smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#Cc1c(Cl)c2ccccc2nc1N1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cccnc1	ZINC001164733615	720431716	/nfs/dbraw/zinc/43/17/16/720431716.db2.gz	PZYUXMSMJJEPBP-UXHICEINSA-N	1	1	389.890	4.008	20	30		GIEDMO
C[C@H]([NH2+]C1(CN[C@H]2CCc3ccc(C#N)cc32)CCOCC1)c1ccccc1	ZINC000570487975	823045034	/nfs/dbraw/zinc/04/50/34/823045034.db2.gz	FKVKAGYSJXIUMC-MBSDFSHPSA-N	1	1	375.516	4.035	20	30		GIEDMO
COc1ccc([C@H]([NH2+][C@@H](C)C(=O)Nc2cccc(C#N)c2)c2ccccc2)cc1	ZINC000055941542	823068815	/nfs/dbraw/zinc/06/88/15/823068815.db2.gz	XKRURSCWISXXNH-GAJHUEQPSA-N	1	1	385.467	4.273	20	30		GIEDMO
COc1ccc([C@@H]([NH2+][C@@H](C)C(=O)Nc2cccc(C#N)c2)c2ccccc2)cc1	ZINC000055941540	823068859	/nfs/dbraw/zinc/06/88/59/823068859.db2.gz	XKRURSCWISXXNH-SBUREZEXSA-N	1	1	385.467	4.273	20	30		GIEDMO
C=CCCC[N@H+](C)CC(=O)N(C)[C@H](C)c1cccc(NC(=O)c2ccccc2)c1	ZINC000121079424	823114625	/nfs/dbraw/zinc/11/46/25/823114625.db2.gz	OAEAJEASYVBVLA-LJQANCHMSA-N	1	1	393.531	4.356	20	30		GIEDMO
C=C(C)[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C)c1ccc(F)c(F)c1	ZINC000187794566	823134495	/nfs/dbraw/zinc/13/44/95/823134495.db2.gz	FRFVFGHOBQAIPW-IBGZPJMESA-N	1	1	375.375	4.027	20	30		GIEDMO
Cc1nc([C@@H](C)[N@@H+](C)CCCc2[nH]nc(N)c2C#N)oc1-c1ccc(Cl)cc1	ZINC000121501099	823195355	/nfs/dbraw/zinc/19/53/55/823195355.db2.gz	BDTCMENXLXARBF-CYBMUJFWSA-N	1	1	398.898	4.106	20	30		GIEDMO
C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)C2(c3ccc(C#N)cc3)CC2)C1	ZINC000188200261	823202335	/nfs/dbraw/zinc/20/23/35/823202335.db2.gz	OEPMLZIWTDMITH-LJQANCHMSA-N	1	1	387.527	4.138	20	30		GIEDMO
C[N@H+]1CCC[C@H](CNC[C@H](C#N)CCC#N)[C@@H]1c1ccc(C(F)(F)F)cc1	ZINC000571599370	823205764	/nfs/dbraw/zinc/20/57/64/823205764.db2.gz	XNVSVNIRVHLFFQ-WDYCEAGBSA-N	1	1	378.442	4.121	20	30		GIEDMO
CC[N@H+]1CC[C@H](CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C1	ZINC000056750697	823207033	/nfs/dbraw/zinc/20/70/33/823207033.db2.gz	XREBZFPVWYCGEG-MRXNPFEDSA-N	1	1	398.894	4.467	20	30		GIEDMO
Cc1nc2scc(C3CC3)n2c1C[N@@H+](C)CCOCc1ccc(C#N)cc1	ZINC000459567202	823221863	/nfs/dbraw/zinc/22/18/63/823221863.db2.gz	JPQUNOROXQNCQY-UHFFFAOYSA-N	1	1	380.517	4.102	20	30		GIEDMO
C=CCc1cc(OCC)cc(C[N@H+]2CCc3c(cccc3NC(C)=O)C2)c1O	ZINC000057090473	823249109	/nfs/dbraw/zinc/24/91/09/823249109.db2.gz	DKWTWQVBQPGNIN-UHFFFAOYSA-N	1	1	380.488	4.036	20	30		GIEDMO
C=CCOc1ccccc1CNC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1	ZINC000176632521	823253354	/nfs/dbraw/zinc/25/33/54/823253354.db2.gz	CZJSSICOQJGOMT-WIYYLYMNSA-N	1	1	399.560	4.195	20	30		GIEDMO
N#Cc1ccc(CN[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)o1	ZINC000459762706	823261876	/nfs/dbraw/zinc/26/18/76/823261876.db2.gz	VKWHGCQRCAVQAH-XZOQPEGZSA-N	1	1	375.447	4.048	20	30		GIEDMO
N#Cc1ccc(CN[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)o1	ZINC000459762706	823261879	/nfs/dbraw/zinc/26/18/79/823261879.db2.gz	VKWHGCQRCAVQAH-XZOQPEGZSA-N	1	1	375.447	4.048	20	30		GIEDMO
C[C@H](Cc1cccc(F)c1)[N@@H+](C)Cc1cn(CCC#N)nc1-c1ccncc1	ZINC000459777622	823263932	/nfs/dbraw/zinc/26/39/32/823263932.db2.gz	XDSODYCOYCFODQ-QGZVFWFLSA-N	1	1	377.467	4.061	20	30		GIEDMO
Cc1cc(C)c(N2CC[C@H]([n+]3ccc(CN4CCCC[C@@H]4C)cc3)C2=O)c(C)c1	ZINC000188685866	823285985	/nfs/dbraw/zinc/28/59/85/823285985.db2.gz	SHAWFNOKVVGNMP-GMAHTHKFSA-N	1	1	392.567	4.252	20	30		GIEDMO
C[C@@H]1CCCC[N@H+]1CCC1CCN(c2ccc(C(F)(F)F)c(C#N)n2)CC1	ZINC000409720001	823290242	/nfs/dbraw/zinc/29/02/42/823290242.db2.gz	LISPNAWMDGELGD-OAHLLOKOSA-N	1	1	380.458	4.453	20	30		GIEDMO
N#CC[C@H](CC(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1ccccc1	ZINC000572174259	823294648	/nfs/dbraw/zinc/29/46/48/823294648.db2.gz	HRPXXZKVNBCEDH-LADGPHEKSA-N	1	1	389.543	4.492	20	30		GIEDMO
N#Cc1ccsc1NC(=O)CC[N@H+]1CCC[C@H]1c1nc2ccccc2s1	ZINC000057450728	823299004	/nfs/dbraw/zinc/29/90/04/823299004.db2.gz	LCVGCHDDAUWHCN-HNNXBMFYSA-N	1	1	382.514	4.395	20	30		GIEDMO
N#Cc1cc(NC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)ccc1F	ZINC000122124471	823309602	/nfs/dbraw/zinc/30/96/02/823309602.db2.gz	MYJLDHRZBSHNFG-GCJKJVERSA-N	1	1	392.478	4.216	20	30		GIEDMO
COc1cc(C[N@H+](Cc2cc(C#N)ccc2F)C2CC2)ccc1OC(F)F	ZINC000011478360	818086026	/nfs/dbraw/zinc/08/60/26/818086026.db2.gz	OXBQIJUYIXRYRI-UHFFFAOYSA-N	1	1	376.378	4.472	20	30		GIEDMO
COc1cc(C[N@@H+](Cc2cc(C#N)ccc2F)C2CC2)ccc1OC(F)F	ZINC000011478360	818086045	/nfs/dbraw/zinc/08/60/45/818086045.db2.gz	OXBQIJUYIXRYRI-UHFFFAOYSA-N	1	1	376.378	4.472	20	30		GIEDMO
N#Cc1ccc(C[NH2+]Cc2cccnc2OCC(F)(F)F)c(C(F)(F)F)c1	ZINC000572327016	823320956	/nfs/dbraw/zinc/32/09/56/823320956.db2.gz	QRFQYAUCLSPDKF-UHFFFAOYSA-N	1	1	389.299	4.203	20	30		GIEDMO
CC(C)Cc1ccc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1	ZINC000023753042	818979998	/nfs/dbraw/zinc/97/99/98/818979998.db2.gz	BSQBFGXXWVOHDR-UHFFFAOYSA-N	1	1	375.516	4.105	20	30		GIEDMO
CC(C)Cc1ccc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1	ZINC000023753042	818980004	/nfs/dbraw/zinc/98/00/04/818980004.db2.gz	BSQBFGXXWVOHDR-UHFFFAOYSA-N	1	1	375.516	4.105	20	30		GIEDMO
C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(c2nc3ccccc3s2)CC1	ZINC000023993040	819004229	/nfs/dbraw/zinc/00/42/29/819004229.db2.gz	SCTJTORVLKXWIC-INIZCTEOSA-N	1	1	396.560	4.207	20	30		GIEDMO
CC(C)(C)[C@@H](C[N@H+]1CCc2ccccc2C1)NC(=O)CCc1ccc(C#N)cc1	ZINC000410053905	823381112	/nfs/dbraw/zinc/38/11/12/823381112.db2.gz	OOMXDGQZFYAMOB-HSZRJFAPSA-N	1	1	389.543	4.080	20	30		GIEDMO
CC(C)[N@H+](Cc1ccc(C#N)cc1)C[C@@H](O)CO[C@@H]1CCCc2ccccc21	ZINC000058396992	823385978	/nfs/dbraw/zinc/38/59/78/823385978.db2.gz	RCVUTDOUZIHKIW-ISKFKSNPSA-N	1	1	378.516	4.224	20	30		GIEDMO
C[C@H]1C[C@H](NC(=O)c2ccccc2SCc2ccc(C#N)cc2)C[N@H+]1C1CC1	ZINC000177159957	823386920	/nfs/dbraw/zinc/38/69/20/823386920.db2.gz	VKLLNFPLQVRATQ-LPHOPBHVSA-N	1	1	391.540	4.206	20	30		GIEDMO
Cc1ccc(C#N)cc1NC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1	ZINC000058452355	823393340	/nfs/dbraw/zinc/39/33/40/823393340.db2.gz	JSUSKCYQDSENGS-QGZVFWFLSA-N	1	1	376.504	4.420	20	30		GIEDMO
C=CCC[C@@H](C(=O)NCC1CC[NH+](Cc2nc(C)c(C)o2)CC1)c1ccccc1	ZINC000189444036	823417841	/nfs/dbraw/zinc/41/78/41/823417841.db2.gz	YLPFYIMRKIAVIZ-JOCHJYFZSA-N	1	1	395.547	4.370	20	30		GIEDMO
Cc1cc(NC(=O)[C@H](C)[N@H+](C)Cc2cccc(C#N)c2)ccc1Br	ZINC000026330407	820084698	/nfs/dbraw/zinc/08/46/98/820084698.db2.gz	SKJHDPRPACKZOV-AWEZNQCLSA-N	1	1	386.293	4.088	20	30		GIEDMO
Cc1cc(NC(=O)[C@H](C)[N@@H+](C)Cc2cccc(C#N)c2)ccc1Br	ZINC000026330407	820084708	/nfs/dbraw/zinc/08/47/08/820084708.db2.gz	SKJHDPRPACKZOV-AWEZNQCLSA-N	1	1	386.293	4.088	20	30		GIEDMO
COCC[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)C1CCCC1	ZINC000026447554	820097673	/nfs/dbraw/zinc/09/76/73/820097673.db2.gz	LJFLYINNHIDRKB-UHFFFAOYSA-N	1	1	389.565	4.108	20	30		GIEDMO
O=C(C[N@H+]1CCC[C@H]1c1cccs1)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000026484070	820104016	/nfs/dbraw/zinc/10/40/16/820104016.db2.gz	IGPICOXYIMBTCC-KRWDZBQOSA-N	1	1	392.446	4.072	20	30		GIEDMO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3cc(Cl)sc3Cl)CC2)cc1	ZINC000029985394	820561415	/nfs/dbraw/zinc/56/14/15/820561415.db2.gz	RIXVRRILONOISS-UHFFFAOYSA-N	1	1	394.327	4.275	20	30		GIEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cc(Cl)sc3Cl)CC2)cc1	ZINC000029985394	820561422	/nfs/dbraw/zinc/56/14/22/820561422.db2.gz	RIXVRRILONOISS-UHFFFAOYSA-N	1	1	394.327	4.275	20	30		GIEDMO
COc1ccc([C@H]([NH2+]CC(=O)Nc2ccc(CC#N)cc2)c2ccc(C)cc2)cc1	ZINC000060089295	823507268	/nfs/dbraw/zinc/50/72/68/823507268.db2.gz	LDBPSSAVYSQHDT-RUZDIDTESA-N	1	1	399.494	4.387	20	30		GIEDMO
COc1ccc([C@@H]([NH2+]CC(=O)Nc2ccc(CC#N)cc2)c2ccc(C)cc2)cc1	ZINC000060089294	823507275	/nfs/dbraw/zinc/50/72/75/823507275.db2.gz	LDBPSSAVYSQHDT-VWLOTQADSA-N	1	1	399.494	4.387	20	30		GIEDMO
C=C(C)Cn1c(-c2ccoc2)nnc1N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1	ZINC000460804439	823517135	/nfs/dbraw/zinc/51/71/35/823517135.db2.gz	QBJQYUAWSPMKHN-IBGZPJMESA-N	1	1	391.519	4.215	20	30		GIEDMO
CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(Sc2ccccc2C#N)cc1	ZINC000177771546	823523711	/nfs/dbraw/zinc/52/37/11/823523711.db2.gz	FJMXJUSQRGTBNT-UXHICEINSA-N	1	1	391.540	4.408	20	30		GIEDMO
N#Cc1ccc(C[NH2+][C@@H]2CCCOc3ccc(Br)cc32)c(F)c1	ZINC000177856354	823536946	/nfs/dbraw/zinc/53/69/46/823536946.db2.gz	AKCBKPYCKGOWHL-QGZVFWFLSA-N	1	1	375.241	4.463	20	30		GIEDMO
N#CC1(NC(=O)C[N@@H+](Cc2ccc(C(F)(F)F)cc2)C2CC2)CCCCC1	ZINC000045006538	821689765	/nfs/dbraw/zinc/68/97/65/821689765.db2.gz	DPJCHVQALQSIKV-UHFFFAOYSA-N	1	1	379.426	4.012	20	30		GIEDMO
N#CC1(NC(=O)C[N@H+](Cc2ccc(C(F)(F)F)cc2)C2CC2)CCCCC1	ZINC000045006538	821689775	/nfs/dbraw/zinc/68/97/75/821689775.db2.gz	DPJCHVQALQSIKV-UHFFFAOYSA-N	1	1	379.426	4.012	20	30		GIEDMO
C=CCc1cc(C[N@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)c(O)c(OC)c1	ZINC000181466353	821838852	/nfs/dbraw/zinc/83/88/52/821838852.db2.gz	YFTPSAXFRBCIEU-INIZCTEOSA-N	1	1	395.425	4.182	20	30		GIEDMO
Cc1c(C)n(C2CCCCC2)c(NC(=O)C[NH2+][C@H](C)c2ccccn2)c1C#N	ZINC000181795991	821995886	/nfs/dbraw/zinc/99/58/86/821995886.db2.gz	RBGZLZJOKFVDHQ-MRXNPFEDSA-N	1	1	379.508	4.166	20	30		GIEDMO
C[C@@H]([NH2+][C@@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1)c1cccc(C#N)c1	ZINC000181836734	822012606	/nfs/dbraw/zinc/01/26/06/822012606.db2.gz	DTSORTDGIOXQHQ-HXOBKFHXSA-N	1	1	390.508	4.402	20	30		GIEDMO
CC(C)C[N@H+]1CC[C@H](CNC(=O)c2ccccc2Oc2ccccc2C#N)C1	ZINC000182180487	822135986	/nfs/dbraw/zinc/13/59/86/822135986.db2.gz	NRDNWYMRLPYXGL-GOSISDBHSA-N	1	1	377.488	4.058	20	30		GIEDMO
CC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C1	ZINC000178032239	822290802	/nfs/dbraw/zinc/29/08/02/822290802.db2.gz	ULFNULHTVRKTHJ-SFHVURJKSA-N	1	1	378.476	4.156	20	30		GIEDMO
CC[N@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)[C@@H](C)c1cccc(O)c1	ZINC000178379569	822373112	/nfs/dbraw/zinc/37/31/12/822373112.db2.gz	NPWMSOQJTUVXTD-INIZCTEOSA-N	1	1	385.895	4.375	20	30		GIEDMO
CC[N@@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)[C@@H](C)c1cccc(O)c1	ZINC000178379569	822373116	/nfs/dbraw/zinc/37/31/16/822373116.db2.gz	NPWMSOQJTUVXTD-INIZCTEOSA-N	1	1	385.895	4.375	20	30		GIEDMO
C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N(C)Cc3cccc(C#N)c3)cc2)C1	ZINC000045788002	822413780	/nfs/dbraw/zinc/41/37/80/822413780.db2.gz	WXBIVNOOEVTLOC-LJQANCHMSA-N	1	1	390.531	4.132	20	30		GIEDMO
C[N@H+](Cc1cn(CCC#N)nc1-c1ccccc1)Cc1ccccc1[N+](=O)[O-]	ZINC000179315060	822464969	/nfs/dbraw/zinc/46/49/69/822464969.db2.gz	TXFGHZWTXBLTPV-UHFFFAOYSA-N	1	1	375.432	4.004	20	30		GIEDMO
C[N@@H+](Cc1cn(CCC#N)nc1-c1ccccc1)Cc1ccccc1[N+](=O)[O-]	ZINC000179315060	822464973	/nfs/dbraw/zinc/46/49/73/822464973.db2.gz	TXFGHZWTXBLTPV-UHFFFAOYSA-N	1	1	375.432	4.004	20	30		GIEDMO
C[C@@H](C(=O)N(c1nccs1)C1CCCCC1)[N@H+](C)Cc1cccc(C#N)c1	ZINC000046518375	822480463	/nfs/dbraw/zinc/48/04/63/822480463.db2.gz	VNYWXRHQQAZBOV-INIZCTEOSA-N	1	1	382.533	4.201	20	30		GIEDMO
C[C@@H](C(=O)N(c1nccs1)C1CCCCC1)[N@@H+](C)Cc1cccc(C#N)c1	ZINC000046518375	822480465	/nfs/dbraw/zinc/48/04/65/822480465.db2.gz	VNYWXRHQQAZBOV-INIZCTEOSA-N	1	1	382.533	4.201	20	30		GIEDMO
C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+](C)Cc1ccc(C#N)cc1	ZINC000046528587	822481641	/nfs/dbraw/zinc/48/16/41/822481641.db2.gz	QFCKQTNSFLMMET-OAHLLOKOSA-N	1	1	392.528	4.219	20	30		GIEDMO
C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+](C)Cc1ccc(C#N)cc1	ZINC000046528587	822481645	/nfs/dbraw/zinc/48/16/45/822481645.db2.gz	QFCKQTNSFLMMET-OAHLLOKOSA-N	1	1	392.528	4.219	20	30		GIEDMO
C[N@H+]1CC[C@@H](CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C1	ZINC000454480020	822482127	/nfs/dbraw/zinc/48/21/27/822482127.db2.gz	GPEKUOMBCZFDOL-KXBFYZLASA-N	1	1	382.895	4.069	20	30		GIEDMO
CC[N@@H+](Cc1ccc(OCc2noc(C)n2)cc1)[C@H](C)c1ccc(C#N)cc1	ZINC000179464251	822486560	/nfs/dbraw/zinc/48/65/60/822486560.db2.gz	QQSNKBLQXPMDIY-MRXNPFEDSA-N	1	1	376.460	4.412	20	30		GIEDMO
CC[N@@H+](Cc1c[nH]nc1-c1ccc2c(c1)OCCO2)[C@H](C)c1ccc(C#N)cc1	ZINC000179464608	822486567	/nfs/dbraw/zinc/48/65/67/822486567.db2.gz	IDRAJVHSARLWFX-MRXNPFEDSA-N	1	1	388.471	4.303	20	30		GIEDMO
Cc1csc([C@@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C2CC2)n1	ZINC000183544836	822492869	/nfs/dbraw/zinc/49/28/69/822492869.db2.gz	ILRARQARWZPAAQ-PXNSSMCTSA-N	1	1	396.560	4.444	20	30		GIEDMO
CC[C@@H]([NH2+][C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)c1cc(F)ccc1F	ZINC000179773117	822549779	/nfs/dbraw/zinc/54/97/79/822549779.db2.gz	WXJKDUPNJRFJKF-PIGZYNQJSA-N	1	1	389.471	4.455	20	30		GIEDMO
C[C@@H](C[N@H+](C)CC(=O)Nc1sc2c(c1C#N)CCCCC2)c1nccs1	ZINC000183948656	822552310	/nfs/dbraw/zinc/55/23/10/822552310.db2.gz	TYSSNQOKILCHQP-ZDUSSCGKSA-N	1	1	388.562	4.019	20	30		GIEDMO
C[C@@H](C[N@@H+](C)CC(=O)Nc1sc2c(c1C#N)CCCCC2)c1nccs1	ZINC000183948656	822552313	/nfs/dbraw/zinc/55/23/13/822552313.db2.gz	TYSSNQOKILCHQP-ZDUSSCGKSA-N	1	1	388.562	4.019	20	30		GIEDMO
C[C@H](C[N@H+](C)CC(=O)Nc1sc2c(c1C#N)CCCCC2)c1nccs1	ZINC000183948676	822552322	/nfs/dbraw/zinc/55/23/22/822552322.db2.gz	TYSSNQOKILCHQP-CYBMUJFWSA-N	1	1	388.562	4.019	20	30		GIEDMO
C[C@H](C[N@@H+](C)CC(=O)Nc1sc2c(c1C#N)CCCCC2)c1nccs1	ZINC000183948676	822552325	/nfs/dbraw/zinc/55/23/25/822552325.db2.gz	TYSSNQOKILCHQP-CYBMUJFWSA-N	1	1	388.562	4.019	20	30		GIEDMO
Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+](C)C[C@@H](C)c2nccs2)c1	ZINC000183954215	822553437	/nfs/dbraw/zinc/55/34/37/822553437.db2.gz	ILHUVEKXYNJLPY-QZTJIDSGSA-N	1	1	384.549	4.131	20	30		GIEDMO
Cc1cc(N(CCC#N)C(=O)C[N@@H+](C)C[C@@H](C)c2nccs2)ccc1Cl	ZINC000184020582	822565595	/nfs/dbraw/zinc/56/55/95/822565595.db2.gz	UUMKJFNZJKYRFY-OAHLLOKOSA-N	1	1	390.940	4.087	20	30		GIEDMO
Cc1cc(N(CCC#N)C(=O)C[N@H+](C)C[C@@H](C)c2nccs2)ccc1Cl	ZINC000184020582	822565598	/nfs/dbraw/zinc/56/55/98/822565598.db2.gz	UUMKJFNZJKYRFY-OAHLLOKOSA-N	1	1	390.940	4.087	20	30		GIEDMO
Cc1cc2occ(C(=O)N3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)c2cc1C	ZINC000184036370	822568645	/nfs/dbraw/zinc/56/86/45/822568645.db2.gz	MEIQRCBSGSHCJH-UHFFFAOYSA-N	1	1	387.483	4.269	20	30		GIEDMO
Cc1cc2occ(C(=O)N3CCC[N@@H+](Cc4ccc(C#N)cc4)CC3)c2cc1C	ZINC000184036370	822568648	/nfs/dbraw/zinc/56/86/48/822568648.db2.gz	MEIQRCBSGSHCJH-UHFFFAOYSA-N	1	1	387.483	4.269	20	30		GIEDMO
C=CC[N@@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)Cc1cccc([N+](=O)[O-])c1	ZINC000180009818	822595325	/nfs/dbraw/zinc/59/53/25/822595325.db2.gz	VMCXKNIXVHUBFY-UHFFFAOYSA-N	1	1	387.443	4.055	20	30		GIEDMO
C=CC[N@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)Cc1cccc([N+](=O)[O-])c1	ZINC000180009818	822595328	/nfs/dbraw/zinc/59/53/28/822595328.db2.gz	VMCXKNIXVHUBFY-UHFFFAOYSA-N	1	1	387.443	4.055	20	30		GIEDMO
C=CCC[C@@H]([NH2+]Cc1csc(-c2c(C)c(C)nn(C)c2=O)n1)c1ccccc1	ZINC000180036260	822602061	/nfs/dbraw/zinc/60/20/61/822602061.db2.gz	DQXXVUSBCHWBBF-LJQANCHMSA-N	1	1	394.544	4.318	20	30		GIEDMO
C[N@H+]1CC[C@H](NC(=O)c2ccccc2-c2ccccc2C#N)[C@@H]1c1ccccc1	ZINC000180113180	822617939	/nfs/dbraw/zinc/61/79/39/822617939.db2.gz	XKHFPKZJXFNZGJ-ZEQRLZLVSA-N	1	1	381.479	4.400	20	30		GIEDMO
CC[C@H]([NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2)c1nc(C)cs1	ZINC000184394122	822627851	/nfs/dbraw/zinc/62/78/51/822627851.db2.gz	UJJSCDBZKYVXAN-HNNXBMFYSA-N	1	1	388.562	4.333	20	30		GIEDMO
CC(C)Sc1ccc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1	ZINC000048346155	822654927	/nfs/dbraw/zinc/65/49/27/822654927.db2.gz	XOTLOYPNBSHDEH-UHFFFAOYSA-N	1	1	393.556	4.407	20	30		GIEDMO
CC(C)Sc1ccc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1	ZINC000048346155	822654930	/nfs/dbraw/zinc/65/49/30/822654930.db2.gz	XOTLOYPNBSHDEH-UHFFFAOYSA-N	1	1	393.556	4.407	20	30		GIEDMO
C[C@H](NC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1)c1ccc(C#N)cc1	ZINC000048828531	822684929	/nfs/dbraw/zinc/68/49/29/822684929.db2.gz	ZCXNPXKELSQUOV-MOPGFXCFSA-N	1	1	390.531	4.351	20	30		GIEDMO
CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(CC#N)cc1Cl	ZINC000455700705	822706305	/nfs/dbraw/zinc/70/63/05/822706305.db2.gz	IVIVGFIXZIRQHO-IBGZPJMESA-N	1	1	396.922	4.392	20	30		GIEDMO
CN(C(=O)Nc1ccc(CC#N)cc1Cl)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000455706818	822708472	/nfs/dbraw/zinc/70/84/72/822708472.db2.gz	QTUVKKOUBGKUKK-GOSISDBHSA-N	1	1	382.895	4.144	20	30		GIEDMO
C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)Nc2cnc(C#N)c(Cl)c2)CC1	ZINC000455775441	822724437	/nfs/dbraw/zinc/72/44/37/822724437.db2.gz	DEANLPXIRWIGAR-OAHLLOKOSA-N	1	1	389.931	4.115	20	30		GIEDMO
C[C@H]1C[C@@H](N(C)C(=O)Nc2cccc(CC#N)c2)CC[N@H+]1Cc1ccccc1	ZINC000455921420	822749895	/nfs/dbraw/zinc/74/98/95/822749895.db2.gz	OTJLIZXCUVGFRC-AVRDEDQJSA-N	1	1	376.504	4.269	20	30		GIEDMO
CC[N@H+]1CCCN(C(=O)Nc2ccc(Sc3ccccc3C#N)cc2)CC1	ZINC000455951462	822756864	/nfs/dbraw/zinc/75/68/64/822756864.db2.gz	ZRDHQWHCYVVQAC-UHFFFAOYSA-N	1	1	380.517	4.269	20	30		GIEDMO
Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CC=C(c3ccc(O)cc3)CC2)c1C	ZINC000052307040	822795819	/nfs/dbraw/zinc/79/58/19/822795819.db2.gz	HWQSHUHGIYIPMP-UHFFFAOYSA-N	1	1	389.499	4.045	20	30		GIEDMO
Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CC=C(c3ccc(O)cc3)CC2)c1C	ZINC000052307040	822795820	/nfs/dbraw/zinc/79/58/20/822795820.db2.gz	HWQSHUHGIYIPMP-UHFFFAOYSA-N	1	1	389.499	4.045	20	30		GIEDMO
CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000174527178	822801363	/nfs/dbraw/zinc/80/13/63/822801363.db2.gz	SGPRPBOCUUGOQG-KRWDZBQOSA-N	1	1	382.895	4.197	20	30		GIEDMO
CC[N@H+](CC(=O)N(CCC#N)c1cccc(C)c1C)[C@H](C)c1cccc(O)c1	ZINC000174622346	822813693	/nfs/dbraw/zinc/81/36/93/822813693.db2.gz	WRTPVIZUCMXSSA-LJQANCHMSA-N	1	1	379.504	4.339	20	30		GIEDMO
CC[N@@H+](CC(=O)N(CCC#N)c1cccc(C)c1C)[C@H](C)c1cccc(O)c1	ZINC000174622346	822813696	/nfs/dbraw/zinc/81/36/96/822813696.db2.gz	WRTPVIZUCMXSSA-LJQANCHMSA-N	1	1	379.504	4.339	20	30		GIEDMO
Cc1ccc(NC(=O)NC[C@H]2CCC[N@@H+](Cc3ccc(C#N)cc3C)C2)cc1	ZINC000186286972	822870954	/nfs/dbraw/zinc/87/09/54/822870954.db2.gz	SLLOBLRTWPUTDQ-HXUWFJFHSA-N	1	1	376.504	4.209	20	30		GIEDMO
CC[C@H](C)Oc1ccc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1	ZINC000175185243	822900336	/nfs/dbraw/zinc/90/03/36/822900336.db2.gz	GSGLTHJCUWLCAU-IBGZPJMESA-N	1	1	391.515	4.084	20	30		GIEDMO
CC[C@H](C)Oc1ccc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1	ZINC000175185243	822900340	/nfs/dbraw/zinc/90/03/40/822900340.db2.gz	GSGLTHJCUWLCAU-IBGZPJMESA-N	1	1	391.515	4.084	20	30		GIEDMO
COc1ccc(F)cc1[C@@H](C)[NH2+][C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000055152479	822941558	/nfs/dbraw/zinc/94/15/58/822941558.db2.gz	CIBRPDQUHZKGKW-VXGBXAGGSA-N	1	1	375.831	4.037	20	30		GIEDMO
CCc1nc2c(s1)[C@@H]([N@H+](C)[C@H]1CCCN(c3ccc(C#N)cc3)C1=O)CCC2	ZINC000569897971	822982845	/nfs/dbraw/zinc/98/28/45/822982845.db2.gz	SJFMCFURIQNFMG-OALUTQOASA-N	1	1	394.544	4.082	20	30		GIEDMO
CCc1nc2c(s1)[C@@H]([N@@H+](C)[C@H]1CCCN(c3ccc(C#N)cc3)C1=O)CCC2	ZINC000569897971	822982849	/nfs/dbraw/zinc/98/28/49/822982849.db2.gz	SJFMCFURIQNFMG-OALUTQOASA-N	1	1	394.544	4.082	20	30		GIEDMO
COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH+]1CCC(c2ccsc2)CC1	ZINC000186956310	822986716	/nfs/dbraw/zinc/98/67/16/822986716.db2.gz	ILHHRYZRHAOCPS-KRWDZBQOSA-N	1	1	397.544	4.271	20	30		GIEDMO
Cc1ccc(N2CCC(C(=O)NC3(C#N)CCC(C(C)(C)C)CC3)CC2)[nH+]c1	ZINC000187285426	823036861	/nfs/dbraw/zinc/03/68/61/823036861.db2.gz	ZIDBUKJBIQQUCT-UHFFFAOYSA-N	1	1	382.552	4.221	20	30		GIEDMO
C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1ccc(Sc2ccccc2C#N)cc1	ZINC000175774551	823037151	/nfs/dbraw/zinc/03/71/51/823037151.db2.gz	HGJGLLOQSSHZOO-JXFKEZNVSA-N	1	1	379.529	4.122	20	30		GIEDMO
C=C(C)Cn1c([C@H](C)CC)nnc1N1CCC[N@@H+](Cc2ccc(F)cc2)CC1	ZINC000460952376	823549534	/nfs/dbraw/zinc/54/95/34/823549534.db2.gz	OPRCLDXULWNKDW-GOSISDBHSA-N	1	1	385.531	4.219	20	30		GIEDMO
C=CC[N@H+](Cc1cccc(C#N)c1)[C@H](C)C(=O)N1CCC[C@H]1c1cccs1	ZINC000411194254	823556151	/nfs/dbraw/zinc/55/61/51/823556151.db2.gz	PTAJJZLQSYDNFB-XLIONFOSSA-N	1	1	379.529	4.360	20	30		GIEDMO
C=CC[N@@H+](Cc1cccc(C#N)c1)[C@H](C)C(=O)N1CCC[C@H]1c1cccs1	ZINC000411194254	823556152	/nfs/dbraw/zinc/55/61/52/823556152.db2.gz	PTAJJZLQSYDNFB-XLIONFOSSA-N	1	1	379.529	4.360	20	30		GIEDMO
CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1ccccc1SCc1ccc(C#N)cc1	ZINC000461036017	823563013	/nfs/dbraw/zinc/56/30/13/823563013.db2.gz	DOLDGDLGGJHLKZ-QGZVFWFLSA-N	1	1	381.545	4.309	20	30		GIEDMO
N#CCCCOc1cccc(C[N@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)c1	ZINC000124137192	823570878	/nfs/dbraw/zinc/57/08/78/823570878.db2.gz	JVJHXIYZFOFJLE-FQEVSTJZSA-N	1	1	393.535	4.067	20	30		GIEDMO
C[C@H](c1cccnc1)[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2	ZINC000411413258	823571393	/nfs/dbraw/zinc/57/13/93/823571393.db2.gz	CVIUZFHIRPHMHK-HUUCEWRRSA-N	1	1	382.533	4.161	20	30		GIEDMO
CCC[N@@H+](CC(=O)N(C)Cc1ccc(Cl)s1)Cc1ccc(C#N)cc1	ZINC000061001642	823572153	/nfs/dbraw/zinc/57/21/53/823572153.db2.gz	JBUYAISESBMWPA-UHFFFAOYSA-N	1	1	375.925	4.144	20	30		GIEDMO
COc1cc(C#N)ccc1C[NH2+][C@H](C)c1ccc(Br)cc1OC	ZINC000190449180	823576022	/nfs/dbraw/zinc/57/60/22/823576022.db2.gz	PJAKFJMZOUJZSQ-GFCCVEGCSA-N	1	1	375.266	4.189	20	30		GIEDMO
C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+](Cc3ccccn3)C3CC3)sc2C1	ZINC000411456837	823576808	/nfs/dbraw/zinc/57/68/08/823576808.db2.gz	ZVVBGSMULKSNTK-OAHLLOKOSA-N	1	1	394.544	4.133	20	30		GIEDMO
C=CC[N@@H+](CCc1ccco1)[C@@H](C)C(=O)Nc1ccccc1Br	ZINC000411482054	823580017	/nfs/dbraw/zinc/58/00/17/823580017.db2.gz	BWDUKAZWHPYUDO-AWEZNQCLSA-N	1	1	377.282	4.100	20	30		GIEDMO
C=CC[N@H+](CCc1ccco1)[C@@H](C)C(=O)Nc1ccccc1Br	ZINC000411482054	823580021	/nfs/dbraw/zinc/58/00/21/823580021.db2.gz	BWDUKAZWHPYUDO-AWEZNQCLSA-N	1	1	377.282	4.100	20	30		GIEDMO
C[C@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cccc(Cl)c1Cl	ZINC000190620666	823592492	/nfs/dbraw/zinc/59/24/92/823592492.db2.gz	OUWLLLWKCXXVKP-UGSOOPFHSA-N	1	1	388.298	4.317	20	30		GIEDMO
N#Cc1ccccc1NC(=O)CC[N@H+]1CCC[C@H]1c1nc2cc(Cl)ccc2[nH]1	ZINC000411734217	823600964	/nfs/dbraw/zinc/60/09/64/823600964.db2.gz	SOWLMKNWNZCQAA-IBGZPJMESA-N	1	1	393.878	4.254	20	30		GIEDMO
N#Cc1ccccc1NC(=O)CC[N@@H+]1CCC[C@H]1c1nc2cc(Cl)ccc2[nH]1	ZINC000411734217	823600965	/nfs/dbraw/zinc/60/09/65/823600965.db2.gz	SOWLMKNWNZCQAA-IBGZPJMESA-N	1	1	393.878	4.254	20	30		GIEDMO
CN(CC[C@H]1CCCC[N@H+]1C)C(=O)c1cccc(COc2ccc(C#N)cc2)c1	ZINC000461257085	823606174	/nfs/dbraw/zinc/60/61/74/823606174.db2.gz	LBMFAJJMWLCQBV-JOCHJYFZSA-N	1	1	391.515	4.084	20	30		GIEDMO
CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)c1cccc(COc2ccc(C#N)cc2)c1	ZINC000461257086	823606230	/nfs/dbraw/zinc/60/62/30/823606230.db2.gz	LBMFAJJMWLCQBV-QFIPXVFZSA-N	1	1	391.515	4.084	20	30		GIEDMO
CN(CC[C@H]1CCCC[N@H+]1C)C(=O)c1cccc(OCc2ccccc2C#N)c1	ZINC000461258807	823606513	/nfs/dbraw/zinc/60/65/13/823606513.db2.gz	RKELAIBFWSSLRW-JOCHJYFZSA-N	1	1	391.515	4.084	20	30		GIEDMO
CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)C1	ZINC000124704411	823619136	/nfs/dbraw/zinc/61/91/36/823619136.db2.gz	GQUULRKHXABXJY-HXUWFJFHSA-N	1	1	391.515	4.463	20	30		GIEDMO
C[NH+]1CCN(c2ccc(NCc3cccc(OCCCC#N)c3)cc2Cl)CC1	ZINC000124773345	823625235	/nfs/dbraw/zinc/62/52/35/823625235.db2.gz	IWPHOUJYRWADCZ-UHFFFAOYSA-N	1	1	398.938	4.386	20	30		GIEDMO
N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)c1	ZINC000412194746	823634523	/nfs/dbraw/zinc/63/45/23/823634523.db2.gz	ONLXPPUPKFWUPG-RCTAOEEJSA-N	1	1	399.538	4.175	20	30		GIEDMO
C=CC[N@H+](CCCc1nc(-c2cccs2)no1)Cc1cccc([N+](=O)[O-])c1	ZINC000063297531	823660667	/nfs/dbraw/zinc/66/06/67/823660667.db2.gz	URPUEXVZLMNLBT-UHFFFAOYSA-N	1	1	384.461	4.327	20	30		GIEDMO
CC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@H](C)c1ccc(C#N)cc1	ZINC000063506799	823676921	/nfs/dbraw/zinc/67/69/21/823676921.db2.gz	SJZDGCVYXGEOTB-MRXNPFEDSA-N	1	1	380.448	4.187	20	30		GIEDMO
C=CCc1cccc(C(C)C)c1NC(=O)NC(C)(C)CCN1CC[NH+](C)CC1	ZINC000191465792	823688305	/nfs/dbraw/zinc/68/83/05/823688305.db2.gz	IJMGCUCPEMIFEP-UHFFFAOYSA-N	1	1	386.584	4.076	20	30		GIEDMO
CC[N@@H+](CC(=O)NCc1ccc(COC(C)C)cc1)[C@@H](C)c1ccc(C#N)cc1	ZINC000125748276	823703617	/nfs/dbraw/zinc/70/36/17/823703617.db2.gz	KUGIBCMKWFFHSJ-IBGZPJMESA-N	1	1	393.531	4.183	20	30		GIEDMO
C[C@@H]1C[C@@H](CCNC(=O)N2CCC(CCC#N)CC2)C[N@H+]1Cc1ccccc1	ZINC000574395844	823719070	/nfs/dbraw/zinc/71/90/70/823719070.db2.gz	ONJCOGFHLRJEHK-DENIHFKCSA-N	1	1	382.552	4.012	20	30		GIEDMO
C=CCn1c(C2CCC2)nnc1N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2	ZINC000574488496	823745556	/nfs/dbraw/zinc/74/55/56/823745556.db2.gz	YPTYQZKQFFQEOP-XMMPIXPASA-N	1	1	391.563	4.224	20	30		GIEDMO
C[C@@H](C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1)c1cccc(C#N)c1	ZINC000461910135	823750423	/nfs/dbraw/zinc/75/04/23/823750423.db2.gz	TVOPBQTVGXASRV-RTBURBONSA-N	1	1	375.516	4.210	20	30		GIEDMO
N#CCCN(C(=O)C[NH2+]C1(c2nccs2)CCCC1)c1cccc(Cl)c1	ZINC000163948135	823764415	/nfs/dbraw/zinc/76/44/15/823764415.db2.gz	DVYXEXSNDNMGFJ-UHFFFAOYSA-N	1	1	388.924	4.102	20	30		GIEDMO
CC[C@](C)([NH2+]CC(=O)N(CCC#N)c1ccc(C)c(C)c1)c1nc(C)cs1	ZINC000163949765	823764809	/nfs/dbraw/zinc/76/48/09/823764809.db2.gz	BJFSUTBIYNXHGQ-NRFANRHFSA-N	1	1	384.549	4.230	20	30		GIEDMO
Cc1nc(C(C)(C)[NH2+]CC(=O)N(CCC#N)c2cccc(Cl)c2)sc1C	ZINC000163951621	823765127	/nfs/dbraw/zinc/76/51/27/823765127.db2.gz	LUNBHLCGJSACOW-UHFFFAOYSA-N	1	1	390.940	4.185	20	30		GIEDMO
C[C@H](C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1cccc(C#N)c1	ZINC000462122508	823835980	/nfs/dbraw/zinc/83/59/80/823835980.db2.gz	KQXVGOWOLNQVSC-MSYCTHLASA-N	1	1	375.516	4.173	20	30		GIEDMO
N#Cc1ccc(-c2nnc(C[NH2+][C@@H]3CCO[C@H]3c3ccc(Cl)c(F)c3)o2)cc1	ZINC000192085454	823855235	/nfs/dbraw/zinc/85/52/35/823855235.db2.gz	KIEHAQCHSUSEKU-MJGOQNOKSA-N	1	1	398.825	4.021	20	30		GIEDMO
Cc1oc(NC(=O)C[N@H+](CC(C)C)[C@H]2CCCc3cccnc32)c(C#N)c1C	ZINC000126927916	823982983	/nfs/dbraw/zinc/98/29/83/823982983.db2.gz	SCGNMEJYAFILPK-IBGZPJMESA-N	1	1	380.492	4.137	20	30		GIEDMO
C[C@@H]1CN(C(F)(F)c2cnc(Cl)c(-c3cccc(C#N)c3)c2)[C@@H](C)C[N@@H+]1C	ZINC001164633339	719257309	/nfs/dbraw/zinc/25/73/09/719257309.db2.gz	LBKSRVDYCPRDIJ-KGLIPLIRSA-N	1	1	390.865	4.347	20	30		GIEDMO
C[C@@H]1CN(C(F)(F)c2cnc(Cl)c(-c3cccc(C#N)c3)c2)[C@@H](C)C[N@H+]1C	ZINC001164633339	719257311	/nfs/dbraw/zinc/25/73/11/719257311.db2.gz	LBKSRVDYCPRDIJ-KGLIPLIRSA-N	1	1	390.865	4.347	20	30		GIEDMO
C=CCOc1ccc(C[NH2+][C@@H](c2cnn(C)c2)c2ccc(F)cc2)cc1OC	ZINC000187521558	823080644	/nfs/dbraw/zinc/08/06/44/823080644.db2.gz	UOBNOXCMUFWYRD-JOCHJYFZSA-N	1	1	381.451	4.012	20	30		GIEDMO
N#Cc1csc(C[NH2+]Cc2cc(Br)ccc2Br)c1	ZINC000187576093	823091145	/nfs/dbraw/zinc/09/11/45/823091145.db2.gz	SCFIUPYABRLDCE-UHFFFAOYSA-N	1	1	386.112	4.435	20	30		GIEDMO
C=C(C)[C@@H]([NH2+][C@@H](C)C(=O)Nc1cc(OC)ccc1OC)c1ccc(F)c(F)c1	ZINC000187757039	823126451	/nfs/dbraw/zinc/12/64/51/823126451.db2.gz	FLKIJIHYSUJCRG-RNODOKPDSA-N	1	1	390.430	4.216	20	30		GIEDMO
C=CCC1(CNC(=O)N2CC[C@@H](C[N@H+](C)Cc3scnc3C)C2)CCCC1	ZINC000459094590	823127378	/nfs/dbraw/zinc/12/73/78/823127378.db2.gz	HJGYJRQWDMQRLV-SFHVURJKSA-N	1	1	390.597	4.051	20	30		GIEDMO
CCN(C(=O)NCc1ccc(C#N)c(F)c1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1	ZINC000459109290	823129049	/nfs/dbraw/zinc/12/90/49/823129049.db2.gz	DVNLMNPAALWIQF-UWJYYQICSA-N	1	1	394.494	4.064	20	30		GIEDMO
C=C(C)[C@H]([NH2+][C@H](C)C(=O)Nc1ccc(OC)cc1OC)c1ccc(F)c(F)c1	ZINC000187770572	823129667	/nfs/dbraw/zinc/12/96/67/823129667.db2.gz	VZICOHBJZOTKPO-XCLFUZPHSA-N	1	1	390.430	4.216	20	30		GIEDMO
C=C(C)[C@H]([NH2+]CC(=O)N(C)c1nc2ccccc2s1)c1ccc(F)c(F)c1	ZINC000187784329	823132217	/nfs/dbraw/zinc/13/22/17/823132217.db2.gz	JQFDZCZVNVRBAW-IBGZPJMESA-N	1	1	387.455	4.444	20	30		GIEDMO
C=C(C)[C@@H]([NH2+]CC(=O)N(C)c1nc2ccccc2s1)c1ccc(F)c(F)c1	ZINC000187784347	823132370	/nfs/dbraw/zinc/13/23/70/823132370.db2.gz	JQFDZCZVNVRBAW-LJQANCHMSA-N	1	1	387.455	4.444	20	30		GIEDMO
C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)cc1	ZINC000176155044	823138019	/nfs/dbraw/zinc/13/80/19/823138019.db2.gz	STIFSMSQIWEPBK-HXUWFJFHSA-N	1	1	395.547	4.094	20	30		GIEDMO
Cc1nc([C@H](C)[N@@H+](C)CCCc2[nH]nc(N)c2C#N)oc1-c1ccc(Cl)cc1	ZINC000121501235	823195385	/nfs/dbraw/zinc/19/53/85/823195385.db2.gz	BDTCMENXLXARBF-ZDUSSCGKSA-N	1	1	398.898	4.106	20	30		GIEDMO
C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)C1(c2ccc(C#N)cc2)CC1	ZINC000188201208	823202555	/nfs/dbraw/zinc/20/25/55/823202555.db2.gz	KZSZPXQASMSVTJ-IBGZPJMESA-N	1	1	387.527	4.281	20	30		GIEDMO
Cc1cccc([C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C(=O)NCCCCC#N)c1	ZINC000571585586	823204109	/nfs/dbraw/zinc/20/41/09/823204109.db2.gz	LKNLSPIXAPONAM-PKTZIBPZSA-N	1	1	375.516	4.021	20	30		GIEDMO
C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@]2(CCSC2)C1	ZINC000571989832	823266223	/nfs/dbraw/zinc/26/62/23/823266223.db2.gz	PETYGFFRJPJFIA-OXJNMPFZSA-N	1	1	389.590	4.096	20	30		GIEDMO
C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCC[C@@]2(CCSC2)C1	ZINC000571989832	823266228	/nfs/dbraw/zinc/26/62/28/823266228.db2.gz	PETYGFFRJPJFIA-OXJNMPFZSA-N	1	1	389.590	4.096	20	30		GIEDMO
N#Cc1cc(Br)ccc1N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1	ZINC000409671278	823279450	/nfs/dbraw/zinc/27/94/50/823279450.db2.gz	VFFRPTNMKGNUJY-CQSZACIVSA-N	1	1	385.309	4.238	20	30		GIEDMO
C=CCC(C)(C)C(=O)Nc1cc(NC(=O)C[N@H+]2CCCC[C@H]2C)ccc1F	ZINC000460027539	823280684	/nfs/dbraw/zinc/28/06/84/823280684.db2.gz	SPVYCYZGEQPVGB-OAHLLOKOSA-N	1	1	375.488	4.179	20	30		GIEDMO
C=CCC(C)(C)C(=O)Nc1cc(NC(=O)C[N@@H+]2CCCC[C@H]2C)ccc1F	ZINC000460027539	823280687	/nfs/dbraw/zinc/28/06/87/823280687.db2.gz	SPVYCYZGEQPVGB-OAHLLOKOSA-N	1	1	375.488	4.179	20	30		GIEDMO
OC[C@]1(Cc2ccc(F)cc2)CC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1	ZINC000572280142	823312653	/nfs/dbraw/zinc/31/26/53/823312653.db2.gz	JWUPNTLBGJFZJU-NRFANRHFSA-N	1	1	391.408	4.123	20	30		GIEDMO
C[C@@H](NC(=O)CO[NH+]=C(N)C12CC3CC(CC(C3)C1)C2)c1ccc(Cl)cc1	ZINC000014371117	818239284	/nfs/dbraw/zinc/23/92/84/818239284.db2.gz	JWAKJSSJVLXAJF-BUBBNXEVSA-N	1	1	389.927	4.022	20	30		GIEDMO
Cc1ccc(NC(=O)CO[NH+]=C(N)C23CC4CC(CC(C4)C2)C3)c(Cl)c1	ZINC000015397216	818321117	/nfs/dbraw/zinc/32/11/17/818321117.db2.gz	MSWDCQKEVNHWPP-UHFFFAOYSA-N	1	1	375.900	4.092	20	30		GIEDMO
Cc1ccc(Cl)cc1NC(=O)CO[NH+]=C(N)C12CC3CC(CC(C3)C1)C2	ZINC000015397227	818321208	/nfs/dbraw/zinc/32/12/08/818321208.db2.gz	MVUMUAQMIFQZPP-UHFFFAOYSA-N	1	1	375.900	4.092	20	30		GIEDMO
CNC(=O)CC[C@H]1CCCC[N@H+]1Cc1cccc(OCc2ccccc2C#N)c1	ZINC000572387960	823331270	/nfs/dbraw/zinc/33/12/70/823331270.db2.gz	CRMVVRFEPGHOFZ-JOCHJYFZSA-N	1	1	391.515	4.018	20	30		GIEDMO
C=CCn1c(=S)n(C[N@@H+]2CCC[C@@H]2Cc2ccccc2)nc1-c1ccncc1	ZINC000122277400	823331465	/nfs/dbraw/zinc/33/14/65/823331465.db2.gz	AZRAJZZHXJYAHD-HXUWFJFHSA-N	1	1	391.544	4.327	20	30		GIEDMO
C=CCn1c(=S)n(C[N@H+]2CCC[C@@H]2Cc2ccccc2)nc1-c1ccncc1	ZINC000122277400	823331471	/nfs/dbraw/zinc/33/14/71/823331471.db2.gz	AZRAJZZHXJYAHD-HXUWFJFHSA-N	1	1	391.544	4.327	20	30		GIEDMO
C=CCc1cc(C[N@@H+]2CCC[C@H]2c2cc(OC)ccc2OC)c(O)c(OC)c1	ZINC000016874117	818485849	/nfs/dbraw/zinc/48/58/49/818485849.db2.gz	NPHBDLYQHCJVAB-FQEVSTJZSA-N	1	1	383.488	4.484	20	30		GIEDMO
C[C@@H]1C[C@H](NC(=O)c2ccccc2Sc2ccccc2C#N)C[N@H+]1C1CC1	ZINC000177105184	823372784	/nfs/dbraw/zinc/37/27/84/823372784.db2.gz	KHCSQRWRRIRYDY-WBVHZDCISA-N	1	1	377.513	4.064	20	30		GIEDMO
COc1ccc(-c2noc(C[N@H+](Cc3ccc(C#N)cc3)C(C)C)n2)c(OC)c1	ZINC000058396985	823385955	/nfs/dbraw/zinc/38/59/55/823385955.db2.gz	VJEAZYIPNBIFSI-UHFFFAOYSA-N	1	1	392.459	4.036	20	30		GIEDMO
COc1ccc(-c2noc(C[N@@H+](Cc3ccc(C#N)cc3)C(C)C)n2)c(OC)c1	ZINC000058396985	823385958	/nfs/dbraw/zinc/38/59/58/823385958.db2.gz	VJEAZYIPNBIFSI-UHFFFAOYSA-N	1	1	392.459	4.036	20	30		GIEDMO
COc1ccc(C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C2CC2)cc1	ZINC000058491035	823399185	/nfs/dbraw/zinc/39/91/85/823399185.db2.gz	ZVXPMLPVDTXHGG-UHFFFAOYSA-N	1	1	395.528	4.110	20	30		GIEDMO
N#Cc1ccc(CN2CCC[N@@H+](Cc3cnc(-c4cccs4)s3)CC2)cc1	ZINC000122825568	823418876	/nfs/dbraw/zinc/41/88/76/823418876.db2.gz	HZENMTPERQRJFK-UHFFFAOYSA-N	1	1	394.569	4.451	20	30		GIEDMO
N#Cc1ccc(C[N@@H+]2CCCN(Cc3cnc(-c4cccs4)s3)CC2)cc1	ZINC000122825568	823418880	/nfs/dbraw/zinc/41/88/80/823418880.db2.gz	HZENMTPERQRJFK-UHFFFAOYSA-N	1	1	394.569	4.451	20	30		GIEDMO
N#Cc1ccc(C[N@H+]2CCCN(Cc3cnc(-c4cccs4)s3)CC2)cc1	ZINC000122825568	823418882	/nfs/dbraw/zinc/41/88/82/823418882.db2.gz	HZENMTPERQRJFK-UHFFFAOYSA-N	1	1	394.569	4.451	20	30		GIEDMO
N#Cc1ccc(C[N@@H+]2CCCN(Cc3ccc(CSC(F)F)o3)CC2)cc1	ZINC000122832300	823419886	/nfs/dbraw/zinc/41/98/86/823419886.db2.gz	UDQCKBAHYFRJCH-UHFFFAOYSA-N	1	1	391.487	4.315	20	30		GIEDMO
N#Cc1ccc(CN2CCC[N@@H+](Cc3ccc(CSC(F)F)o3)CC2)cc1	ZINC000122832300	823419891	/nfs/dbraw/zinc/41/98/91/823419891.db2.gz	UDQCKBAHYFRJCH-UHFFFAOYSA-N	1	1	391.487	4.315	20	30		GIEDMO
N#Cc1ccc(CN2CCC[N@H+](Cc3ccc(CSC(F)F)o3)CC2)cc1	ZINC000122832300	823419894	/nfs/dbraw/zinc/41/98/94/823419894.db2.gz	UDQCKBAHYFRJCH-UHFFFAOYSA-N	1	1	391.487	4.315	20	30		GIEDMO
C=C(C)Cn1c(C2CC2)nnc1N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2	ZINC000460555711	823430776	/nfs/dbraw/zinc/43/07/76/823430776.db2.gz	QVMYJTXRMWOJNA-DEOSSOPVSA-N	1	1	391.563	4.224	20	30		GIEDMO
C[C@H]1C[NH+](Cc2ccc(C(=O)Nc3ccc(C(C)(C)C#N)cc3)cc2)C[C@H](C)O1	ZINC000025119789	819932448	/nfs/dbraw/zinc/93/24/48/819932448.db2.gz	HQQCTXNVGXTSMB-ROUUACIJSA-N	1	1	391.515	4.349	20	30		GIEDMO
C[C@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)CC#Cc1ccc(C(F)(F)F)cc1	ZINC000177365186	823446136	/nfs/dbraw/zinc/44/61/36/823446136.db2.gz	IORHYRNZROAYJR-PVPMGCCUSA-N	1	1	379.447	4.487	20	30		GIEDMO
C[C@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)CC#Cc1ccc(C(F)(F)F)cc1	ZINC000177365186	823446138	/nfs/dbraw/zinc/44/61/38/823446138.db2.gz	IORHYRNZROAYJR-PVPMGCCUSA-N	1	1	379.447	4.487	20	30		GIEDMO
C[N@H+](CC(=O)N[C@@H](c1cccs1)c1ccc(F)cc1)Cc1cccc(C#N)c1	ZINC000026327007	820085009	/nfs/dbraw/zinc/08/50/09/820085009.db2.gz	RAATTZKBPUQQLF-JOCHJYFZSA-N	1	1	393.487	4.096	20	30		GIEDMO
C[N@@H+](CC(=O)N[C@@H](c1cccs1)c1ccc(F)cc1)Cc1cccc(C#N)c1	ZINC000026327007	820085014	/nfs/dbraw/zinc/08/50/14/820085014.db2.gz	RAATTZKBPUQQLF-JOCHJYFZSA-N	1	1	393.487	4.096	20	30		GIEDMO
C[C@@H]([NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)c1ccccc1Cl	ZINC000026363800	820089662	/nfs/dbraw/zinc/08/96/62/820089662.db2.gz	JVCOAEXTJQFUPH-CQSZACIVSA-N	1	1	394.824	4.177	20	30		GIEDMO
C=C(C)C[NH+]1CCC(NCc2c(C)nn(Cc3ccc(Cl)cc3)c2C)CC1	ZINC000123109219	823463583	/nfs/dbraw/zinc/46/35/83/823463583.db2.gz	FVPMBQXQKJWGCI-UHFFFAOYSA-N	1	1	386.971	4.332	20	30		GIEDMO
N#Cc1ccccc1-c1ccccc1C(=O)N1CC[NH+](Cc2ccccc2)CC1	ZINC000029486118	820462540	/nfs/dbraw/zinc/46/25/40/820462540.db2.gz	CIFLNOABDGWYQO-UHFFFAOYSA-N	1	1	381.479	4.183	20	30		GIEDMO
C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(C)(C)Cc1ccc(C#N)cc1	ZINC000410545201	823503319	/nfs/dbraw/zinc/50/33/19/823503319.db2.gz	JUNUMUUHYOYJPR-AUSIDOKSSA-N	1	1	389.543	4.154	20	30		GIEDMO
C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N(CCC#N)CC(F)(F)F)c1	ZINC000177625946	823503682	/nfs/dbraw/zinc/50/36/82/823503682.db2.gz	NNHHCWPRCFRJIA-UHFFFAOYSA-N	1	1	389.421	4.237	20	30		GIEDMO
C=C(C)Cn1c(COc2cccc(C)c2)nnc1N(C)[C@H]1CC[N@H+](CC)[C@H](C)C1	ZINC000460795060	823514462	/nfs/dbraw/zinc/51/44/62/823514462.db2.gz	RJNBCTDXVQKPIW-UXHICEINSA-N	1	1	397.567	4.051	20	30		GIEDMO
C=C[C@](C)(CCOC)C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1	ZINC000189935652	823515710	/nfs/dbraw/zinc/51/57/10/823515710.db2.gz	SWTAEWMCDBWQRC-HXUWFJFHSA-N	1	1	399.362	4.303	20	30		GIEDMO
CC[NH+](CC)[C@@H](C(=O)Nc1snc(C)c1C#N)c1cccc(C(F)(F)F)c1	ZINC000410814612	823516216	/nfs/dbraw/zinc/51/62/16/823516216.db2.gz	SKYXELLSJPQZBA-OAHLLOKOSA-N	1	1	396.438	4.364	20	30		GIEDMO
N#Cc1ccc(C[NH2+][C@H]2CCCOc3ccc(Br)cc32)c(F)c1	ZINC000177856367	823536937	/nfs/dbraw/zinc/53/69/37/823536937.db2.gz	AKCBKPYCKGOWHL-KRWDZBQOSA-N	1	1	375.241	4.463	20	30		GIEDMO
Cc1cc(C#N)ccc1C(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1	ZINC000123786179	823540704	/nfs/dbraw/zinc/54/07/04/823540704.db2.gz	XXSQRMAIOYKVQQ-OXJNMPFZSA-N	1	1	385.870	4.082	20	30		GIEDMO
CCc1cccc(C)c1NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000043156450	821370264	/nfs/dbraw/zinc/37/02/64/821370264.db2.gz	GZPIIJHOGNTXQD-UHFFFAOYSA-N	1	1	376.504	4.169	20	30		GIEDMO
N#CCCCOc1cccc(C[N@@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)c1	ZINC000180798018	821463884	/nfs/dbraw/zinc/46/38/84/821463884.db2.gz	HNRNQFKXIOWRPC-KRWDZBQOSA-N	1	1	392.425	4.422	20	30		GIEDMO
C[C@H](CCO)[N@@H+](CC(=O)c1cn(CCC#N)c2ccccc12)Cc1ccccc1	ZINC000180984280	821574142	/nfs/dbraw/zinc/57/41/42/821574142.db2.gz	RDCQRNOETSUYCY-LJQANCHMSA-N	1	1	389.499	4.011	20	30		GIEDMO
C[C@@H]([NH2+][C@H](C)c1ccc(F)cc1F)C(=O)Nc1c(F)c(F)c(F)c(F)c1F	ZINC000181587162	821891947	/nfs/dbraw/zinc/89/19/47/821891947.db2.gz	OHBYTAQEMJCJSF-RNFRBKRXSA-N	1	1	394.290	4.338	20	30		GIEDMO
Cc1oc(NC(=O)C[NH2+][C@H](c2ccc(F)cc2F)C(C)(C)C)c(C#N)c1C	ZINC000181620421	821906684	/nfs/dbraw/zinc/90/66/84/821906684.db2.gz	BCLUTCAAHGSOKB-GOSISDBHSA-N	1	1	375.419	4.362	20	30		GIEDMO
Cc1oc(NC(=O)C[NH2+][C@@H](c2ccc(F)cc2F)C(C)(C)C)c(C#N)c1C	ZINC000181620409	821906922	/nfs/dbraw/zinc/90/69/22/821906922.db2.gz	BCLUTCAAHGSOKB-SFHVURJKSA-N	1	1	375.419	4.362	20	30		GIEDMO
COc1cc(F)c([C@H](C)NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1OC	ZINC000181752472	821977316	/nfs/dbraw/zinc/97/73/16/821977316.db2.gz	ZPQBHEIXMOIXOP-INIZCTEOSA-N	1	1	397.494	4.030	20	30		GIEDMO
C[C@H]([NH2+][C@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1)c1cccc(C#N)c1	ZINC000181836747	822012828	/nfs/dbraw/zinc/01/28/28/822012828.db2.gz	DTSORTDGIOXQHQ-GAJHUEQPSA-N	1	1	390.508	4.402	20	30		GIEDMO
CC[C@H]([NH2+]CC(=O)Nc1ccccc1S[C@H](C)CC#N)c1c(C)noc1C	ZINC000182412768	822234040	/nfs/dbraw/zinc/23/40/40/822234040.db2.gz	WFXXAASSHATNGI-CJNGLKHVSA-N	1	1	386.521	4.365	20	30		GIEDMO
C=C(C)Cn1c([C@H]2CCCCO2)nnc1N1CCC(C[N@H+](C)CCCC)CC1	ZINC000453465124	822369938	/nfs/dbraw/zinc/36/99/38/822369938.db2.gz	MKYYSUJLGQXJOW-HXUWFJFHSA-N	1	1	389.588	4.044	20	30		GIEDMO
C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000045432911	822387430	/nfs/dbraw/zinc/38/74/30/822387430.db2.gz	JROZZKGXVZLEOX-QGZVFWFLSA-N	1	1	395.469	4.011	20	30		GIEDMO
CC(C)(C)OC(=O)[C@]1(C)CC[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1	ZINC000453599241	822391059	/nfs/dbraw/zinc/39/10/59/822391059.db2.gz	AEXPBXIBPRHZPZ-HSZRJFAPSA-N	1	1	394.519	4.017	20	30		GIEDMO
C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N(C)Cc1ccc(C#N)cc1	ZINC000045780742	822413018	/nfs/dbraw/zinc/41/30/18/822413018.db2.gz	QDVFCSOZKAKRDQ-LJQANCHMSA-N	1	1	390.531	4.274	20	30		GIEDMO
Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]Cc1ccc(C#N)cc1F	ZINC000179303702	822463264	/nfs/dbraw/zinc/46/32/64/822463264.db2.gz	BGPRUNXUQGNKNX-UHFFFAOYSA-N	1	1	399.267	4.244	20	30		GIEDMO
C[C@H]1C[NH+](Cc2ccc(C(=O)Nc3ccc(Cl)c(C#N)c3)cc2)C[C@H](C)O1	ZINC000046435223	822472877	/nfs/dbraw/zinc/47/28/77/822472877.db2.gz	XQYPNGZWYWWHES-GJZGRUSLSA-N	1	1	383.879	4.073	20	30		GIEDMO
Cc1cc(C)cc([C@H]2CC[N@H+](CC(=O)Nc3ccccc3SCC#N)C2)c1	ZINC000183481387	822482848	/nfs/dbraw/zinc/48/28/48/822482848.db2.gz	IUXAJIARIOCXOZ-SFHVURJKSA-N	1	1	379.529	4.347	20	30		GIEDMO
Cc1cc(C)cc([C@H]2CC[N@@H+](CC(=O)Nc3ccccc3SCC#N)C2)c1	ZINC000183481387	822482850	/nfs/dbraw/zinc/48/28/50/822482850.db2.gz	IUXAJIARIOCXOZ-SFHVURJKSA-N	1	1	379.529	4.347	20	30		GIEDMO
C[N@H+]1CC[C@@H](CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C1	ZINC000454535370	822492838	/nfs/dbraw/zinc/49/28/38/822492838.db2.gz	ADBYEGZZRAVIPY-HNNXBMFYSA-N	1	1	384.867	4.077	20	30		GIEDMO
N#Cc1ccccc1-c1ccc(C[NH2+][C@H](C(=O)NC2CC2)c2ccc(F)cc2)cc1	ZINC000179673226	822524254	/nfs/dbraw/zinc/52/42/54/822524254.db2.gz	QMWMMRHSJZHODC-DEOSSOPVSA-N	1	1	399.469	4.474	20	30		GIEDMO
CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)c1cc(F)ccc1F	ZINC000179773085	822549848	/nfs/dbraw/zinc/54/98/48/822549848.db2.gz	WXJKDUPNJRFJKF-APPDUMDISA-N	1	1	389.471	4.455	20	30		GIEDMO
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C	ZINC000179794152	822554219	/nfs/dbraw/zinc/55/42/19/822554219.db2.gz	KDTJTEGGTAHYCX-HKUYNNGSSA-N	1	1	390.487	4.359	20	30		GIEDMO
Cn1cc(C[N@@H+](C)Cc2ccc(OC(F)F)cc2)c(-c2ccc(C#N)cc2)n1	ZINC000179883429	822571135	/nfs/dbraw/zinc/57/11/35/822571135.db2.gz	LJCWUEBYGFHSQM-UHFFFAOYSA-N	1	1	382.414	4.192	20	30		GIEDMO
Cn1cc(C[N@@H+](C)Cc2ccc(Br)cc2)c(-c2ccc(C#N)cc2)n1	ZINC000179884150	822571464	/nfs/dbraw/zinc/57/14/64/822571464.db2.gz	FHRUHHNRAFFKCB-UHFFFAOYSA-N	1	1	395.304	4.353	20	30		GIEDMO
Cn1cc(C[N@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)c(-c2ccc(C#N)cc2)n1	ZINC000179917171	822576701	/nfs/dbraw/zinc/57/67/01/822576701.db2.gz	PQKZNNXVWSLTBG-LJQANCHMSA-N	1	1	397.482	4.480	20	30		GIEDMO
N#Cc1ccc(C[N@@H+]2CCCN(Cc3csc(Br)c3)CC2)cc1	ZINC000047698393	822600617	/nfs/dbraw/zinc/60/06/17/822600617.db2.gz	XKALNZGLJIQFKX-UHFFFAOYSA-N	1	1	390.350	4.090	20	30		GIEDMO
C[C@H](C#N)Oc1ccccc1NC(=O)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1	ZINC000180073641	822609991	/nfs/dbraw/zinc/60/99/91/822609991.db2.gz	NSUCFSJVMZNVNU-GOSISDBHSA-N	1	1	392.503	4.106	20	30		GIEDMO
CC[C@@H]([NH2+]CC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1nc(C)cs1	ZINC000184384301	822626026	/nfs/dbraw/zinc/62/60/26/822626026.db2.gz	YURUKTWUNKTTKQ-DZGCQCFKSA-N	1	1	388.562	4.383	20	30		GIEDMO
CC[C@@H]([NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1)c1nc(C)cs1	ZINC000184388693	822626846	/nfs/dbraw/zinc/62/68/46/822626846.db2.gz	QOPSWPADRLMOGR-MRXNPFEDSA-N	1	1	376.913	4.093	20	30		GIEDMO
C[C@H]([NH2+]CC(=O)N(C)C1(C#N)CCCCC1)c1nc(-c2ccccc2)cs1	ZINC000184518585	822649778	/nfs/dbraw/zinc/64/97/78/822649778.db2.gz	KMLCWYZLCHPGDB-INIZCTEOSA-N	1	1	382.533	4.146	20	30		GIEDMO
Cc1ccc(NC(=O)N2CC[NH+](Cc3ccccc3C(C)(C)C#N)CC2)cc1	ZINC000180471589	822687985	/nfs/dbraw/zinc/68/79/85/822687985.db2.gz	MJOFBGRNKKSTNQ-UHFFFAOYSA-N	1	1	376.504	4.146	20	30		GIEDMO
C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C(C)(C)Cc2ccc(C#N)cc2)C1	ZINC000455673958	822697232	/nfs/dbraw/zinc/69/72/32/822697232.db2.gz	YQLVQDXCNCAFBM-DENIHFKCSA-N	1	1	381.564	4.240	20	30		GIEDMO
CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1cccc(SCC#N)c1	ZINC000184844308	822698959	/nfs/dbraw/zinc/69/89/59/822698959.db2.gz	SOWRWTKTOMUVNH-NRFANRHFSA-N	1	1	381.545	4.189	20	30		GIEDMO
N#CCCn1cc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)c(-c2ccccc2)n1	ZINC000180601424	822709266	/nfs/dbraw/zinc/70/92/66/822709266.db2.gz	LJRWQGCBUSNJTO-RTWAWAEBSA-N	1	1	390.487	4.145	20	30		GIEDMO
CCOc1ccc(C#N)cc1NC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1	ZINC000050059409	822716673	/nfs/dbraw/zinc/71/66/73/822716673.db2.gz	UDPSPHZWKJNTMT-QGZVFWFLSA-N	1	1	398.532	4.052	20	30		GIEDMO
C[C@H]1CN(C(=O)Nc2ccc(CC#N)cc2Cl)CC[N@@H+](Cc2ccccc2)C1	ZINC000455734243	822716746	/nfs/dbraw/zinc/71/67/46/822716746.db2.gz	OPUFZKBDGCKBBE-QGZVFWFLSA-N	1	1	396.922	4.392	20	30		GIEDMO
Cc1sc([C@H](C)[NH2+][C@@H](C)C(=O)N(C)CCC#N)nc1-c1ccc(Cl)cc1	ZINC000184951613	822717662	/nfs/dbraw/zinc/71/76/62/822717662.db2.gz	LENQZDBMILUZRF-STQMWFEESA-N	1	1	390.940	4.183	20	30		GIEDMO
C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)Nc3cccc(CC#N)c3)cc2)C1	ZINC000455911051	822747480	/nfs/dbraw/zinc/74/74/80/822747480.db2.gz	DJBBDLFXIGAKBD-SFHVURJKSA-N	1	1	376.504	4.306	20	30		GIEDMO
C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)Nc3cccc(CC#N)c3)cc2)C1	ZINC000455911050	822747543	/nfs/dbraw/zinc/74/75/43/822747543.db2.gz	DJBBDLFXIGAKBD-GOSISDBHSA-N	1	1	376.504	4.306	20	30		GIEDMO
C[C@@H]1C[C@@H](CCNC(=O)Nc2cccc(CC#N)c2)C[N@H+]1Cc1ccccc1	ZINC000455911852	822747669	/nfs/dbraw/zinc/74/76/69/822747669.db2.gz	WTGGTTUYANWVQH-WIYYLYMNSA-N	1	1	376.504	4.175	20	30		GIEDMO
CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Nc1cccc(CC#N)c1	ZINC000455912334	822747881	/nfs/dbraw/zinc/74/78/81/822747881.db2.gz	XJBZQZCZTHSLBR-NRFANRHFSA-N	1	1	376.504	4.175	20	30		GIEDMO
CCCC[C@H]([NH2+]Cc1ccc(C#N)o1)C(=O)Nc1cccc(N2CCCC2)c1	ZINC000174329250	822772064	/nfs/dbraw/zinc/77/20/64/822772064.db2.gz	YZZGNTPIKSQWSO-NRFANRHFSA-N	1	1	380.492	4.039	20	30		GIEDMO
CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)Nc1ccccc1O[C@@H](C)C#N	ZINC000185477565	822788651	/nfs/dbraw/zinc/78/86/51/822788651.db2.gz	UNKIIWYIMBKRQL-RXVVDRJESA-N	1	1	394.519	4.256	20	30		GIEDMO
C[C@@H]([NH2+]Cc1ccc(N(C)CCC#N)cc1)c1nc(-c2cccc(F)c2)no1	ZINC000174664225	822820554	/nfs/dbraw/zinc/82/05/54/822820554.db2.gz	SUGAQRMYTSCHKQ-OAHLLOKOSA-N	1	1	379.439	4.076	20	30		GIEDMO
CC[N@H+](CC(=O)c1cn(CCC#N)c2ccccc12)Cc1ccc(OC)cc1	ZINC000174822824	822842077	/nfs/dbraw/zinc/84/20/77/822842077.db2.gz	MYZAVNWIQMJYTI-UHFFFAOYSA-N	1	1	375.472	4.268	20	30		GIEDMO
CC[N@@H+](CC(=O)c1cn(CCC#N)c2ccccc12)Cc1ccc(OC)cc1	ZINC000174822824	822842079	/nfs/dbraw/zinc/84/20/79/822842079.db2.gz	MYZAVNWIQMJYTI-UHFFFAOYSA-N	1	1	375.472	4.268	20	30		GIEDMO
C[N@@H+](CCCCNC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)C1CC1	ZINC000457212068	822860856	/nfs/dbraw/zinc/86/08/56/822860856.db2.gz	WXFDOJWAOQHXDY-UHFFFAOYSA-N	1	1	381.451	4.094	20	30		GIEDMO
COc1ccccc1[C@@H](CNC(=O)N[C@H](CCCC#N)c1ccccc1)[NH+](C)C	ZINC000457453010	822876312	/nfs/dbraw/zinc/87/63/12/822876312.db2.gz	IQDGDVQESRGRAV-NHCUHLMSSA-N	1	1	394.519	4.032	20	30		GIEDMO
C=C(C)[C@H]([NH2+][C@@H](C)c1ccc(S(C)(=O)=O)c(OC)c1)c1ccc(F)c(F)c1	ZINC000186454078	822898375	/nfs/dbraw/zinc/89/83/75/822898375.db2.gz	GOQMYKKEKYHOJG-RBZFPXEDSA-N	1	1	395.471	4.345	20	30		GIEDMO
COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+](C)Cc1cc2ccccc2o1	ZINC000175194344	822901602	/nfs/dbraw/zinc/90/16/02/822901602.db2.gz	WKCVSEMBVXSLDV-QGZVFWFLSA-N	1	1	391.471	4.209	20	30		GIEDMO
COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+](C)Cc1cc2ccccc2o1	ZINC000175194344	822901603	/nfs/dbraw/zinc/90/16/03/822901603.db2.gz	WKCVSEMBVXSLDV-QGZVFWFLSA-N	1	1	391.471	4.209	20	30		GIEDMO
C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](CC(=O)NCc2ccc(F)cc2)C1	ZINC000569337023	822908962	/nfs/dbraw/zinc/90/89/62/822908962.db2.gz	YJCPVXRPZTWDMR-YLJYHZDGSA-N	1	1	379.479	4.177	20	30		GIEDMO
C=CCn1c(-c2cccnc2)nn(C[N@H+]2CC[C@@H](c3ccccc3)[C@H]2C)c1=S	ZINC000175269578	822920292	/nfs/dbraw/zinc/92/02/92/822920292.db2.gz	YBCKZIHZEDXRTD-YLJYHZDGSA-N	1	1	391.544	4.498	20	30		GIEDMO
C=CCn1c(-c2cccnc2)nn(C[N@@H+]2CC[C@@H](c3ccccc3)[C@H]2C)c1=S	ZINC000175269578	822920295	/nfs/dbraw/zinc/92/02/95/822920295.db2.gz	YBCKZIHZEDXRTD-YLJYHZDGSA-N	1	1	391.544	4.498	20	30		GIEDMO
N#Cc1ccc(C[NH+]2CCC(c3nc4ccccc4s3)CC2)c([N+](=O)[O-])c1	ZINC000569726707	822959462	/nfs/dbraw/zinc/95/94/62/822959462.db2.gz	MFOMCWQSVZGDHH-UHFFFAOYSA-N	1	1	378.457	4.456	20	30		GIEDMO
COc1ccc2c(c1)C1(CC1)C[N@@H+](Cc1ccc(OC)c(OCCCC#N)c1)C2	ZINC000569978812	822992433	/nfs/dbraw/zinc/99/24/33/822992433.db2.gz	KRBPBWJVNIXPJU-UHFFFAOYSA-N	1	1	392.499	4.434	20	30		GIEDMO
COc1ccc2c(c1)C1(CC1)C[N@H+](Cc1ccc(OC)c(OCCCC#N)c1)C2	ZINC000569978812	822992436	/nfs/dbraw/zinc/99/24/36/822992436.db2.gz	KRBPBWJVNIXPJU-UHFFFAOYSA-N	1	1	392.499	4.434	20	30		GIEDMO
C[C@H]1C[C@H](N(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CC[N@H+]1C	ZINC000175710995	823025125	/nfs/dbraw/zinc/02/51/25/823025125.db2.gz	FUZYVNKJIQRGSG-QFBILLFUSA-N	1	1	378.476	4.297	20	30		GIEDMO
C=CCn1c(-c2cc(Cl)ccc2Cl)nnc1N1C[C@H]2CCC[N@@H+]2C[C@@H]1C	ZINC000570437925	823038344	/nfs/dbraw/zinc/03/83/44/823038344.db2.gz	IRJGWTHJYFNLAA-DZGCQCFKSA-N	1	1	392.334	4.111	20	30		GIEDMO
C[C@H]1CCCC[N@H+]1CCNC(=O)c1ccccc1SCc1ccc(C#N)cc1	ZINC000060669339	823551486	/nfs/dbraw/zinc/55/14/86/823551486.db2.gz	VWENIMOFTZAZNG-SFHVURJKSA-N	1	1	393.556	4.455	20	30		GIEDMO
C=CC[N@@H+](Cc1ccc(OC)cc1)[C@@H](C)C(=O)Nc1ccccc1OC(F)F	ZINC000411174168	823554510	/nfs/dbraw/zinc/55/45/10/823554510.db2.gz	ADMOPEYGABWQNM-HNNXBMFYSA-N	1	1	390.430	4.312	20	30		GIEDMO
C=CC[N@H+](Cc1ccc(OC)cc1)[C@@H](C)C(=O)Nc1ccccc1OC(F)F	ZINC000411174168	823554513	/nfs/dbraw/zinc/55/45/13/823554513.db2.gz	ADMOPEYGABWQNM-HNNXBMFYSA-N	1	1	390.430	4.312	20	30		GIEDMO
C[N@H+]1CC[C@H](CNC(=O)C2(C#N)CCCCC2)[C@@H]1c1ccc(Cl)c(F)c1	ZINC000123965182	823556136	/nfs/dbraw/zinc/55/61/36/823556136.db2.gz	HXOAFHXBBGTIOI-QAPCUYQASA-N	1	1	377.891	4.062	20	30		GIEDMO
C=CCC[C@H]([NH2+]Cc1ccc(S(C)(=O)=O)o1)c1ccc(C(F)(F)F)cc1	ZINC000411485468	823580329	/nfs/dbraw/zinc/58/03/29/823580329.db2.gz	QXDMMCPBRMKZSB-INIZCTEOSA-N	1	1	387.423	4.499	20	30		GIEDMO
C=CC[N@@H+](CCc1ccco1)[C@@H](C)C(=O)Nc1c(C)nn(-c2ccccc2)c1C	ZINC000411488750	823580693	/nfs/dbraw/zinc/58/06/93/823580693.db2.gz	PPGWEONEVIYRIF-IBGZPJMESA-N	1	1	392.503	4.140	20	30		GIEDMO
C=CC[N@H+](CCc1ccco1)[C@@H](C)C(=O)Nc1c(C)nn(-c2ccccc2)c1C	ZINC000411488750	823580697	/nfs/dbraw/zinc/58/06/97/823580697.db2.gz	PPGWEONEVIYRIF-IBGZPJMESA-N	1	1	392.503	4.140	20	30		GIEDMO
CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)c1cccc(OCc2ccccc2C#N)c1	ZINC000461258808	823606520	/nfs/dbraw/zinc/60/65/20/823606520.db2.gz	RKELAIBFWSSLRW-QFIPXVFZSA-N	1	1	391.515	4.084	20	30		GIEDMO
CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1	ZINC000461270264	823609734	/nfs/dbraw/zinc/60/97/34/823609734.db2.gz	HUBFFFBJUNRRLP-NRFANRHFSA-N	1	1	391.515	4.491	20	30		GIEDMO
C=CCN(Cc1ccccc1)C(=O)Nc1ccccc1C[NH+]1CCSCC1	ZINC000061789981	823614519	/nfs/dbraw/zinc/61/45/19/823614519.db2.gz	ZILHIIGEJURDSJ-UHFFFAOYSA-N	1	1	381.545	4.456	20	30		GIEDMO
CC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)C1	ZINC000124741937	823622585	/nfs/dbraw/zinc/62/25/85/823622585.db2.gz	UHMYUYCVEBMHPB-LJQANCHMSA-N	1	1	377.488	4.073	20	30		GIEDMO
C=CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1	ZINC000063251172	823656952	/nfs/dbraw/zinc/65/69/52/823656952.db2.gz	VKVHSKSYAYHNAK-JOCHJYFZSA-N	1	1	391.490	4.124	20	30		GIEDMO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1	ZINC000063341813	823664635	/nfs/dbraw/zinc/66/46/35/823664635.db2.gz	OMWSYRKXZOCQDX-NRFANRHFSA-N	1	1	393.487	4.022	20	30		GIEDMO
N#Cc1c(NC(=O)CC[N@H+]2CCC[C@H]2c2ccc[nH]2)sc2c1CCCCC2	ZINC000125345380	823669651	/nfs/dbraw/zinc/66/96/51/823669651.db2.gz	JFNUPFVSONDTEQ-SFHVURJKSA-N	1	1	382.533	4.382	20	30		GIEDMO
C=C(C)Cn1c(S[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nnc1-c1ccncc1	ZINC000413002453	823699370	/nfs/dbraw/zinc/69/93/70/823699370.db2.gz	UOZIBVJLVKFVEL-HXUWFJFHSA-N	1	1	391.544	4.283	20	30		GIEDMO
C[C@@H](CC#N)Sc1ccccc1NC(=O)C[NH+]1CCC(c2ccncc2)CC1	ZINC000191625684	823717618	/nfs/dbraw/zinc/71/76/18/823717618.db2.gz	JHPHMKOTBZLAOP-KRWDZBQOSA-N	1	1	394.544	4.294	20	30		GIEDMO
COc1ccccc1-c1nc(C2CC[NH+](Cc3ccc(C#N)cc3F)CC2)no1	ZINC000191633265	823719922	/nfs/dbraw/zinc/71/99/22/823719922.db2.gz	FKXSKKQBIFPCOD-UHFFFAOYSA-N	1	1	392.434	4.136	20	30		GIEDMO
C[C@@H](C(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)c1cccc(C#N)c1	ZINC000461904067	823747149	/nfs/dbraw/zinc/74/71/49/823747149.db2.gz	SQCKMMYKHFWHBP-RTBURBONSA-N	1	1	375.516	4.353	20	30		GIEDMO
C=C(C)C[N@H+](CC)CC(=O)N(C)[C@H](C)c1cccc(NC(=O)c2ccccc2)c1	ZINC000125931806	823747515	/nfs/dbraw/zinc/74/75/15/823747515.db2.gz	CHCVWVSQKNALFW-LJQANCHMSA-N	1	1	393.531	4.356	20	30		GIEDMO
C[C@@H](C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C)c1cccc(C#N)c1	ZINC000461908272	823749485	/nfs/dbraw/zinc/74/94/85/823749485.db2.gz	DGUYZUPVWYDGIG-RTBURBONSA-N	1	1	375.516	4.353	20	30		GIEDMO
C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)N[C@@H]2CCCc3cc(C#N)ccc32)C1	ZINC000574549132	823761617	/nfs/dbraw/zinc/76/16/17/823761617.db2.gz	LTPCCUKIHZUVNW-KKLQWCBXSA-N	1	1	394.563	4.232	20	30		GIEDMO
C[N@@H+](CCN(Cc1ccccc1)C(=O)N[C@@H]1CCC[C@@H]1C#N)Cc1ccccc1	ZINC000461946823	823767698	/nfs/dbraw/zinc/76/76/98/823767698.db2.gz	HWGGQMUEIZSQNB-DHIUTWEWSA-N	1	1	390.531	4.022	20	30		GIEDMO
CC(C)(C)[C@@H](C[N@H+]1CCc2ccccc2C1)NC(=O)N1CCC(CCC#N)CC1	ZINC000574570123	823769475	/nfs/dbraw/zinc/76/94/75/823769475.db2.gz	GSJGHNFVXAKDAA-JOCHJYFZSA-N	1	1	396.579	4.185	20	30		GIEDMO
C[C@@H]1CN(C(=O)N[C@@H](CCCC#N)c2ccccc2)CC[N@@H+]1Cc1ccccc1	ZINC000413576170	823800031	/nfs/dbraw/zinc/80/00/31/823800031.db2.gz	LVFXXUUPCURIRI-OFNKIYASSA-N	1	1	390.531	4.337	20	30		GIEDMO
C[C@@H]1CN(C(=O)N[C@@H](CCCC#N)c2ccccc2)CC[N@H+]1Cc1ccccc1	ZINC000413576170	823800040	/nfs/dbraw/zinc/80/00/40/823800040.db2.gz	LVFXXUUPCURIRI-OFNKIYASSA-N	1	1	390.531	4.337	20	30		GIEDMO
C[C@@H]1CN(C(=O)N[C@H](CCCC#N)c2ccccc2)CC[N@@H+]1Cc1ccccc1	ZINC000413576166	823800160	/nfs/dbraw/zinc/80/01/60/823800160.db2.gz	LVFXXUUPCURIRI-NFBKMPQASA-N	1	1	390.531	4.337	20	30		GIEDMO
C[C@@H]1CN(C(=O)N[C@H](CCCC#N)c2ccccc2)CC[N@H+]1Cc1ccccc1	ZINC000413576166	823800168	/nfs/dbraw/zinc/80/01/68/823800168.db2.gz	LVFXXUUPCURIRI-NFBKMPQASA-N	1	1	390.531	4.337	20	30		GIEDMO
C[C@H]1CN(C(=O)N[C@H](CCCC#N)c2ccccc2)CC[N@@H+]1Cc1ccccc1	ZINC000413576168	823800210	/nfs/dbraw/zinc/80/02/10/823800210.db2.gz	LVFXXUUPCURIRI-NZQKXSOJSA-N	1	1	390.531	4.337	20	30		GIEDMO
C[C@H]1CN(C(=O)N[C@H](CCCC#N)c2ccccc2)CC[N@H+]1Cc1ccccc1	ZINC000413576168	823800219	/nfs/dbraw/zinc/80/02/19/823800219.db2.gz	LVFXXUUPCURIRI-NZQKXSOJSA-N	1	1	390.531	4.337	20	30		GIEDMO
C[C@@H](C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)c1cccc(C#N)c1	ZINC000462180551	823857212	/nfs/dbraw/zinc/85/72/12/823857212.db2.gz	MUAXICRNWNCWDE-CJFMBICVSA-N	1	1	387.527	4.176	20	30		GIEDMO
C[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1cc2c(cc1Br)OCCO2	ZINC000192152564	823881933	/nfs/dbraw/zinc/88/19/33/823881933.db2.gz	OUMULGITDUVHBB-LLVKDONJSA-N	1	1	391.240	4.082	20	30		GIEDMO
C[C@H](C(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)c1cccc(C#N)c1	ZINC000462279379	823910692	/nfs/dbraw/zinc/91/06/92/823910692.db2.gz	YMXVZXXNIBFFLF-DHUIEDIVSA-N	1	1	399.897	4.263	20	30		GIEDMO
C#CCCCC(=O)Nc1ccccc1C[N@@H+]1CCc2cc(OC)c(OC)cc2C1	ZINC000192238469	823912335	/nfs/dbraw/zinc/91/23/35/823912335.db2.gz	WPUUAYHLMDXVEA-UHFFFAOYSA-N	1	1	392.499	4.004	20	30		GIEDMO
C#CCCCC(=O)Nc1ccccc1C[N@H+]1CCc2cc(OC)c(OC)cc2C1	ZINC000192238469	823912343	/nfs/dbraw/zinc/91/23/43/823912343.db2.gz	WPUUAYHLMDXVEA-UHFFFAOYSA-N	1	1	392.499	4.004	20	30		GIEDMO
N#Cc1ccc(OC2CC[NH+](Cc3ccc(OC(F)F)c(F)c3)CC2)c(F)c1	ZINC000575218995	823943515	/nfs/dbraw/zinc/94/35/15/823943515.db2.gz	PAUGWAQOBFTHOX-UHFFFAOYSA-N	1	1	394.368	4.481	20	30		GIEDMO
N#Cc1ccc(-c2ccncc2)nc1N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21	ZINC001164629952	719095113	/nfs/dbraw/zinc/09/51/13/719095113.db2.gz	UMYGLFDUNJQARK-VWNXMTODSA-N	1	1	395.510	4.116	20	30		GIEDMO
Cc1nc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c(Cl)cc1C#N	ZINC001165018760	721830912	/nfs/dbraw/zinc/83/09/12/721830912.db2.gz	AEVDWKAVZFSIDB-LRQRDZAKSA-N	1	1	395.938	4.047	20	30		GIEDMO
C[C@@H]1C[C@H](NC(=O)N[C@@H](CCCC#N)c2ccccc2)C[N@H+]1Cc1ccccc1	ZINC000458574295	823058117	/nfs/dbraw/zinc/05/81/17/823058117.db2.gz	XFWMCSUKYUFFEK-OIBXWCBGSA-N	1	1	390.531	4.384	20	30		GIEDMO
C[C@@H]1C[C@H](NC(=O)N[C@H](CCCC#N)c2ccccc2)C[N@H+]1Cc1ccccc1	ZINC000458574303	823058272	/nfs/dbraw/zinc/05/82/72/823058272.db2.gz	XFWMCSUKYUFFEK-WTIAFYNJSA-N	1	1	390.531	4.384	20	30		GIEDMO
N#CCCC[C@H](NC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccccc1	ZINC000458805081	823089075	/nfs/dbraw/zinc/08/90/75/823089075.db2.gz	TWWDCIQASKKLCY-BAGYTPMASA-N	1	1	380.536	4.080	20	30		GIEDMO
C=C(C)[C@@H]([NH2+]CC(=O)Nc1ccc(N2CCCC2)cc1)c1ccc(F)c(F)c1	ZINC000187754179	823126277	/nfs/dbraw/zinc/12/62/77/823126277.db2.gz	YTMKJARNJMSNMC-JOCHJYFZSA-N	1	1	385.458	4.411	20	30		GIEDMO
CNC(=O)c1ccc(C[N@@H+](C)Cc2cccc(OCc3ccccc3C#N)c2)cc1	ZINC000121178004	823132921	/nfs/dbraw/zinc/13/29/21/823132921.db2.gz	KUMWMAMWAHGJKC-UHFFFAOYSA-N	1	1	399.494	4.129	20	30		GIEDMO
C[C@@H]1CN(c2ccccc2C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)CCO1	ZINC000459340247	823164944	/nfs/dbraw/zinc/16/49/44/823164944.db2.gz	CSVMFSSRHBJHTE-WNOPAQSVSA-N	1	1	375.516	4.183	20	30		GIEDMO
C[N@@H+](CCOc1ccc(F)cc1)Cc1cn(CCC#N)nc1-c1ccccc1	ZINC000121470134	823190663	/nfs/dbraw/zinc/19/06/63/823190663.db2.gz	INXKLTVGXPNAON-UHFFFAOYSA-N	1	1	378.451	4.114	20	30		GIEDMO
C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2ccn(-c3cccc(C#N)c3)n2)cc1	ZINC000409463046	823225316	/nfs/dbraw/zinc/22/53/16/823225316.db2.gz	CFCDZVOUJJAOME-SFHVURJKSA-N	1	1	399.498	4.371	20	30		GIEDMO
C=CCOc1ccc(C[N@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)cc1OC	ZINC000459649592	823238841	/nfs/dbraw/zinc/23/88/41/823238841.db2.gz	MFRNNAWDBMDACM-IBGZPJMESA-N	1	1	399.453	4.441	20	30		GIEDMO
C[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)Cc1ccc(Br)cc1	ZINC000003585207	817488941	/nfs/dbraw/zinc/48/89/41/817488941.db2.gz	LJBQHGAQYVILMT-UHFFFAOYSA-N	1	1	392.684	4.045	20	30		GIEDMO
C[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)Cc1ccc(Br)cc1	ZINC000003585207	817488944	/nfs/dbraw/zinc/48/89/44/817488944.db2.gz	LJBQHGAQYVILMT-UHFFFAOYSA-N	1	1	392.684	4.045	20	30		GIEDMO
C[C@@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(c2nc3ccccc3s2)CC1	ZINC000005090420	817551041	/nfs/dbraw/zinc/55/10/41/817551041.db2.gz	XFJVKNJQWCVVHU-HNNXBMFYSA-N	1	1	390.512	4.375	20	30		GIEDMO
C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)C2(c3ccc(C#N)cc3)CC2)CC1	ZINC000188610533	823272538	/nfs/dbraw/zinc/27/25/38/823272538.db2.gz	ORVXRXXQSNBGSH-LJQANCHMSA-N	1	1	379.548	4.093	20	30		GIEDMO
OC[C@@]1(Cc2ccc(F)cc2)CC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1	ZINC000572280143	823312575	/nfs/dbraw/zinc/31/25/75/823312575.db2.gz	JWUPNTLBGJFZJU-OAQYLSRUSA-N	1	1	391.408	4.123	20	30		GIEDMO
CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)[C@H](C)C1	ZINC000122209030	823321892	/nfs/dbraw/zinc/32/18/92/823321892.db2.gz	INEIHRBKSHCRTC-XMSQKQJNSA-N	1	1	391.515	4.461	20	30		GIEDMO
Cc1cccc(NC(=S)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1C	ZINC000017517662	818518024	/nfs/dbraw/zinc/51/80/24/818518024.db2.gz	RYPDLABGSLYLTJ-UHFFFAOYSA-N	1	1	378.545	4.080	20	30		GIEDMO
C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1c(F)cccc1Cl	ZINC000022198759	818781945	/nfs/dbraw/zinc/78/19/45/818781945.db2.gz	WBTCDABYGCCSNV-UHFFFAOYSA-N	1	1	391.899	4.362	20	30		GIEDMO
C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1c(F)cccc1Cl	ZINC000022198759	818781951	/nfs/dbraw/zinc/78/19/51/818781951.db2.gz	WBTCDABYGCCSNV-UHFFFAOYSA-N	1	1	391.899	4.362	20	30		GIEDMO
N#Cc1ccsc1N1CC[C@@H]([NH2+][C@@H](c2ccccc2)c2cccc(F)c2)C1=O	ZINC000122556658	823372048	/nfs/dbraw/zinc/37/20/48/823372048.db2.gz	VRPOFDVARSMOSA-UXHICEINSA-N	1	1	391.471	4.243	20	30		GIEDMO
C[C@H]1C[C@H](NC(=O)c2ccccc2Sc2ccccc2C#N)C[N@H+]1C1CC1	ZINC000177105201	823372692	/nfs/dbraw/zinc/37/26/92/823372692.db2.gz	KHCSQRWRRIRYDY-RDJZCZTQSA-N	1	1	377.513	4.064	20	30		GIEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc4c5c(cccc53)CC4)CC2)cc1	ZINC000023753987	818980140	/nfs/dbraw/zinc/98/01/40/818980140.db2.gz	VJAMSNGDYZCJBO-UHFFFAOYSA-N	1	1	395.506	4.158	20	30		GIEDMO
C[C@@H]1C[C@H](NC(=O)c2ccccc2SCc2ccc(C#N)cc2)C[N@H+]1C1CC1	ZINC000177159945	823386857	/nfs/dbraw/zinc/38/68/57/823386857.db2.gz	VKLLNFPLQVRATQ-APWZRJJASA-N	1	1	391.540	4.206	20	30		GIEDMO
N#Cc1ccccc1N1CCC[N@H+](Cc2ccc(OC(F)(F)F)cc2)CC1	ZINC000058580269	823412114	/nfs/dbraw/zinc/41/21/14/823412114.db2.gz	JSSOHZSDTYMTDQ-UHFFFAOYSA-N	1	1	375.394	4.169	20	30		GIEDMO
CC[C@@H](C#N)Oc1cc(C[NH2+]Cc2nc3cc(Cl)ccc3n2C)ccc1OC	ZINC000122841118	823421624	/nfs/dbraw/zinc/42/16/24/823421624.db2.gz	GRWATTTXGCFJJP-INIZCTEOSA-N	1	1	398.894	4.206	20	30		GIEDMO
Cc1cc(Br)ccc1NC(=O)C[N@@H+](C)[C@H](C)c1ccc(C#N)cc1	ZINC000122883341	823428410	/nfs/dbraw/zinc/42/84/10/823428410.db2.gz	CURMSJAVBHXTLU-CQSZACIVSA-N	1	1	386.293	4.261	20	30		GIEDMO
Cc1cc(Br)ccc1NC(=O)C[N@H+](C)[C@H](C)c1ccc(C#N)cc1	ZINC000122883341	823428412	/nfs/dbraw/zinc/42/84/12/823428412.db2.gz	CURMSJAVBHXTLU-CQSZACIVSA-N	1	1	386.293	4.261	20	30		GIEDMO
Cc1ccc([C@@H](NC(=O)C[N@@H+](C)Cc2cccc(C#N)c2)c2cccs2)cc1	ZINC000026326545	820084310	/nfs/dbraw/zinc/08/43/10/820084310.db2.gz	JEDTXPOUHVFECE-HSZRJFAPSA-N	1	1	389.524	4.266	20	30		GIEDMO
Cc1ccc([C@@H](NC(=O)C[N@H+](C)Cc2cccc(C#N)c2)c2cccs2)cc1	ZINC000026326545	820084320	/nfs/dbraw/zinc/08/43/20/820084320.db2.gz	JEDTXPOUHVFECE-HSZRJFAPSA-N	1	1	389.524	4.266	20	30		GIEDMO
Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+](C)[C@@H](C)c2cccs2)c1C#N	ZINC000027554957	820258925	/nfs/dbraw/zinc/25/89/25/820258925.db2.gz	OWKGWHBMSWDSGA-INIZCTEOSA-N	1	1	396.516	4.311	20	30		GIEDMO
Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+](C)[C@@H](C)c2cccs2)c1C#N	ZINC000027554957	820258932	/nfs/dbraw/zinc/25/89/32/820258932.db2.gz	OWKGWHBMSWDSGA-INIZCTEOSA-N	1	1	396.516	4.311	20	30		GIEDMO
O=C(C[N@H+]1CCC[C@@H]1c1ccccc1)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000028173029	820315145	/nfs/dbraw/zinc/31/51/45/820315145.db2.gz	LRPQTSQLEOOVON-HXUWFJFHSA-N	1	1	386.417	4.010	20	30		GIEDMO
C[C@@H](NC(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1)c1ccc(C#N)cc1	ZINC000410362862	823474734	/nfs/dbraw/zinc/47/47/34/823474734.db2.gz	ZCXNPXKELSQUOV-RBUKOAKNSA-N	1	1	390.531	4.351	20	30		GIEDMO
C=CCc1ccc(OC[C@H](O)C[N@H+]2CCc3sccc3[C@H]2CC)c(OC)c1	ZINC000030537259	820635833	/nfs/dbraw/zinc/63/58/33/820635833.db2.gz	LJYDRQHDPRNBPF-IEBWSBKVSA-N	1	1	387.545	4.234	20	30		GIEDMO
COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+](C)Cc1ccc(Cl)cc1	ZINC000042328644	821300614	/nfs/dbraw/zinc/30/06/14/821300614.db2.gz	HRRVMBAUUHBRHD-INIZCTEOSA-N	1	1	385.895	4.116	20	30		GIEDMO
COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+](C)Cc1ccc(Cl)cc1	ZINC000042328644	821300623	/nfs/dbraw/zinc/30/06/23/821300623.db2.gz	HRRVMBAUUHBRHD-INIZCTEOSA-N	1	1	385.895	4.116	20	30		GIEDMO
CC[N@@H+](CC(=O)Nc1ccc(N2CCCC2)cc1)[C@H](C)c1ccc(C#N)cc1	ZINC000042741008	821329113	/nfs/dbraw/zinc/32/91/13/821329113.db2.gz	YKDDPKLQXDTNLL-GOSISDBHSA-N	1	1	376.504	4.180	20	30		GIEDMO
Cc1ccc(Cl)cc1NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000043357239	821397175	/nfs/dbraw/zinc/39/71/75/821397175.db2.gz	IQZHYFSRUSSFKU-UHFFFAOYSA-N	1	1	382.895	4.260	20	30		GIEDMO
CCCc1ccccc1NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000044079752	821517924	/nfs/dbraw/zinc/51/79/24/821517924.db2.gz	JJYRFSCDVFZRDB-UHFFFAOYSA-N	1	1	376.504	4.251	20	30		GIEDMO
N#CC1(C(=O)NC[C@@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)CCCC1	ZINC000044553376	821608484	/nfs/dbraw/zinc/60/84/84/821608484.db2.gz	JPSVNMPOCWVFBU-IBGZPJMESA-N	1	1	379.529	4.048	20	30		GIEDMO
N#CC1(C(=O)NC[C@@H](c2ccccc2)[N@H+]2CCc3sccc3C2)CCCC1	ZINC000044553376	821608486	/nfs/dbraw/zinc/60/84/86/821608486.db2.gz	JPSVNMPOCWVFBU-IBGZPJMESA-N	1	1	379.529	4.048	20	30		GIEDMO
CC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C1	ZINC000178021491	822286493	/nfs/dbraw/zinc/28/64/93/822286493.db2.gz	LBEKOZJUKCPIOK-KRWDZBQOSA-N	1	1	378.476	4.156	20	30		GIEDMO
C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1	ZINC000182914719	822391835	/nfs/dbraw/zinc/39/18/35/822391835.db2.gz	ISUWAJWCFWHFQW-UYAOXDASSA-N	1	1	385.552	4.046	20	30		GIEDMO
Cc1c(C#N)cccc1NC(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1	ZINC000178567921	822392432	/nfs/dbraw/zinc/39/24/32/822392432.db2.gz	MGLYHPMDVGTKLF-UHFFFAOYSA-N	1	1	388.471	4.413	20	30		GIEDMO
Cc1c(C#N)cccc1NC(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1	ZINC000178567921	822392434	/nfs/dbraw/zinc/39/24/34/822392434.db2.gz	MGLYHPMDVGTKLF-UHFFFAOYSA-N	1	1	388.471	4.413	20	30		GIEDMO
C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N(C)Cc2cccc(C#N)c2)cc1	ZINC000045780083	822412779	/nfs/dbraw/zinc/41/27/79/822412779.db2.gz	VNUSWEFFOORNBN-LJQANCHMSA-N	1	1	390.531	4.274	20	30		GIEDMO
CC[N@H+](CC(=O)Nc1c(Cl)cccc1Cl)Cc1ccc(OC)c(C#N)c1	ZINC000179188343	822448416	/nfs/dbraw/zinc/44/84/16/822448416.db2.gz	XNBHPRDZTDYJTR-UHFFFAOYSA-N	1	1	392.286	4.334	20	30		GIEDMO
CC[N@@H+](CC(=O)Nc1c(Cl)cccc1Cl)Cc1ccc(OC)c(C#N)c1	ZINC000179188343	822448418	/nfs/dbraw/zinc/44/84/18/822448418.db2.gz	XNBHPRDZTDYJTR-UHFFFAOYSA-N	1	1	392.286	4.334	20	30		GIEDMO
C[C@H]1CN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)CC[N@@H+](Cc2ccccc2)C1	ZINC000454445654	822477012	/nfs/dbraw/zinc/47/70/12/822477012.db2.gz	MGYHRMQDVJUWGY-LJQANCHMSA-N	1	1	390.531	4.474	20	30		GIEDMO
C[N@H+]1CC[C@@H](CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C1	ZINC000454480019	822482105	/nfs/dbraw/zinc/48/21/05/822482105.db2.gz	GPEKUOMBCZFDOL-HNAYVOBHSA-N	1	1	382.895	4.069	20	30		GIEDMO
CC[N@@H+](Cc1ccc(OCc2noc(C)n2)cc1)[C@@H](C)c1ccc(C#N)cc1	ZINC000179464241	822486551	/nfs/dbraw/zinc/48/65/51/822486551.db2.gz	QQSNKBLQXPMDIY-INIZCTEOSA-N	1	1	376.460	4.412	20	30		GIEDMO
C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@@H](c1nc(C)cs1)C1CC1	ZINC000183512776	822488071	/nfs/dbraw/zinc/48/80/71/822488071.db2.gz	GDAZGSHJLLHOCN-WMLDXEAASA-N	1	1	375.563	4.157	20	30		GIEDMO
N#Cc1nc(-c2ccco2)oc1N1CC[NH+](Cc2ccc(C(F)F)cc2)CC1	ZINC000183963468	822554661	/nfs/dbraw/zinc/55/46/61/822554661.db2.gz	IWBYUCLNOXZEFE-UHFFFAOYSA-N	1	1	384.386	4.066	20	30		GIEDMO
C[C@@H](C[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCC2)c1nccs1	ZINC000183982072	822557550	/nfs/dbraw/zinc/55/75/50/822557550.db2.gz	GCNAYUMYIIXELG-ZDUSSCGKSA-N	1	1	388.562	4.019	20	30		GIEDMO
C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	ZINC000179851023	822566208	/nfs/dbraw/zinc/56/62/08/822566208.db2.gz	OXLRGINFVCUPKH-VQIMIIECSA-N	1	1	376.460	4.051	20	30		GIEDMO
N#Cc1cccc(COc2cccc(C[NH2+]Cc3nncn3-c3ccccc3)c2)c1	ZINC000047702566	822601192	/nfs/dbraw/zinc/60/11/92/822601192.db2.gz	SWLGXQZKPXRVNJ-UHFFFAOYSA-N	1	1	395.466	4.008	20	30		GIEDMO
N#Cc1ccc2ncc(C[N@@H+](Cc3cccc(Br)c3)C3CC3)n2c1	ZINC000180032055	822601222	/nfs/dbraw/zinc/60/12/22/822601222.db2.gz	VKRPLAMTOIBTOF-UHFFFAOYSA-N	1	1	381.277	4.133	20	30		GIEDMO
N#Cc1ccc2ncc(C[N@H+](Cc3cccc(Br)c3)C3CC3)n2c1	ZINC000180032055	822601225	/nfs/dbraw/zinc/60/12/25/822601225.db2.gz	VKRPLAMTOIBTOF-UHFFFAOYSA-N	1	1	381.277	4.133	20	30		GIEDMO
C[C@H](C#N)Oc1ccccc1NC(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1	ZINC000180031852	822601252	/nfs/dbraw/zinc/60/12/52/822601252.db2.gz	RLYBXTRKDTWDKV-QZTJIDSGSA-N	1	1	380.492	4.010	20	30		GIEDMO
C[C@@H](C#N)Oc1ccccc1NC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1	ZINC000180038817	822602452	/nfs/dbraw/zinc/60/24/52/822602452.db2.gz	YREYIWWVYFGYDD-DLBZAZTESA-N	1	1	398.532	4.073	20	30		GIEDMO
CC[C@@H]1CN(C(=O)Nc2ccccc2O[C@@H](C)C#N)CC[N@H+]1Cc1ccccc1	ZINC000184434881	822634427	/nfs/dbraw/zinc/63/44/27/822634427.db2.gz	VSWTWJVZGGPJNC-AZUAARDMSA-N	1	1	392.503	4.106	20	30		GIEDMO
COc1cc(C[NH2+]Cc2ccc(-c3ccccc3C#N)cc2)c([N+](=O)[O-])cc1O	ZINC000180334837	822665260	/nfs/dbraw/zinc/66/52/60/822665260.db2.gz	QECBOGKRLFGAKH-UHFFFAOYSA-N	1	1	389.411	4.137	20	30		GIEDMO
C[C@H](NC(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)c1ccc(C#N)cc1	ZINC000048828064	822684830	/nfs/dbraw/zinc/68/48/30/822684830.db2.gz	IOZLEJBWCKCSDM-OALUTQOASA-N	1	1	390.531	4.351	20	30		GIEDMO
N#CCc1ccc(NC(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)c(Cl)c1	ZINC000455698791	822705615	/nfs/dbraw/zinc/70/56/15/822705615.db2.gz	GMBDTDRRGJLPFS-LJQANCHMSA-N	1	1	396.922	4.092	20	30		GIEDMO
C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)Nc2ccc(CC#N)cc2Cl)C1	ZINC000455704671	822707553	/nfs/dbraw/zinc/70/75/53/822707553.db2.gz	NWBGWHLMVAKASU-QAPCUYQASA-N	1	1	382.895	4.363	20	30		GIEDMO
CC(C)(CNC(=O)Nc1ccc(CC#N)cc1Cl)[N@H+]1CCc2ccccc2C1	ZINC000455754073	822720068	/nfs/dbraw/zinc/72/00/68/822720068.db2.gz	QBRMJHZRSZCMDU-UHFFFAOYSA-N	1	1	396.922	4.364	20	30		GIEDMO
CC(C)(C)Oc1ccc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1C#N	ZINC000455766103	822722448	/nfs/dbraw/zinc/72/24/48/822722448.db2.gz	HTCGTZYQQVZALN-OXQOHEQNSA-N	1	1	396.535	4.216	20	30		GIEDMO
C[C@@H]1C[C@H](N(C)C(=O)Nc2cccc(CC#N)c2)CC[N@H+]1Cc1ccccc1	ZINC000455921435	822749929	/nfs/dbraw/zinc/74/99/29/822749929.db2.gz	OTJLIZXCUVGFRC-XMSQKQJNSA-N	1	1	376.504	4.269	20	30		GIEDMO
C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)Nc2cccc(CC#N)c2)cc1	ZINC000455923082	822750203	/nfs/dbraw/zinc/75/02/03/822750203.db2.gz	SHIZNNJKEWAILM-GOSISDBHSA-N	1	1	376.504	4.449	20	30		GIEDMO
CCOc1ccc(C[N@H+](C)CC(=O)N(CCC#N)c2cccc(C)c2C)cc1	ZINC000051353100	822757553	/nfs/dbraw/zinc/75/75/53/822757553.db2.gz	HATCYWGDAKXALV-UHFFFAOYSA-N	1	1	379.504	4.081	20	30		GIEDMO
CCOc1ccc(C[N@@H+](C)CC(=O)N(CCC#N)c2cccc(C)c2C)cc1	ZINC000051353100	822757555	/nfs/dbraw/zinc/75/75/55/822757555.db2.gz	HATCYWGDAKXALV-UHFFFAOYSA-N	1	1	379.504	4.081	20	30		GIEDMO
CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1cc(C)cc(C#N)c1	ZINC000456012796	822766374	/nfs/dbraw/zinc/76/63/74/822766374.db2.gz	WDZGRQRFNHVMLB-HXUWFJFHSA-N	1	1	376.504	4.243	20	30		GIEDMO
COc1cc(Br)c(C[NH2+][C@@H](C)c2cccc(C#N)c2)cc1OC	ZINC000174430127	822789037	/nfs/dbraw/zinc/78/90/37/822789037.db2.gz	JXIOLWCZJBRREX-LBPRGKRZSA-N	1	1	375.266	4.189	20	30		GIEDMO
COc1ccc([C@@H]2CCCCCN2C(=O)C[N@H+](C)Cc2cccc(C#N)c2)cc1	ZINC000052580270	822804102	/nfs/dbraw/zinc/80/41/02/822804102.db2.gz	ZTYTULSOFZYVBY-QHCPKHFHSA-N	1	1	391.515	4.143	20	30		GIEDMO
COc1ccc([C@@H]2CCCCCN2C(=O)C[N@@H+](C)Cc2cccc(C#N)c2)cc1	ZINC000052580270	822804104	/nfs/dbraw/zinc/80/41/04/822804104.db2.gz	ZTYTULSOFZYVBY-QHCPKHFHSA-N	1	1	391.515	4.143	20	30		GIEDMO
C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC=C(c2c[nH]c3cc(F)ccc32)CC1	ZINC000052823639	822812287	/nfs/dbraw/zinc/81/22/87/822812287.db2.gz	WCTSICTVLUQJCN-MRXNPFEDSA-N	1	1	394.494	4.127	20	30		GIEDMO
C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC=C(c2c[nH]c3cc(F)ccc32)CC1	ZINC000052823639	822812291	/nfs/dbraw/zinc/81/22/91/822812291.db2.gz	WCTSICTVLUQJCN-MRXNPFEDSA-N	1	1	394.494	4.127	20	30		GIEDMO
N#Cc1ccsc1NC(=O)CC[N@@H+]1CCC[C@@H]1Cc1c(F)cccc1Cl	ZINC000053086095	822820936	/nfs/dbraw/zinc/82/09/36/822820936.db2.gz	ZXEQREVKAGEZPA-CQSZACIVSA-N	1	1	391.899	4.448	20	30		GIEDMO
C=C(C)C[C@H](C)C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1	ZINC000185867212	822828449	/nfs/dbraw/zinc/82/84/49/822828449.db2.gz	AFUIBINEPSMPNR-HNNXBMFYSA-N	1	1	379.342	4.132	20	30		GIEDMO
COc1ccc([C@H](C)[N@H+](C)CC(=O)c2cn(CCC#N)c3ccccc23)cc1	ZINC000174815729	822841303	/nfs/dbraw/zinc/84/13/03/822841303.db2.gz	LXQVMITUHYSGOG-KRWDZBQOSA-N	1	1	375.472	4.439	20	30		GIEDMO
COc1ccc([C@H](C)[N@@H+](C)CC(=O)c2cn(CCC#N)c3ccccc23)cc1	ZINC000174815729	822841307	/nfs/dbraw/zinc/84/13/07/822841307.db2.gz	LXQVMITUHYSGOG-KRWDZBQOSA-N	1	1	375.472	4.439	20	30		GIEDMO
C[C@H](c1cccc(C(F)(F)F)c1)[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)C1CC1	ZINC000053616592	822842939	/nfs/dbraw/zinc/84/29/39/822842939.db2.gz	AEFDNYGNTXJLIW-YJYMSZOUSA-N	1	1	379.426	4.039	20	30		GIEDMO
C[C@H](c1cccc(C(F)(F)F)c1)[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)C1CC1	ZINC000053616592	822842942	/nfs/dbraw/zinc/84/29/42/822842942.db2.gz	AEFDNYGNTXJLIW-YJYMSZOUSA-N	1	1	379.426	4.039	20	30		GIEDMO
COc1ccc([C@H]2CCC[N@H+]2CCC(=O)Nc2sc3c(c2C#N)CCC3)cc1	ZINC000054426324	822883977	/nfs/dbraw/zinc/88/39/77/822883977.db2.gz	PTMJVRFXNRYVBM-LJQANCHMSA-N	1	1	395.528	4.283	20	30		GIEDMO
CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NCc2cc(C#N)ccc2F)c1	ZINC000175217106	822906907	/nfs/dbraw/zinc/90/69/07/822906907.db2.gz	NEMXQWBRFXJCQS-UHFFFAOYSA-N	1	1	391.450	4.387	20	30		GIEDMO
N#Cc1ccc(C[N@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)c(C(F)(F)F)c1	ZINC000569399394	822916836	/nfs/dbraw/zinc/91/68/36/822916836.db2.gz	SOBJQQAQARGQFT-QGZVFWFLSA-N	1	1	387.405	4.428	20	30		GIEDMO
C=CCn1c(-c2ccncc2)nn(C[N@H+]2CC[C@@H](c3ccccc3)[C@@H]2C)c1=S	ZINC000175270446	822920714	/nfs/dbraw/zinc/92/07/14/822920714.db2.gz	NRRLJFIYWUFCDL-FXAWDEMLSA-N	1	1	391.544	4.498	20	30		GIEDMO
C=CCn1c(-c2ccncc2)nn(C[N@@H+]2CC[C@@H](c3ccccc3)[C@@H]2C)c1=S	ZINC000175270446	822920720	/nfs/dbraw/zinc/92/07/20/822920720.db2.gz	NRRLJFIYWUFCDL-FXAWDEMLSA-N	1	1	391.544	4.498	20	30		GIEDMO
N#Cc1ccc(-c2nnc(C[NH+]3CCC(c4nc5ccccc5o4)CC3)o2)cc1	ZINC000175486373	822980806	/nfs/dbraw/zinc/98/08/06/822980806.db2.gz	FQTVFISWMPYTJZ-UHFFFAOYSA-N	1	1	385.427	4.129	20	30		GIEDMO
C[C@H]1C[C@H](N(C)C(=O)C2(c3ccc(C#N)cc3)CC2)CC[N@H+]1Cc1ccccc1	ZINC000187162712	823019520	/nfs/dbraw/zinc/01/95/20/823019520.db2.gz	DSYFYDSEJWAXIV-WMZHIEFXSA-N	1	1	387.527	4.101	20	30		GIEDMO
CCC[N@@H+](Cc1ccc(C#N)cc1)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C	ZINC000411162141	823553218	/nfs/dbraw/zinc/55/32/18/823553218.db2.gz	CQWKAPBEYIMKQI-MRXNPFEDSA-N	1	1	380.448	4.014	20	30		GIEDMO
CCC[N@@H+](Cc1ccc(C#N)cc1)[C@H](C)C(=O)Nc1ccc(-c2c[nH]cn2)cc1	ZINC000411165355	823553646	/nfs/dbraw/zinc/55/36/46/823553646.db2.gz	JUUXDYLDLAYLTI-QGZVFWFLSA-N	1	1	387.487	4.188	20	30		GIEDMO
N#Cc1ccc(NC(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)cc1Cl	ZINC000123949484	823554313	/nfs/dbraw/zinc/55/43/13/823554313.db2.gz	GYAXFAPLNZAKSA-UHFFFAOYSA-N	1	1	386.858	4.091	20	30		GIEDMO
N#Cc1ccc(NC(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)cc1Cl	ZINC000123949484	823554315	/nfs/dbraw/zinc/55/43/15/823554315.db2.gz	GYAXFAPLNZAKSA-UHFFFAOYSA-N	1	1	386.858	4.091	20	30		GIEDMO
C=CC[N@@H+](CC1CCCCC1)[C@H](C)C(=O)Nc1cc(NC(C)=O)ccc1OC	ZINC000411263093	823560897	/nfs/dbraw/zinc/56/08/97/823560897.db2.gz	SDXWXQFKPCNXQH-MRXNPFEDSA-N	1	1	387.524	4.049	20	30		GIEDMO
C[C@H](c1cccnc1)[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2	ZINC000411413260	823571401	/nfs/dbraw/zinc/57/14/01/823571401.db2.gz	CVIUZFHIRPHMHK-LSDHHAIUSA-N	1	1	382.533	4.161	20	30		GIEDMO
C[C@@H](NC(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)c1ccc(C#N)cc1	ZINC000061868787	823616970	/nfs/dbraw/zinc/61/69/70/823616970.db2.gz	IOZLEJBWCKCSDM-RTBURBONSA-N	1	1	390.531	4.351	20	30		GIEDMO
COc1ccc(C[N@H+](C)[C@@H](C)C(=O)N(CCC#N)c2ccccc2)cc1Cl	ZINC000412042675	823624152	/nfs/dbraw/zinc/62/41/52/823624152.db2.gz	OIWUPNOZGYYSRV-INIZCTEOSA-N	1	1	385.895	4.116	20	30		GIEDMO
COc1ccc(C[N@@H+](C)[C@@H](C)C(=O)N(CCC#N)c2ccccc2)cc1Cl	ZINC000412042675	823624154	/nfs/dbraw/zinc/62/41/54/823624154.db2.gz	OIWUPNOZGYYSRV-INIZCTEOSA-N	1	1	385.895	4.116	20	30		GIEDMO
N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c1	ZINC000412153809	823631037	/nfs/dbraw/zinc/63/10/37/823631037.db2.gz	GUTZGGYNTXAOFO-GSLIJJQTSA-N	1	1	399.538	4.176	20	30		GIEDMO
N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)c1	ZINC000412237690	823638471	/nfs/dbraw/zinc/63/84/71/823638471.db2.gz	VQFSQCPVIFXIIO-BJKOFHAPSA-N	1	1	399.538	4.176	20	30		GIEDMO
CCc1cccc2c(C3CC[NH+](CC(=O)Nc4sccc4C#N)CC3)c[nH]c21	ZINC000125013974	823645127	/nfs/dbraw/zinc/64/51/27/823645127.db2.gz	RPXQGJJJFHOBOI-UHFFFAOYSA-N	1	1	392.528	4.482	20	30		GIEDMO
COc1cc2c(cc1OC)[C@H](c1ccccc1)[N@H+](Cc1cc(C#N)n(C)c1)CC2	ZINC000191180136	823656969	/nfs/dbraw/zinc/65/69/69/823656969.db2.gz	WLNBKFSUDPMICP-DEOSSOPVSA-N	1	1	387.483	4.062	20	30		GIEDMO
COc1cc2c(cc1OC)[C@H](c1ccccc1)[N@@H+](Cc1cc(C#N)n(C)c1)CC2	ZINC000191180136	823656973	/nfs/dbraw/zinc/65/69/73/823656973.db2.gz	WLNBKFSUDPMICP-DEOSSOPVSA-N	1	1	387.483	4.062	20	30		GIEDMO
C=CC[N@@H+](Cc1cccc(C#N)c1)C[C@H](O)COc1c(Cl)cccc1Cl	ZINC000063300353	823661143	/nfs/dbraw/zinc/66/11/43/823661143.db2.gz	YSMWKZOQHKYOEQ-KRWDZBQOSA-N	1	1	391.298	4.293	20	30		GIEDMO
Cc1cccc(NCCNC(=O)c2ccccc2Sc2ccccc2C#N)[nH+]1	ZINC000461581456	823664278	/nfs/dbraw/zinc/66/42/78/823664278.db2.gz	UAXVRZHWFRGDLK-UHFFFAOYSA-N	1	1	388.496	4.255	20	30		GIEDMO
C[C@H](c1cc(F)ccc1F)[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCC2	ZINC000063522169	823677390	/nfs/dbraw/zinc/67/73/90/823677390.db2.gz	XUANMGHNOJMDPD-GFCCVEGCSA-N	1	1	389.471	4.408	20	30		GIEDMO
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H](C)C[N@@H+](C)Cc1ccccc1	ZINC000461727112	823688260	/nfs/dbraw/zinc/68/82/60/823688260.db2.gz	NSKIXZNAVRNYMY-HXUWFJFHSA-N	1	1	397.567	4.072	20	30		GIEDMO
CC(C)[N@H+]1CC[C@@H](CNC(=O)c2ccccc2Sc2ccccc2C#N)C1	ZINC000063706616	823690355	/nfs/dbraw/zinc/69/03/55/823690355.db2.gz	HGXULKSKJQZRFH-KRWDZBQOSA-N	1	1	379.529	4.170	20	30		GIEDMO
C=CCC(CC=C)C(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1	ZINC000412973298	823695667	/nfs/dbraw/zinc/69/56/67/823695667.db2.gz	QBMGYJGJPHDZAR-UHFFFAOYSA-N	1	1	391.353	4.298	20	30		GIEDMO
C=C(C)Cn1c(S[C@H]2CC[N@@H+](Cc3ccccc3)C2)nnc1-c1ccncc1	ZINC000413002452	823699465	/nfs/dbraw/zinc/69/94/65/823699465.db2.gz	UOZIBVJLVKFVEL-FQEVSTJZSA-N	1	1	391.544	4.283	20	30		GIEDMO
CC1([C@H]2CCC[N@@H+](CCC(C#N)(c3ccccc3)c3ccccc3)C2)OCCO1	ZINC000191611140	823712255	/nfs/dbraw/zinc/71/22/55/823712255.db2.gz	GWKBIUOMDYBUCC-QHCPKHFHSA-N	1	1	390.527	4.361	20	30		GIEDMO
CC(C)C[N@H+]1CCC[C@H](CNC(=O)c2ccccc2-c2ccccc2C#N)C1	ZINC000163615306	823728078	/nfs/dbraw/zinc/72/80/78/823728078.db2.gz	MSUWPEHBXROSNZ-LJQANCHMSA-N	1	1	375.516	4.323	20	30		GIEDMO
C[C@@H](C(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)c1cccc(C#N)c1	ZINC000461910200	823750300	/nfs/dbraw/zinc/75/03/00/823750300.db2.gz	URSVUQVOWUXAPD-RBUKOAKNSA-N	1	1	375.516	4.210	20	30		GIEDMO
CCCN(Cc1ccc(C#N)cc1)C(=O)NCc1cccc(C[N@@H+](C)CC)c1	ZINC000064229587	823775988	/nfs/dbraw/zinc/77/59/88/823775988.db2.gz	VWYAASLWCZDTSB-UHFFFAOYSA-N	1	1	378.520	4.132	20	30		GIEDMO
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C	ZINC000462001012	823790346	/nfs/dbraw/zinc/79/03/46/823790346.db2.gz	RMIADDYGNBSEAT-HDICACEKSA-N	1	1	377.488	4.257	20	30		GIEDMO
N#Cc1c(NC(=O)CC[N@@H+]2CCC[C@H]2c2ccc(F)cc2)sc2c1CCC2	ZINC000164403714	823801211	/nfs/dbraw/zinc/80/12/11/823801211.db2.gz	JZQJXWKLKBZQAZ-SFHVURJKSA-N	1	1	383.492	4.413	20	30		GIEDMO
C[C@@H](C(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1)c1cccc(C#N)c1	ZINC000462152819	823846068	/nfs/dbraw/zinc/84/60/68/823846068.db2.gz	CSOWEVKUEPAVOE-GOSISDBHSA-N	1	1	387.483	4.203	20	30		GIEDMO
C[C@@H](C(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1)c1cccc(C#N)c1	ZINC000462152819	823846072	/nfs/dbraw/zinc/84/60/72/823846072.db2.gz	CSOWEVKUEPAVOE-GOSISDBHSA-N	1	1	387.483	4.203	20	30		GIEDMO
Fc1cccnc1C[NH2+]Cc1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1	ZINC000126356542	823847560	/nfs/dbraw/zinc/84/75/60/823847560.db2.gz	HTKOHRJMGRRKGQ-CQSZACIVSA-N	1	1	382.279	4.383	20	30		GIEDMO
N#Cc1ccccc1NC(=O)CC[N@@H+]1CCC[C@H]1c1ccc(Br)cc1	ZINC000165624222	823855998	/nfs/dbraw/zinc/85/59/98/823855998.db2.gz	OKDXGGOKMODBBX-IBGZPJMESA-N	1	1	398.304	4.486	20	30		GIEDMO
COc1ccc(C#N)cc1NC(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1	ZINC000064742923	823877757	/nfs/dbraw/zinc/87/77/57/823877757.db2.gz	SDYQAFSAIZGKOT-QGZVFWFLSA-N	1	1	392.503	4.263	20	30		GIEDMO
CCN(C(=O)[C@H](C)c1cccc(C#N)c1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1	ZINC000462250031	823897839	/nfs/dbraw/zinc/89/78/39/823897839.db2.gz	YHKHGLMECXHKIC-MSYCTHLASA-N	1	1	375.516	4.346	20	30		GIEDMO
C[N@@H+](CCC(=O)Nc1ccccc1C#N)Cc1ccc(N2CCCCC2)cc1	ZINC000126633597	823916098	/nfs/dbraw/zinc/91/60/98/823916098.db2.gz	AARRMQZTXSXGEY-UHFFFAOYSA-N	1	1	376.504	4.009	20	30		GIEDMO
Cc1oc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccc(OC(F)(F)F)cc2)c(C#N)c1C	ZINC000126836440	823963134	/nfs/dbraw/zinc/96/31/34/823963134.db2.gz	XBTKWBKYMCQTKF-GFCCVEGCSA-N	1	1	395.381	4.126	20	30		GIEDMO
Cc1oc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccc(OC(F)(F)F)cc2)c(C#N)c1C	ZINC000126836440	823963146	/nfs/dbraw/zinc/96/31/46/823963146.db2.gz	XBTKWBKYMCQTKF-GFCCVEGCSA-N	1	1	395.381	4.126	20	30		GIEDMO
C[N@@H+](C[C@@H](O)COc1ccc(CC#N)cc1)C1c2ccccc2-c2ccccc21	ZINC000127076214	824012546	/nfs/dbraw/zinc/01/25/46/824012546.db2.gz	JSMRQAXHQZPSAD-LJQANCHMSA-N	1	1	384.479	4.194	20	30		GIEDMO
CC(C)(C)OC(=O)NC1CC[NH+](Cc2nc(-c3ccc(C#N)cc3)cs2)CC1	ZINC000170991610	824030023	/nfs/dbraw/zinc/03/00/23/824030023.db2.gz	UVCWMOZXRAPGJH-UHFFFAOYSA-N	1	1	398.532	4.171	20	30		GIEDMO
N#Cc1ccc(-c2ccncc2)nc1N1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21	ZINC001164629950	719095556	/nfs/dbraw/zinc/09/55/56/719095556.db2.gz	UMYGLFDUNJQARK-LADGPHEKSA-N	1	1	395.510	4.116	20	30		GIEDMO
Cc1nc(C[N@H+]2CCCC23CCN(c2cc(Cl)cc(C#N)n2)CC3)cs1	ZINC001164694118	719807146	/nfs/dbraw/zinc/80/71/46/719807146.db2.gz	VBEZQPOODTYXEI-UHFFFAOYSA-N	1	1	387.940	4.007	20	30		GIEDMO
N#Cc1cc(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)nc2ccccc12	ZINC001164996661	722207670	/nfs/dbraw/zinc/20/76/70/722207670.db2.gz	UXPVPRGPVWNZQD-XMMPIXPASA-N	1	1	386.474	4.490	20	30		GIEDMO
N#Cc1cc(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)nc2ccccc12	ZINC001164996659	722207696	/nfs/dbraw/zinc/20/76/96/722207696.db2.gz	UXPVPRGPVWNZQD-DEOSSOPVSA-N	1	1	386.474	4.490	20	30		GIEDMO
N#CCc1cnc(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)c(Cl)c1	ZINC001164995029	722211269	/nfs/dbraw/zinc/21/12/69/722211269.db2.gz	FNAUHIPRDKYVGX-OAQYLSRUSA-N	1	1	384.886	4.185	20	30		GIEDMO
N#CCc1cnc(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)c(Cl)c1	ZINC001164995029	722211274	/nfs/dbraw/zinc/21/12/74/722211274.db2.gz	FNAUHIPRDKYVGX-OAQYLSRUSA-N	1	1	384.886	4.185	20	30		GIEDMO
C[C@H](NC(=O)N[C@H](CCCC#N)c1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1	ZINC000458630563	823066944	/nfs/dbraw/zinc/06/69/44/823066944.db2.gz	KKKKOWDSGYCHFY-CZTZKLFOSA-N	1	1	382.552	4.374	20	30		GIEDMO
Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)Nc2cc(C#N)cn2C(C)(C)C)cc1	ZINC000175994570	823090749	/nfs/dbraw/zinc/09/07/49/823090749.db2.gz	GSYIIJHMBINBEV-HNNXBMFYSA-N	1	1	390.491	4.492	20	30		GIEDMO
CCCN(C(=O)N[C@H]1CC[C@@H](CC#N)C1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1	ZINC000459021442	823117756	/nfs/dbraw/zinc/11/77/56/823117756.db2.gz	XFEJPXIBJUGLMG-ILWGZMRPSA-N	1	1	382.552	4.155	20	30		GIEDMO
C=C(C)[C@@H]([NH2+]CC(=O)Nc1ccccc1OC(F)F)c1ccc(F)c(F)c1	ZINC000187769130	823129360	/nfs/dbraw/zinc/12/93/60/823129360.db2.gz	PCOORVBHSBHWJU-GOSISDBHSA-N	1	1	382.357	4.412	20	30		GIEDMO
Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)CSc2ccc(C#N)cc2)cc1	ZINC000176189431	823148360	/nfs/dbraw/zinc/14/83/60/823148360.db2.gz	UKBLNNJZNOVGMR-OAHLLOKOSA-N	1	1	376.485	4.022	20	30		GIEDMO
COc1cc(C#N)ccc1C[N@H+]1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1	ZINC000121357116	823169777	/nfs/dbraw/zinc/16/97/77/823169777.db2.gz	PGQYPUVMDJYWTE-SFHVURJKSA-N	1	1	392.434	4.136	20	30		GIEDMO
C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1Cc1cn(CCC#N)nc1-c1ccncc1	ZINC000571601744	823206190	/nfs/dbraw/zinc/20/61/90/823206190.db2.gz	ZCRKELVGYLPVGZ-XLIONFOSSA-N	1	1	389.478	4.376	20	30		GIEDMO
CC(C)(CCC#N)C[N@H+]1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn32)C1	ZINC000121756903	823244433	/nfs/dbraw/zinc/24/44/33/823244433.db2.gz	MDTRJEWREYSOBO-AWEZNQCLSA-N	1	1	379.430	4.257	20	30		GIEDMO
C=CCOc1ccc(Br)cc1NCc1ncc(C[NH+](C)C)s1	ZINC000459691311	823251557	/nfs/dbraw/zinc/25/15/57/823251557.db2.gz	DDGPSLVWOCAHBB-UHFFFAOYSA-N	1	1	382.327	4.144	20	30		GIEDMO
CC[N@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)Cc1cccs1	ZINC000007614161	817879571	/nfs/dbraw/zinc/87/95/71/817879571.db2.gz	MSHZOIOOWOULAU-UHFFFAOYSA-N	1	1	396.516	4.140	20	30		GIEDMO
CC[N@@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)Cc1cccs1	ZINC000007614161	817879580	/nfs/dbraw/zinc/87/95/80/817879580.db2.gz	MSHZOIOOWOULAU-UHFFFAOYSA-N	1	1	396.516	4.140	20	30		GIEDMO
CCOc1ccc(C[N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCC3)cc1	ZINC000007686828	817895144	/nfs/dbraw/zinc/89/51/44/817895144.db2.gz	BGDXBAOGIXWOAD-UHFFFAOYSA-N	1	1	397.544	4.358	20	30		GIEDMO
C[N@@H+](Cc1ccccc1NCC(=O)Nc1ccc(C#N)cc1)C1CCCCC1	ZINC000007977064	817972816	/nfs/dbraw/zinc/97/28/16/817972816.db2.gz	LMCONLVEAPQSIP-UHFFFAOYSA-N	1	1	376.504	4.373	20	30		GIEDMO
CC(C)[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1cccc(C#N)c1	ZINC000057597222	823313198	/nfs/dbraw/zinc/31/31/98/823313198.db2.gz	JTPVSTWPTCUNCT-UHFFFAOYSA-N	1	1	375.394	4.426	20	30		GIEDMO
CC(C)[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1cccc(C#N)c1	ZINC000057597222	823313205	/nfs/dbraw/zinc/31/32/05/823313205.db2.gz	JTPVSTWPTCUNCT-UHFFFAOYSA-N	1	1	375.394	4.426	20	30		GIEDMO
Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+](C)CCOc2ccccc2)c1C#N	ZINC000012809419	818183235	/nfs/dbraw/zinc/18/32/35/818183235.db2.gz	DGNOIZFRPKEBIL-UHFFFAOYSA-N	1	1	394.519	4.041	20	30		GIEDMO
Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+](C)CCOc2ccccc2)c1C#N	ZINC000012809419	818183240	/nfs/dbraw/zinc/18/32/40/818183240.db2.gz	DGNOIZFRPKEBIL-UHFFFAOYSA-N	1	1	394.519	4.041	20	30		GIEDMO
C[C@@H](CNC(=O)c1ccccc1SCc1ccc(C#N)cc1)[N@@H+](C)C1CC1	ZINC000057714242	823324235	/nfs/dbraw/zinc/32/42/35/823324235.db2.gz	INAWXLFPCWHBEB-INIZCTEOSA-N	1	1	379.529	4.063	20	30		GIEDMO
CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)c2c(F)cc(C#N)cc2F)c1	ZINC000122288504	823332814	/nfs/dbraw/zinc/33/28/14/823332814.db2.gz	GYJHHHRNYUFOPS-UHFFFAOYSA-N	1	1	380.398	4.457	20	30		GIEDMO
C[N@@H+](CCOc1ccccc1)CCC(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC000016372603	818429753	/nfs/dbraw/zinc/42/97/53/818429753.db2.gz	IOBNDWJDYMMUJC-UHFFFAOYSA-N	1	1	397.544	4.228	20	30		GIEDMO
Cc1ccc2c(ncc(C#N)c2N2CC[C@]3(C2)CCC[N@H+](C)C3)c1Br	ZINC000572583750	823365496	/nfs/dbraw/zinc/36/54/96/823365496.db2.gz	ISQQGVCNLUAJCA-HXUWFJFHSA-N	1	1	399.336	4.100	20	30		GIEDMO
C[C@H]1CCc2c(C(=O)N3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)csc2C1	ZINC000023450898	818942321	/nfs/dbraw/zinc/94/23/21/818942321.db2.gz	FRFGEBVJDYVXBJ-KRWDZBQOSA-N	1	1	393.556	4.093	20	30		GIEDMO
C[C@H]1CCc2c(C(=O)N3CCC[N@@H+](Cc4ccc(C#N)cc4)CC3)csc2C1	ZINC000023450898	818942327	/nfs/dbraw/zinc/94/23/27/818942327.db2.gz	FRFGEBVJDYVXBJ-KRWDZBQOSA-N	1	1	393.556	4.093	20	30		GIEDMO
C[C@@H]1CCc2c(C(=O)N3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)csc2C1	ZINC000023450896	818942415	/nfs/dbraw/zinc/94/24/15/818942415.db2.gz	FRFGEBVJDYVXBJ-QGZVFWFLSA-N	1	1	393.556	4.093	20	30		GIEDMO
C[C@@H]1CCc2c(C(=O)N3CCC[N@@H+](Cc4ccc(C#N)cc4)CC3)csc2C1	ZINC000023450896	818942424	/nfs/dbraw/zinc/94/24/24/818942424.db2.gz	FRFGEBVJDYVXBJ-QGZVFWFLSA-N	1	1	393.556	4.093	20	30		GIEDMO
C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(c2nc3ccccc3s2)CC1	ZINC000023993039	819004282	/nfs/dbraw/zinc/00/42/82/819004282.db2.gz	SCTJTORVLKXWIC-MRXNPFEDSA-N	1	1	396.560	4.207	20	30		GIEDMO
CC(C)[N@@H+](Cc1cn2cc(Br)ccc2n1)Cc1ccc(C#N)cc1	ZINC000058398306	823385887	/nfs/dbraw/zinc/38/58/87/823385887.db2.gz	XTVWPEPHZSNCIV-UHFFFAOYSA-N	1	1	383.293	4.379	20	30		GIEDMO
Cc1cccc(N(CCC#N)C(=O)C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)c1C	ZINC000058396965	823385902	/nfs/dbraw/zinc/38/59/02/823385902.db2.gz	XLAWLKFKEVDCHZ-UHFFFAOYSA-N	1	1	388.515	4.332	20	30		GIEDMO
Cc1ccsc1[C@H](Cc1ccccc1)[NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1	ZINC000122770552	823409395	/nfs/dbraw/zinc/40/93/95/823409395.db2.gz	BLUVYOJTIDGKCL-VQTJNVASSA-N	1	1	375.497	4.028	20	30		GIEDMO
C[C@H](c1ccccc1Br)[N@@H+](C)CCC(=O)Nc1sccc1C#N	ZINC000122893048	823430038	/nfs/dbraw/zinc/43/00/38/823430038.db2.gz	GXTDAPVPLOFABI-GFCCVEGCSA-N	1	1	392.322	4.404	20	30		GIEDMO
C=C(C)Cn1c(C2CC2)nnc1N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1	ZINC000460556225	823431332	/nfs/dbraw/zinc/43/13/32/823431332.db2.gz	SFSADHYZPWYXFA-RXVVDRJESA-N	1	1	379.552	4.221	20	30		GIEDMO
CCc1[nH+]ccn1[C@@H]1CCCN(c2c(C#N)cnc3c(F)ccc(Cl)c32)C1	ZINC000122911341	823432878	/nfs/dbraw/zinc/43/28/78/823432878.db2.gz	SQUPMDSSUIYEES-CQSZACIVSA-N	1	1	383.858	4.499	20	30		GIEDMO
C[N@@H+](Cc1ccccc1NS(=O)(=O)c1ccc(C#N)cc1)C1CCCCC1	ZINC000026094084	820057184	/nfs/dbraw/zinc/05/71/84/820057184.db2.gz	HKGBDVNMMIGQIX-UHFFFAOYSA-N	1	1	383.517	4.124	20	30		GIEDMO
C[C@H](NC(=O)C[N@H+](C)Cc1cccc(C#N)c1)c1ccc(Cl)c(Cl)c1	ZINC000026325697	820083956	/nfs/dbraw/zinc/08/39/56/820083956.db2.gz	AHHICUHGFNRORH-ZDUSSCGKSA-N	1	1	376.287	4.174	20	30		GIEDMO
C[C@H](NC(=O)C[N@@H+](C)Cc1cccc(C#N)c1)c1ccc(Cl)c(Cl)c1	ZINC000026325697	820083966	/nfs/dbraw/zinc/08/39/66/820083966.db2.gz	AHHICUHGFNRORH-ZDUSSCGKSA-N	1	1	376.287	4.174	20	30		GIEDMO
C[N@H+](CC(=O)N[C@H](c1cccs1)c1ccc(F)cc1)Cc1cccc(C#N)c1	ZINC000026327003	820084132	/nfs/dbraw/zinc/08/41/32/820084132.db2.gz	RAATTZKBPUQQLF-QFIPXVFZSA-N	1	1	393.487	4.096	20	30		GIEDMO
C[N@@H+](CC(=O)N[C@H](c1cccs1)c1ccc(F)cc1)Cc1cccc(C#N)c1	ZINC000026327003	820084141	/nfs/dbraw/zinc/08/41/41/820084141.db2.gz	RAATTZKBPUQQLF-QFIPXVFZSA-N	1	1	393.487	4.096	20	30		GIEDMO
C[N@@H+](CCC(=O)NC(c1ccccc1)c1ccccc1)Cc1cccc(C#N)c1	ZINC000026329403	820084803	/nfs/dbraw/zinc/08/48/03/820084803.db2.gz	CPPCUASFWIPPBH-UHFFFAOYSA-N	1	1	383.495	4.286	20	30		GIEDMO
COc1ccc2cc(C[N@H+](C)[C@@H](C)C(=O)Nc3oc(C)c(C)c3C#N)ccc2c1	ZINC000027261131	820216858	/nfs/dbraw/zinc/21/68/58/820216858.db2.gz	HUJMQNGPJRDBEG-HNNXBMFYSA-N	1	1	391.471	4.389	20	30		GIEDMO
COc1ccc2cc(C[N@@H+](C)[C@@H](C)C(=O)Nc3oc(C)c(C)c3C#N)ccc2c1	ZINC000027261131	820216864	/nfs/dbraw/zinc/21/68/64/820216864.db2.gz	HUJMQNGPJRDBEG-HNNXBMFYSA-N	1	1	391.471	4.389	20	30		GIEDMO
C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1	ZINC000573296003	823477362	/nfs/dbraw/zinc/47/73/62/823477362.db2.gz	BPHNARNHSYGNSG-CDNTWCJUSA-N	1	1	381.545	4.021	20	30		GIEDMO
Cc1ccc(SCCC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1	ZINC000029983809	820560464	/nfs/dbraw/zinc/56/04/64/820560464.db2.gz	WAUXJJFIRALCSG-UHFFFAOYSA-N	1	1	393.556	4.083	20	30		GIEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)/C=C/c3ccc(Cl)s3)CC2)cc1	ZINC000029985696	820561309	/nfs/dbraw/zinc/56/13/09/820561309.db2.gz	YPEOBXQFPSDSME-VQHVLOKHSA-N	1	1	385.920	4.021	20	30		GIEDMO
Cc1ccc(S[C@@H](C)C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1	ZINC000029984671	820561395	/nfs/dbraw/zinc/56/13/95/820561395.db2.gz	KSFUTNKDCRQWFO-IBGZPJMESA-N	1	1	393.556	4.082	20	30		GIEDMO
Cc1ccc(S[C@@H](C)C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1	ZINC000029984671	820561398	/nfs/dbraw/zinc/56/13/98/820561398.db2.gz	KSFUTNKDCRQWFO-IBGZPJMESA-N	1	1	393.556	4.082	20	30		GIEDMO
COc1cc(CN(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)ccc1OCc1cccc(C#N)c1	ZINC000123273120	823488772	/nfs/dbraw/zinc/48/87/72/823488772.db2.gz	RWVLYBDCFFFJTL-XMSQKQJNSA-N	1	1	393.531	4.060	20	30		GIEDMO
COc1cc(C[N@H+](C)[C@@H]2CCN(C)[C@H](C)C2)ccc1OCc1cccc(C#N)c1	ZINC000123273120	823488776	/nfs/dbraw/zinc/48/87/76/823488776.db2.gz	RWVLYBDCFFFJTL-XMSQKQJNSA-N	1	1	393.531	4.060	20	30		GIEDMO
COc1cc(C[N@@H+](C)[C@@H]2CCN(C)[C@H](C)C2)ccc1OCc1cccc(C#N)c1	ZINC000123273120	823488779	/nfs/dbraw/zinc/48/87/79/823488779.db2.gz	RWVLYBDCFFFJTL-XMSQKQJNSA-N	1	1	393.531	4.060	20	30		GIEDMO
C[C@H]([NH2+]Cc1cc(C#N)cs1)c1cc2c(cc1Br)OCCO2	ZINC000177688048	823513756	/nfs/dbraw/zinc/51/37/56/823513756.db2.gz	DZZJMFPSVDNXIE-JTQLQIEISA-N	1	1	379.279	4.004	20	30		GIEDMO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccc(Cl)cc3Cl)CC2)cc1	ZINC000037143003	821090601	/nfs/dbraw/zinc/09/06/01/821090601.db2.gz	DUPRKNYOGSRGBP-UHFFFAOYSA-N	1	1	388.298	4.213	20	30		GIEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc(Cl)cc3Cl)CC2)cc1	ZINC000037143003	821090610	/nfs/dbraw/zinc/09/06/10/821090610.db2.gz	DUPRKNYOGSRGBP-UHFFFAOYSA-N	1	1	388.298	4.213	20	30		GIEDMO
C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCC(C(=O)c2ccc(Cl)cc2)CC1	ZINC000060482573	823533056	/nfs/dbraw/zinc/53/30/56/823533056.db2.gz	YUSIBDGERQAAEB-INIZCTEOSA-N	1	1	376.928	4.048	20	30		GIEDMO
COc1ccc(C)cc1NC(=O)[C@@H]([NH2+]Cc1cccc(C#N)c1)c1ccccc1	ZINC000042183249	821280019	/nfs/dbraw/zinc/28/00/19/821280019.db2.gz	JAGZKBOPRYDKQV-QHCPKHFHSA-N	1	1	385.467	4.345	20	30		GIEDMO
C[C@@H](NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)c1ccccc1Cl	ZINC000043182616	821375478	/nfs/dbraw/zinc/37/54/78/821375478.db2.gz	ZZQCBUKYAPJGQL-QGZVFWFLSA-N	1	1	396.922	4.190	20	30		GIEDMO
C[C@@H]([NH2+][C@@H](C)C(=O)Nc1c(F)c(F)c(F)c(F)c1F)c1ccc(F)cc1F	ZINC000181587111	821891875	/nfs/dbraw/zinc/89/18/75/821891875.db2.gz	OHBYTAQEMJCJSF-RQJHMYQMSA-N	1	1	394.290	4.338	20	30		GIEDMO
Cc1csc([C@@H]([NH2+]CC(=O)N(CCC#N)c2cc(C)cc(C)c2)C2CC2)n1	ZINC000181611414	821903165	/nfs/dbraw/zinc/90/31/65/821903165.db2.gz	LDAYTSANHLRTPW-FQEVSTJZSA-N	1	1	382.533	4.056	20	30		GIEDMO
C[C@H](NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1)c1ccc(OCC#N)cc1	ZINC000181783906	821990764	/nfs/dbraw/zinc/99/07/64/821990764.db2.gz	MJHUAPVDEMQVMS-PMACEKPBSA-N	1	1	393.531	4.140	20	30		GIEDMO
CC[C@@H]([NH2+]CC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1c(C)noc1C	ZINC000182447625	822245868	/nfs/dbraw/zinc/24/58/68/822245868.db2.gz	VESBBSRZFXUWIL-XJKSGUPXSA-N	1	1	386.521	4.223	20	30		GIEDMO
CC(C)[NH+]1CCN(C(=O)c2ccccc2SCc2ccc(C#N)cc2)CC1	ZINC000045430361	822387188	/nfs/dbraw/zinc/38/71/88/822387188.db2.gz	NSZKOOJCSBVQDP-UHFFFAOYSA-N	1	1	379.529	4.017	20	30		GIEDMO
CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1	ZINC000182938661	822396344	/nfs/dbraw/zinc/39/63/44/822396344.db2.gz	IEBOJIRKOFUWBF-AEFFLSMTSA-N	1	1	384.524	4.120	20	30		GIEDMO
C=CCOc1ccc(C[N@@H+](Cc2cn(Cc3cccnc3)nn2)C(C)(C)C)cc1	ZINC000182960020	822400295	/nfs/dbraw/zinc/40/02/95/822400295.db2.gz	LWRSKLBFHNORQV-UHFFFAOYSA-N	1	1	391.519	4.087	20	30		GIEDMO
C=CCOc1ccc(C[N@H+](Cc2cn(Cc3cccnc3)nn2)C(C)(C)C)cc1	ZINC000182960020	822400298	/nfs/dbraw/zinc/40/02/98/822400298.db2.gz	LWRSKLBFHNORQV-UHFFFAOYSA-N	1	1	391.519	4.087	20	30		GIEDMO
COc1ccc2cc(C[N@H+](C)CC(=O)Nc3oc(C)c(C)c3C#N)ccc2c1	ZINC000045668084	822403558	/nfs/dbraw/zinc/40/35/58/822403558.db2.gz	RZBDLVZBHGDSFU-UHFFFAOYSA-N	1	1	377.444	4.000	20	30		GIEDMO
COc1ccc2cc(C[N@@H+](C)CC(=O)Nc3oc(C)c(C)c3C#N)ccc2c1	ZINC000045668084	822403562	/nfs/dbraw/zinc/40/35/62/822403562.db2.gz	RZBDLVZBHGDSFU-UHFFFAOYSA-N	1	1	377.444	4.000	20	30		GIEDMO
COc1ccc(CN[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1OCCCC#N	ZINC000183102951	822424576	/nfs/dbraw/zinc/42/45/76/822424576.db2.gz	AYADZMQCQKYCCV-ICSRJNTNSA-N	1	1	385.552	4.120	20	30		GIEDMO
COc1ccc(CN[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1OCCCC#N	ZINC000183102951	822424577	/nfs/dbraw/zinc/42/45/77/822424577.db2.gz	AYADZMQCQKYCCV-ICSRJNTNSA-N	1	1	385.552	4.120	20	30		GIEDMO
N#CCCn1cc(C[N@@H+]2CC[C@H](Oc3cccc(F)c3)C2)c(-c2ccccc2)n1	ZINC000183210422	822442138	/nfs/dbraw/zinc/44/21/38/822442138.db2.gz	SAAZGNLNICVENE-QFIPXVFZSA-N	1	1	390.462	4.256	20	30		GIEDMO
Cn1cc(C[N@H+](C)Cc2ccc(OCC(F)(F)F)c(F)c2)c(C(F)(F)F)n1	ZINC000183397288	822468017	/nfs/dbraw/zinc/46/80/17/822468017.db2.gz	XEOSZQFMMBAVDF-UHFFFAOYSA-N	1	1	399.310	4.151	20	30		GIEDMO
Cn1cc(C[N@@H+](C)Cc2ccc(OCC(F)(F)F)c(F)c2)c(C(F)(F)F)n1	ZINC000183397288	822468022	/nfs/dbraw/zinc/46/80/22/822468022.db2.gz	XEOSZQFMMBAVDF-UHFFFAOYSA-N	1	1	399.310	4.151	20	30		GIEDMO
C[N@@H+](CCCCNC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)C1CC1	ZINC000454568149	822498127	/nfs/dbraw/zinc/49/81/27/822498127.db2.gz	PCQUKUZUEVMYMU-UHFFFAOYSA-N	1	1	378.476	4.346	20	30		GIEDMO
C[C@@H](CCCc1ccccc1)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000179638740	822517660	/nfs/dbraw/zinc/51/76/60/822517660.db2.gz	BVKQKRHBDNLCKS-NRFANRHFSA-N	1	1	389.543	4.252	20	30		GIEDMO
C[C@@H](CCCc1ccccc1)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000179638740	822517663	/nfs/dbraw/zinc/51/76/63/822517663.db2.gz	BVKQKRHBDNLCKS-NRFANRHFSA-N	1	1	389.543	4.252	20	30		GIEDMO
C[C@@H](C#N)CSc1ccccc1NC(=O)C[NH2+]C1(c2ccccc2F)CC1	ZINC000179651977	822520104	/nfs/dbraw/zinc/52/01/04/822520104.db2.gz	QWKSCZZSHYRUOZ-HNNXBMFYSA-N	1	1	383.492	4.295	20	30		GIEDMO
COc1cc(C[NH2+]C[C@@H](C)C#N)cc(Br)c1OCc1ccccc1	ZINC000183813491	822530886	/nfs/dbraw/zinc/53/08/86/822530886.db2.gz	JJWFHQOWSDFNAG-AWEZNQCLSA-N	1	1	389.293	4.286	20	30		GIEDMO
C[C@@H]1CCC[N@@H+](CCCCNC(=O)c2ccccc2-c2ccccc2C#N)C1	ZINC000047187821	822552575	/nfs/dbraw/zinc/55/25/75/822552575.db2.gz	DOODOOQMNBCVDT-LJQANCHMSA-N	1	1	375.516	4.467	20	30		GIEDMO
C[C@H]1CN(C(=O)Nc2ccc(C#N)cc2Cl)CC[N@@H+](Cc2ccccc2)C1	ZINC000455000995	822568310	/nfs/dbraw/zinc/56/83/10/822568310.db2.gz	YXWKMQRUBNJROC-MRXNPFEDSA-N	1	1	382.895	4.197	20	30		GIEDMO
C=CCOc1c(Br)cc(C[NH+]2CCC(C)(CO)CC2)cc1OCC	ZINC000184069261	822573841	/nfs/dbraw/zinc/57/38/41/822573841.db2.gz	ZVGNHOKAPRGYRQ-UHFFFAOYSA-N	1	1	398.341	4.007	20	30		GIEDMO
Cn1cc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c(-c2ccc(C#N)cc2)n1	ZINC000179933511	822579845	/nfs/dbraw/zinc/57/98/45/822579845.db2.gz	PDJMADSMWHCODK-UHFFFAOYSA-N	1	1	387.443	4.032	20	30		GIEDMO
C=CCN(CCC#N)C(=O)Nc1ccc(C[N@H+](C[C@@H]2CCCCO2)C(C)C)cc1	ZINC000455078720	822586218	/nfs/dbraw/zinc/58/62/18/822586218.db2.gz	SALNAFPQXGANKB-QFIPXVFZSA-N	1	1	398.551	4.400	20	30		GIEDMO
C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)C1	ZINC000180001449	822593275	/nfs/dbraw/zinc/59/32/75/822593275.db2.gz	NNHZPWHNZSIYFI-TZIWHRDSSA-N	1	1	391.563	4.045	20	30		GIEDMO
Cn1cc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)c(-c2ccc([N+](=O)[O-])cc2)n1	ZINC000180028494	822600364	/nfs/dbraw/zinc/60/03/64/822600364.db2.gz	TWNVYMSZUOIYCR-UHFFFAOYSA-N	1	1	387.443	4.032	20	30		GIEDMO
C[C@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1nc(C(C)(C)C)cs1	ZINC000184462687	822639994	/nfs/dbraw/zinc/63/99/94/822639994.db2.gz	FAWKFQJFKQFZKH-YOEHRIQHSA-N	1	1	382.533	4.158	20	30		GIEDMO
C[C@H]1C[C@@H](NCc2cn(C)nc2-c2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1	ZINC000180282229	822654694	/nfs/dbraw/zinc/65/46/94/822654694.db2.gz	JCOWUPYXUZPEIU-CYFREDJKSA-N	1	1	399.542	4.101	20	30		GIEDMO
C[C@H]1C[C@@H](NCc2cn(C)nc2-c2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1	ZINC000180282229	822654695	/nfs/dbraw/zinc/65/46/95/822654695.db2.gz	JCOWUPYXUZPEIU-CYFREDJKSA-N	1	1	399.542	4.101	20	30		GIEDMO
C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)c1ccc(OCC#N)cc1	ZINC000180538569	822698509	/nfs/dbraw/zinc/69/85/09/822698509.db2.gz	RDNHSNGNTMXMBZ-JJXTWPQTSA-N	1	1	375.516	4.435	20	30		GIEDMO
C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccc(OCC#N)cc1	ZINC000180538569	822698510	/nfs/dbraw/zinc/69/85/10/822698510.db2.gz	RDNHSNGNTMXMBZ-JJXTWPQTSA-N	1	1	375.516	4.435	20	30		GIEDMO
C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccc(OCC#N)cc1	ZINC000180538569	822698513	/nfs/dbraw/zinc/69/85/13/822698513.db2.gz	RDNHSNGNTMXMBZ-JJXTWPQTSA-N	1	1	375.516	4.435	20	30		GIEDMO
C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2ccc(C3(C#N)CC3)cc2)CC1	ZINC000180541166	822698897	/nfs/dbraw/zinc/69/88/97/822698897.db2.gz	LDLAYTUFJBHSBU-LJQANCHMSA-N	1	1	379.548	4.358	20	30		GIEDMO
C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)Nc1ccc(CC#N)cc1Cl	ZINC000455697254	822705309	/nfs/dbraw/zinc/70/53/09/822705309.db2.gz	DLORAYGISPBPTE-OXQOHEQNSA-N	1	1	396.922	4.438	20	30		GIEDMO
C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)Nc1ccc(CC#N)cc1Cl	ZINC000455724530	822714285	/nfs/dbraw/zinc/71/42/85/822714285.db2.gz	CDUDFJJHTNALGI-YWZLYKJASA-N	1	1	382.895	4.048	20	30		GIEDMO
C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)Nc2cnc(C#N)c(Cl)c2)CC1	ZINC000455775440	822724400	/nfs/dbraw/zinc/72/44/00/822724400.db2.gz	DEANLPXIRWIGAR-HNNXBMFYSA-N	1	1	389.931	4.115	20	30		GIEDMO
N#Cc1ccccc1Sc1ccc(NC(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1	ZINC000455944102	822755077	/nfs/dbraw/zinc/75/50/77/822755077.db2.gz	MJSHNLMRJDTHCR-RTBURBONSA-N	1	1	392.528	4.458	20	30		GIEDMO
Cc1cc(C#N)cc(NC(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)c1	ZINC000456009468	822765863	/nfs/dbraw/zinc/76/58/63/822765863.db2.gz	SXJXZGVCQULXRV-UHFFFAOYSA-N	1	1	376.504	4.243	20	30		GIEDMO
CC[C@H](C#N)Oc1cc(CNC2CC[NH+](Cc3ccccc3)CC2)ccc1OC	ZINC000174386892	822781906	/nfs/dbraw/zinc/78/19/06/822781906.db2.gz	AINGMWICBXJBKQ-JOCHJYFZSA-N	1	1	393.531	4.130	20	30		GIEDMO
C=C(C)[C@H](NC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccc(F)c(F)c1	ZINC000185447795	822785453	/nfs/dbraw/zinc/78/54/53/822785453.db2.gz	QFFADESGAXPGPO-HBGVWJBISA-N	1	1	389.490	4.240	20	30		GIEDMO
COc1cc(Br)c(C[NH2+][C@H](C)c2cccc(C#N)c2)cc1OC	ZINC000174430142	822789048	/nfs/dbraw/zinc/78/90/48/822789048.db2.gz	JXIOLWCZJBRREX-GFCCVEGCSA-N	1	1	375.266	4.189	20	30		GIEDMO
Cc1[nH+]ccn1CCNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	ZINC000052252955	822794336	/nfs/dbraw/zinc/79/43/36/822794336.db2.gz	ZPXAJPJGERVZRE-IBGZPJMESA-N	1	1	393.878	4.322	20	30		GIEDMO
CC[N@@H+](C)C[C@H]1CCN(C(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)C1	ZINC000174481205	822795404	/nfs/dbraw/zinc/79/54/04/822795404.db2.gz	JVRJCNJYXVQOJG-MRXNPFEDSA-N	1	1	397.906	4.418	20	30		GIEDMO
Cc1sc2nc(C[NH+]3CCCC3)nc(NCc3ccc(C#N)cc3)c2c1C	ZINC000052356283	822797174	/nfs/dbraw/zinc/79/71/74/822797174.db2.gz	UTWOBQLSWDYHOP-UHFFFAOYSA-N	1	1	377.517	4.388	20	30		GIEDMO
Cc1cc([NH+]2CCCC2)ccc1N[C@@H](C)C(=O)N(CCC#N)c1ccccc1	ZINC000052774316	822810163	/nfs/dbraw/zinc/81/01/63/822810163.db2.gz	HLYIFUNYCFLSPJ-IBGZPJMESA-N	1	1	376.504	4.343	20	30		GIEDMO
C[C@H](NCc1ccc(C#N)cc1Br)[C@H]1CCC[N@H+](C2CCC2)C1	ZINC000185769164	822819548	/nfs/dbraw/zinc/81/95/48/822819548.db2.gz	DOSFMGXKZKAVQU-YOEHRIQHSA-N	1	1	376.342	4.063	20	30		GIEDMO
CC#CCCCC(=O)N(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F	ZINC000185950182	822836352	/nfs/dbraw/zinc/83/63/52/822836352.db2.gz	SFHMQRATPKKYMP-LJQANCHMSA-N	1	1	380.454	4.093	20	30		GIEDMO
N#CCCn1cc(C(=O)C[N@H+](Cc2ccc(C#N)cc2)C2CC2)c2ccccc21	ZINC000174835335	822843830	/nfs/dbraw/zinc/84/38/30/822843830.db2.gz	UICZPWDUTXNUFA-UHFFFAOYSA-N	1	1	382.467	4.274	20	30		GIEDMO
N#CCCn1cc(C(=O)C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)c2ccccc21	ZINC000174835335	822843834	/nfs/dbraw/zinc/84/38/34/822843834.db2.gz	UICZPWDUTXNUFA-UHFFFAOYSA-N	1	1	382.467	4.274	20	30		GIEDMO
CCC[C@@H](NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)c1ccccc1	ZINC000053976568	822855136	/nfs/dbraw/zinc/85/51/36/822855136.db2.gz	QHUOSWUCCMKQSF-HSZRJFAPSA-N	1	1	390.531	4.317	20	30		GIEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)CCc3ccc4ccccc4c3)CC2)cc1	ZINC000054148703	822864258	/nfs/dbraw/zinc/86/42/58/822864258.db2.gz	RZQNJILBSMHPCG-UHFFFAOYSA-N	1	1	397.522	4.379	20	30		GIEDMO
C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H](CC(=O)NCc2ccc(F)cc2)C1	ZINC000569337021	822908786	/nfs/dbraw/zinc/90/87/86/822908786.db2.gz	YJCPVXRPZTWDMR-PXNSSMCTSA-N	1	1	379.479	4.177	20	30		GIEDMO
CN(CC[N@@H+](C)C1CC1)C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1	ZINC000186804608	822958361	/nfs/dbraw/zinc/95/83/61/822958361.db2.gz	CQEXABJOPHPDAE-UHFFFAOYSA-N	1	1	383.879	4.170	20	30		GIEDMO
C[C@H]1C[C@H](N(C)C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CC[N@H+]1C	ZINC000175572516	823000178	/nfs/dbraw/zinc/00/01/78/823000178.db2.gz	LTBWKSOBQKFLPT-QFBILLFUSA-N	1	1	378.476	4.297	20	30		GIEDMO
C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccc(F)cc2C#N)CC[N@H+]1Cc1ccccc1	ZINC000177896674	823543314	/nfs/dbraw/zinc/54/33/14/823543314.db2.gz	HCKQGXABTXDDBX-UZLBHIALSA-N	1	1	380.467	4.214	20	30		GIEDMO
C=CC[N@H+](Cc1cccs1)[C@H](C)C(=O)N(C)Cc1nc2ccccc2s1	ZINC000411143023	823551352	/nfs/dbraw/zinc/55/13/52/823551352.db2.gz	YETMJOFIVDAEJW-OAHLLOKOSA-N	1	1	385.558	4.393	20	30		GIEDMO
C=CC[N@@H+](Cc1cccs1)[C@H](C)C(=O)N(C)Cc1nc2ccccc2s1	ZINC000411143023	823551354	/nfs/dbraw/zinc/55/13/54/823551354.db2.gz	YETMJOFIVDAEJW-OAHLLOKOSA-N	1	1	385.558	4.393	20	30		GIEDMO
N#Cc1ccccc1-c1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC(=O)N3C3CC3)C2)cc1	ZINC000411396679	823569990	/nfs/dbraw/zinc/56/99/90/823569990.db2.gz	KCBMMPWQRRIKMV-XUZZJYLKSA-N	1	1	385.511	4.201	20	30		GIEDMO
C[C@H](c1ccncc1)[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2	ZINC000411427745	823573002	/nfs/dbraw/zinc/57/30/02/823573002.db2.gz	UKGAQJKUVJNFGM-LSDHHAIUSA-N	1	1	382.533	4.161	20	30		GIEDMO
C[C@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(Cl)cc1Cl	ZINC000190619427	823592408	/nfs/dbraw/zinc/59/24/08/823592408.db2.gz	IMKAOKSBGUBFTP-ORAYPTAESA-N	1	1	388.298	4.317	20	30		GIEDMO
CN(CC[C@H]1CCCC[N@H+]1C)C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1	ZINC000461270265	823609699	/nfs/dbraw/zinc/60/96/99/823609699.db2.gz	HUBFFFBJUNRRLP-OAQYLSRUSA-N	1	1	391.515	4.491	20	30		GIEDMO
C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1	ZINC000412136654	823629236	/nfs/dbraw/zinc/62/92/36/823629236.db2.gz	VKIWYCRIEFEPGC-BJKOFHAPSA-N	1	1	399.494	4.203	20	30		GIEDMO
C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1	ZINC000412136654	823629238	/nfs/dbraw/zinc/62/92/38/823629238.db2.gz	VKIWYCRIEFEPGC-BJKOFHAPSA-N	1	1	399.494	4.203	20	30		GIEDMO
N#CC[C@H](CC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)c1ccccc1	ZINC000461426999	823634478	/nfs/dbraw/zinc/63/44/78/823634478.db2.gz	KEYDVAADDAKURX-TZRRMPRUSA-N	1	1	387.527	4.054	20	30		GIEDMO
CC[N@@H+](CCC1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CC1)CC(C)C	ZINC000412235429	823638354	/nfs/dbraw/zinc/63/83/54/823638354.db2.gz	SGLJRLZHQGQWRG-XZOQPEGZSA-N	1	1	381.564	4.268	20	30		GIEDMO
COc1cc2c(cc1OC)[C@@H](c1cccs1)[N@H+](Cc1cc(C#N)n(C)c1)CC2	ZINC000191180200	823656860	/nfs/dbraw/zinc/65/68/60/823656860.db2.gz	WKVSYRYQOBUDOJ-QFIPXVFZSA-N	1	1	393.512	4.123	20	30		GIEDMO
COc1cc2c(cc1OC)[C@@H](c1cccs1)[N@@H+](Cc1cc(C#N)n(C)c1)CC2	ZINC000191180200	823656863	/nfs/dbraw/zinc/65/68/63/823656863.db2.gz	WKVSYRYQOBUDOJ-QFIPXVFZSA-N	1	1	393.512	4.123	20	30		GIEDMO
C=CCN(Cc1cccs1)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1	ZINC000063464455	823673209	/nfs/dbraw/zinc/67/32/09/823673209.db2.gz	STDAKNVRLXNGEU-HXUWFJFHSA-N	1	1	383.561	4.358	20	30		GIEDMO
CC(C)[N@@H+](CC(=O)N(C)Cc1c(F)cccc1Cl)Cc1ccc(C#N)cc1	ZINC000063751065	823693548	/nfs/dbraw/zinc/69/35/48/823693548.db2.gz	VCNAARZSIIOTKD-UHFFFAOYSA-N	1	1	387.886	4.220	20	30		GIEDMO
N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CC=C(c3cccc4ccccc43)CC2)cc1	ZINC000063762593	823693913	/nfs/dbraw/zinc/69/39/13/823693913.db2.gz	YGPZYRRGKYXTNX-QFIPXVFZSA-N	1	1	384.479	4.240	20	30		GIEDMO
C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH+]1CCC(c2ccncc2)CC1	ZINC000191625700	823717677	/nfs/dbraw/zinc/71/76/77/823717677.db2.gz	JHPHMKOTBZLAOP-QGZVFWFLSA-N	1	1	394.544	4.294	20	30		GIEDMO
C[C@H](C#N)CSc1ccccc1NC(=O)C[NH+]1CCC(c2ccncc2)CC1	ZINC000191676475	823729972	/nfs/dbraw/zinc/72/99/72/823729972.db2.gz	BRVPTRIUEIDSDK-QGZVFWFLSA-N	1	1	394.544	4.151	20	30		GIEDMO
CC(C)[N@H+](Cc1ccc(NC(=O)N[C@@H]2CCC[C@H]2C#N)cc1)C[C@H]1CCCCO1	ZINC000461928041	823760549	/nfs/dbraw/zinc/76/05/49/823760549.db2.gz	PHLFZVLWCJTUGE-KSEOMHKRSA-N	1	1	398.551	4.280	20	30		GIEDMO
Cc1nc(C(C)(C)[NH2+]CC(=O)N(CCC#N)c2ccc(C)c(C)c2)sc1C	ZINC000163950982	823764851	/nfs/dbraw/zinc/76/48/51/823764851.db2.gz	GCCIVPTXDSQBJT-UHFFFAOYSA-N	1	1	384.549	4.148	20	30		GIEDMO
CC[C@@](C)([NH2+]CC(=O)N(CCC#N)c1ccc(C)c(C)c1)c1nc(C)cs1	ZINC000163949873	823765078	/nfs/dbraw/zinc/76/50/78/823765078.db2.gz	BJFSUTBIYNXHGQ-OAQYLSRUSA-N	1	1	384.549	4.230	20	30		GIEDMO
C[C@H](C(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1)c1cccc(C#N)c1	ZINC000462152820	823846186	/nfs/dbraw/zinc/84/61/86/823846186.db2.gz	CSOWEVKUEPAVOE-SFHVURJKSA-N	1	1	387.483	4.203	20	30		GIEDMO
C[C@H](C(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1)c1cccc(C#N)c1	ZINC000462152820	823846191	/nfs/dbraw/zinc/84/61/91/823846191.db2.gz	CSOWEVKUEPAVOE-SFHVURJKSA-N	1	1	387.483	4.203	20	30		GIEDMO
CSCC[C@@H](C)[N@@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1	ZINC000126396255	823856498	/nfs/dbraw/zinc/85/64/98/823856498.db2.gz	YGQSVMWASHLDFZ-MRXNPFEDSA-N	1	1	398.576	4.037	20	30		GIEDMO
FC(F)(F)c1ccc(C#CC[NH+]2CCC(c3noc(C4CC4)n3)CC2)cc1	ZINC000462235182	823887873	/nfs/dbraw/zinc/88/78/73/823887873.db2.gz	DDEORHARQQCAGC-UHFFFAOYSA-N	1	1	375.394	4.197	20	30		GIEDMO
C=C(C)C[N@@H+](CC)CCC(=O)Nc1ccc(C(=O)Nc2ccccc2OC)cc1	ZINC000126553094	823897245	/nfs/dbraw/zinc/89/72/45/823897245.db2.gz	YWRUEQUQOGNPDL-UHFFFAOYSA-N	1	1	395.503	4.174	20	30		GIEDMO
C/C(=C/c1nc2c(s1)C[N@@H+](C(C)C)CC2)c1nc2ccccc2n1CC#N	ZINC000414084295	823904950	/nfs/dbraw/zinc/90/49/50/823904950.db2.gz	WUSWOHCAPUPNNJ-QINSGFPZSA-N	1	1	377.517	4.343	20	30		GIEDMO
N#Cc1ccc(CN2CCC[N@@H+](CCOc3cccc4ccccc43)CC2)cc1	ZINC000064950989	823917148	/nfs/dbraw/zinc/91/71/48/823917148.db2.gz	LNPNTNYEYPZVIE-UHFFFAOYSA-N	1	1	385.511	4.298	20	30		GIEDMO
N#Cc1ccc(C[N@@H+]2CCCN(CCOc3cccc4ccccc43)CC2)cc1	ZINC000064950989	823917154	/nfs/dbraw/zinc/91/71/54/823917154.db2.gz	LNPNTNYEYPZVIE-UHFFFAOYSA-N	1	1	385.511	4.298	20	30		GIEDMO
N#Cc1ccc(C[N@H+]2CCCN(CCOc3cccc4ccccc43)CC2)cc1	ZINC000064950989	823917163	/nfs/dbraw/zinc/91/71/63/823917163.db2.gz	LNPNTNYEYPZVIE-UHFFFAOYSA-N	1	1	385.511	4.298	20	30		GIEDMO
CC[N@@H+]1CCc2nc(NC(=O)c3ccccc3-c3ccccc3C#N)sc2C1	ZINC000127075727	824011816	/nfs/dbraw/zinc/01/18/16/824011816.db2.gz	OCTNTEITLCCLEX-UHFFFAOYSA-N	1	1	388.496	4.312	20	30		GIEDMO
CC[N@H+]1CCc2nc(NC(=O)c3ccccc3-c3ccccc3C#N)sc2C1	ZINC000127075727	824011823	/nfs/dbraw/zinc/01/18/23/824011823.db2.gz	OCTNTEITLCCLEX-UHFFFAOYSA-N	1	1	388.496	4.312	20	30		GIEDMO
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H](c1ccccc1)[NH+](C)C	ZINC000171020456	824039841	/nfs/dbraw/zinc/03/98/41/824039841.db2.gz	LUWDPQRXPGXWDY-OAQYLSRUSA-N	1	1	386.455	4.295	20	30		GIEDMO
Cc1cccc([C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C(=O)N[C@@H]2CC[C@H](C#N)C2)c1	ZINC000576032121	824054487	/nfs/dbraw/zinc/05/44/87/824054487.db2.gz	NMTODTUFFNUIFG-RBVMOCNTSA-N	1	1	387.527	4.019	20	30		GIEDMO
N#Cc1cc(Cl)c(Cl)nc1N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21	ZINC001164627251	719077897	/nfs/dbraw/zinc/07/78/97/719077897.db2.gz	QAVHIMBXAOZRCJ-QAPCUYQASA-N	1	1	387.314	4.361	20	30		GIEDMO
N#Cc1c(Cl)c2ccccc2nc1N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1	ZINC001164733616	720431220	/nfs/dbraw/zinc/43/12/20/720431220.db2.gz	PZYUXMSMJJEPBP-VQTJNVASSA-N	1	1	389.890	4.008	20	30		GIEDMO
C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nccc3ccc(C#N)cc31)CC2	ZINC001164792603	721493856	/nfs/dbraw/zinc/49/38/56/721493856.db2.gz	RYEQTXDDYFIIEL-UHFFFAOYSA-N	1	1	397.526	4.382	20	30		GIEDMO
C=CCOC[C@@H]1CCC[C@@]12CN(c1ccc([C@H]3CCCC[N@@H+]3CC)cn1)CCO2	ZINC001164980234	722169740	/nfs/dbraw/zinc/16/97/40/722169740.db2.gz	XJANFGUWAHRNDA-WMTXJRDZSA-N	1	1	399.579	4.207	20	30		GIEDMO
Cc1nc(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)c(Cl)cc1C#N	ZINC001164995794	722213020	/nfs/dbraw/zinc/21/30/20/722213020.db2.gz	KQTZTZUAPDIVEV-OAQYLSRUSA-N	1	1	384.886	4.299	20	30		GIEDMO
Cc1nc(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)c(Cl)cc1C#N	ZINC001164995794	722213023	/nfs/dbraw/zinc/21/30/23/722213023.db2.gz	KQTZTZUAPDIVEV-OAQYLSRUSA-N	1	1	384.886	4.299	20	30		GIEDMO
C=C(C)[C@H]([NH2+]Cc1c(C)nn(CC(=O)OC(C)C)c1C)c1ccc(F)c(F)c1	ZINC000187445345	823064990	/nfs/dbraw/zinc/06/49/90/823064990.db2.gz	CCXLHVBPTUXLMN-NRFANRHFSA-N	1	1	391.462	4.137	20	30		GIEDMO
C=C(C)[C@@H]([NH2+]Cc1c(C)nn(CC(=O)OC(C)C)c1C)c1ccc(F)c(F)c1	ZINC000187445326	823065053	/nfs/dbraw/zinc/06/50/53/823065053.db2.gz	CCXLHVBPTUXLMN-OAQYLSRUSA-N	1	1	391.462	4.137	20	30		GIEDMO
C[C@H](c1ccc(NC(=O)N[C@@H](CCC#N)c2ccccc2)cc1)[NH+]1CCOCC1	ZINC000120808725	823068379	/nfs/dbraw/zinc/06/83/79/823068379.db2.gz	DODNBWHTBGWJIX-GCJKJVERSA-N	1	1	392.503	4.246	20	30		GIEDMO
C=CCOc1c(Br)cc(C[N@@H+](C)CCc2ccccn2)cc1OC	ZINC000120811798	823068996	/nfs/dbraw/zinc/06/89/96/823068996.db2.gz	FIMWBUOWQUOWLX-UHFFFAOYSA-N	1	1	391.309	4.092	20	30		GIEDMO
C[C@@H]1C[C@H](N(C)C(=O)c2cccc(SCC#N)c2)CC[N@H+]1Cc1ccccc1	ZINC000175992472	823090499	/nfs/dbraw/zinc/09/04/99/823090499.db2.gz	DPCOIMFYOZNZPJ-WIYYLYMNSA-N	1	1	393.556	4.427	20	30		GIEDMO
CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(F)c(C#N)c1	ZINC000176089333	823117117	/nfs/dbraw/zinc/11/71/17/823117117.db2.gz	FYCBRCSNKJGVQL-SFHVURJKSA-N	1	1	380.467	4.073	20	30		GIEDMO
C=C(C)[C@H]([NH2+][C@@H](C)C(=O)Nc1cccc(NC(C)=O)c1)c1ccc(F)c(F)c1	ZINC000187773164	823129954	/nfs/dbraw/zinc/12/99/54/823129954.db2.gz	KLQZFXYBFCJRAR-RBZFPXEDSA-N	1	1	387.430	4.157	20	30		GIEDMO
N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@H+]1CCCCC[C@@H]1c1ccco1	ZINC000121240947	823145458	/nfs/dbraw/zinc/14/54/58/823145458.db2.gz	RSEDJTSIKMTTDC-FXAWDEMLSA-N	1	1	386.455	4.434	20	30		GIEDMO
N#Cc1ccccc1Cn1cccc1C[NH2+]Cc1nnc(-c2ccccc2)s1	ZINC000188125491	823190376	/nfs/dbraw/zinc/19/03/76/823190376.db2.gz	HICFWOBCOBEAKY-UHFFFAOYSA-N	1	1	385.496	4.216	20	30		GIEDMO
CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1	ZINC000571697359	823220794	/nfs/dbraw/zinc/22/07/94/823220794.db2.gz	XVJXBGOEYBHISC-RHSMWYFYSA-N	1	1	381.442	4.094	20	30		GIEDMO
N#Cc1ccc(C[N@@H+]2CCC[C@H](c3nnc4ccc(C(F)(F)F)cn43)C2)s1	ZINC000121750513	823242917	/nfs/dbraw/zinc/24/29/17/823242917.db2.gz	KXUGYPGUORNUDL-LBPRGKRZSA-N	1	1	391.422	4.061	20	30		GIEDMO
Cc1nn(-c2ccc(Cl)cc2)cc1C[NH+]1CCC(C#N)(c2ccccn2)CC1	ZINC000571941751	823257826	/nfs/dbraw/zinc/25/78/26/823257826.db2.gz	XMCSUKAEUNELTL-UHFFFAOYSA-N	1	1	391.906	4.287	20	30		GIEDMO
N#CCCCOc1cccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1	ZINC000057177605	823259876	/nfs/dbraw/zinc/25/98/76/823259876.db2.gz	DNSUOBJAPTWJAX-HXUWFJFHSA-N	1	1	377.488	4.220	20	30		GIEDMO
CN(C)C(=O)Sc1cccc(C[N@H+]2CCCN(c3ccccc3C#N)CC2)c1	ZINC000176875952	823315466	/nfs/dbraw/zinc/31/54/66/823315466.db2.gz	MXQJRUNAAAWDQL-UHFFFAOYSA-N	1	1	394.544	4.044	20	30		GIEDMO
COc1cccc(C[N@H+](C)CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)c1	ZINC000012808865	818183353	/nfs/dbraw/zinc/18/33/53/818183353.db2.gz	VJXHXEQMVOJQBT-UHFFFAOYSA-N	1	1	394.519	4.171	20	30		GIEDMO
COc1cccc(C[N@@H+](C)CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)c1	ZINC000012808865	818183357	/nfs/dbraw/zinc/18/33/57/818183357.db2.gz	VJXHXEQMVOJQBT-UHFFFAOYSA-N	1	1	394.519	4.171	20	30		GIEDMO
Cc1cc(C#N)ccc1Oc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1	ZINC000122216282	823322515	/nfs/dbraw/zinc/32/25/15/823322515.db2.gz	ILQXFBBYGYAEEJ-YLJYHZDGSA-N	1	1	377.488	4.214	20	30		GIEDMO
C=C(C)C[N@@H+](CC)CC(=O)Nc1scc(-c2ccco2)c1C(=O)OCC	ZINC000015292279	818307193	/nfs/dbraw/zinc/30/71/93/818307193.db2.gz	MIUAVAOPYQUMQW-UHFFFAOYSA-N	1	1	376.478	4.021	20	30		GIEDMO
C=C(C)C[N@H+](CC)CC(=O)Nc1scc(-c2ccco2)c1C(=O)OCC	ZINC000015292279	818307201	/nfs/dbraw/zinc/30/72/01/818307201.db2.gz	MIUAVAOPYQUMQW-UHFFFAOYSA-N	1	1	376.478	4.021	20	30		GIEDMO
N#CCCn1cc(C[N@H+]2CCCN3c4ccccc4C[C@H]3C2)c(-c2ccccc2)n1	ZINC000572536568	823356761	/nfs/dbraw/zinc/35/67/61/823356761.db2.gz	QDEBQJVCZUQFCQ-QHCPKHFHSA-N	1	1	397.526	4.101	20	30		GIEDMO
CC(C)c1ccc([C@H]([NH2+]CC(=O)N[C@](C)(C#N)C2CC2)c2cccs2)cc1	ZINC000058069537	823359002	/nfs/dbraw/zinc/35/90/02/823359002.db2.gz	SDLZMOHGJPOEEX-FCHUYYIVSA-N	1	1	381.545	4.359	20	30		GIEDMO
Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2C[C@@H](C)C[C@H]2c2cccnc2)c1	ZINC000460356173	823362567	/nfs/dbraw/zinc/36/25/67/823362567.db2.gz	AGHDKVNHXWSANO-UGKGYDQZSA-N	1	1	376.504	4.028	20	30		GIEDMO
Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2C[C@@H](C)C[C@H]2c2cccnc2)c1	ZINC000460356173	823362575	/nfs/dbraw/zinc/36/25/75/823362575.db2.gz	AGHDKVNHXWSANO-UGKGYDQZSA-N	1	1	376.504	4.028	20	30		GIEDMO
C[C@H]1C[C@@H](NC(=O)c2ccccc2SCc2ccc(C#N)cc2)C[N@H+]1C1CC1	ZINC000177159979	823386667	/nfs/dbraw/zinc/38/66/67/823386667.db2.gz	VKLLNFPLQVRATQ-QFBILLFUSA-N	1	1	391.540	4.206	20	30		GIEDMO
N#Cc1ccc(CN2CCC[N@@H+](Cc3cccc(-c4ccncc4)c3)CC2)cc1	ZINC000122823781	823418730	/nfs/dbraw/zinc/41/87/30/823418730.db2.gz	HSOFQBCOFWLTRU-UHFFFAOYSA-N	1	1	382.511	4.328	20	30		GIEDMO
C=C(C)Cn1c(C2CC2)nnc1N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1	ZINC000460556223	823431282	/nfs/dbraw/zinc/43/12/82/823431282.db2.gz	SFSADHYZPWYXFA-GHTZIAJQSA-N	1	1	379.552	4.221	20	30		GIEDMO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)CSc3ccc(Cl)cc3)CC2)cc1	ZINC000027241105	820214864	/nfs/dbraw/zinc/21/48/64/820214864.db2.gz	VEWRFKBUEOUYHY-UHFFFAOYSA-N	1	1	399.947	4.038	20	30		GIEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)CSc3ccc(Cl)cc3)CC2)cc1	ZINC000027241105	820214873	/nfs/dbraw/zinc/21/48/73/820214873.db2.gz	VEWRFKBUEOUYHY-UHFFFAOYSA-N	1	1	399.947	4.038	20	30		GIEDMO
C[N@@H+](CCCNC(=O)c1ccccc1-c1ccccc1C#N)Cc1ccccc1	ZINC000028065942	820308781	/nfs/dbraw/zinc/30/87/81/820308781.db2.gz	NYDZVUCORGVUBI-UHFFFAOYSA-N	1	1	383.495	4.477	20	30		GIEDMO
Cc1cccc2nc(C3CC[NH+]([C@H](C)C(=O)Nc4cccc(C#N)c4)CC3)oc21	ZINC000189808264	823498616	/nfs/dbraw/zinc/49/86/16/823498616.db2.gz	HZBXLGKQRJTPAF-MRXNPFEDSA-N	1	1	388.471	4.215	20	30		GIEDMO
C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cccc(OCc2ccccc2C#N)c1	ZINC000060021767	823505199	/nfs/dbraw/zinc/50/51/99/823505199.db2.gz	GUWLWLWDLZGLOW-LJQANCHMSA-N	1	1	391.515	4.132	20	30		GIEDMO
Cc1cccc(C[N@@H+](CCC(=O)Nc2sccc2C#N)Cc2ccccn2)c1	ZINC000177645142	823506607	/nfs/dbraw/zinc/50/66/07/823506607.db2.gz	WQPHZZSYBRYQJK-UHFFFAOYSA-N	1	1	390.512	4.354	20	30		GIEDMO
C[C@@H]1C[C@H](N(C)C(=O)c2ccc(C3(C#N)CC3)cc2)CC[N@H+]1Cc1ccccc1	ZINC000180964427	821559617	/nfs/dbraw/zinc/55/96/17/821559617.db2.gz	KVJLXFTZYUTDBR-AUSIDOKSSA-N	1	1	387.527	4.367	20	30		GIEDMO
Cc1c(C)n(C2CCCCC2)c(NC(=O)C[NH2+][C@@H](C)c2ccccn2)c1C#N	ZINC000181795970	821995732	/nfs/dbraw/zinc/99/57/32/821995732.db2.gz	RBGZLZJOKFVDHQ-INIZCTEOSA-N	1	1	379.508	4.166	20	30		GIEDMO
COC(=O)c1ccc(-c2nc(C[N@H+](Cc3ccc(C#N)cc3)C(C)C)co2)cc1	ZINC000182095009	822092172	/nfs/dbraw/zinc/09/21/72/822092172.db2.gz	ZIAASDVFLVWVRT-UHFFFAOYSA-N	1	1	389.455	4.410	20	30		GIEDMO
COC(=O)c1ccc(-c2nc(C[N@@H+](Cc3ccc(C#N)cc3)C(C)C)co2)cc1	ZINC000182095009	822092176	/nfs/dbraw/zinc/09/21/76/822092176.db2.gz	ZIAASDVFLVWVRT-UHFFFAOYSA-N	1	1	389.455	4.410	20	30		GIEDMO
CC[C@H]([NH2+]CC(=O)Nc1ccccc1SC[C@H](C)C#N)c1c(C)noc1C	ZINC000182447647	822245771	/nfs/dbraw/zinc/24/57/71/822245771.db2.gz	VESBBSRZFXUWIL-CJNGLKHVSA-N	1	1	386.521	4.223	20	30		GIEDMO
C[C@H]1CCCC[N@H+]1CCCCNC(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000045432914	822387389	/nfs/dbraw/zinc/38/73/89/822387389.db2.gz	JROZZKGXVZLEOX-KRWDZBQOSA-N	1	1	395.469	4.011	20	30		GIEDMO
Cc1ccc(N[C@@H](C)c2cccc(C#N)c2)cc1NC(=O)C[NH+]1CCCCC1	ZINC000182965178	822400902	/nfs/dbraw/zinc/40/09/02/822400902.db2.gz	DAWXLBFABLPYJX-SFHVURJKSA-N	1	1	376.504	4.464	20	30		GIEDMO
C[NH+](C)[C@@H](CNC(=O)N[C@@H](CCC#N)c1ccccc1)c1ccccc1Cl	ZINC000178710123	822404662	/nfs/dbraw/zinc/40/46/62/822404662.db2.gz	NIIRLSYKXMHFPL-PMACEKPBSA-N	1	1	384.911	4.287	20	30		GIEDMO
C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@H+](C)Cc1ccc(C#N)cc1	ZINC000046526627	822481222	/nfs/dbraw/zinc/48/12/22/822481222.db2.gz	IPUJNOILLNNXMN-LJQANCHMSA-N	1	1	383.495	4.284	20	30		GIEDMO
C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@@H+](C)Cc1ccc(C#N)cc1	ZINC000046526627	822481226	/nfs/dbraw/zinc/48/12/26/822481226.db2.gz	IPUJNOILLNNXMN-LJQANCHMSA-N	1	1	383.495	4.284	20	30		GIEDMO
N#CCC[C@@H](C#N)CN1CC[NH+](Cc2ccc(-c3ccccc3F)s2)CC1	ZINC000046578437	822487895	/nfs/dbraw/zinc/48/78/95/822487895.db2.gz	BHSBNNBDANQDIH-KRWDZBQOSA-N	1	1	382.508	4.115	20	30		GIEDMO
C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@H](c1nc(C)cs1)C1CC1	ZINC000183512795	822488182	/nfs/dbraw/zinc/48/81/82/822488182.db2.gz	GDAZGSHJLLHOCN-YOEHRIQHSA-N	1	1	375.563	4.157	20	30		GIEDMO
C[C@@H](c1ccc(Cl)cc1Cl)[N@@H+](C)C[C@H](O)COc1ccc(C#N)cc1	ZINC000046583622	822488559	/nfs/dbraw/zinc/48/85/59/822488559.db2.gz	VTXUAXVTQGPCQY-BBRMVZONSA-N	1	1	379.287	4.298	20	30		GIEDMO
C[C@@H](C#N)Oc1ccccc1NC(=O)Nc1ccccc1C[NH+]1CCSCC1	ZINC000183884271	822540408	/nfs/dbraw/zinc/54/04/08/822540408.db2.gz	USJNLMFMXQQZJX-INIZCTEOSA-N	1	1	396.516	4.170	20	30		GIEDMO
N#Cc1ccc(Cl)cc1NC(=O)C[NH2+]C1(c2ccc(F)cc2F)CCC1	ZINC000179987681	822591433	/nfs/dbraw/zinc/59/14/33/822591433.db2.gz	XKCZXFOZEQNZIU-UHFFFAOYSA-N	1	1	375.806	4.097	20	30		GIEDMO
N#Cc1ccc(C[N@@H+](Cc2cnc3ccc(Br)cn23)C2CC2)cc1	ZINC000180028698	822600445	/nfs/dbraw/zinc/60/04/45/822600445.db2.gz	PYCJGWVLCDLBOB-UHFFFAOYSA-N	1	1	381.277	4.133	20	30		GIEDMO
N#Cc1ccc(C[N@H+](Cc2cnc3ccc(Br)cn23)C2CC2)cc1	ZINC000180028698	822600449	/nfs/dbraw/zinc/60/04/49/822600449.db2.gz	PYCJGWVLCDLBOB-UHFFFAOYSA-N	1	1	381.277	4.133	20	30		GIEDMO
Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)Nc2ccccc2O[C@@H](C)C#N)cc1	ZINC000184347869	822619787	/nfs/dbraw/zinc/61/97/87/822619787.db2.gz	SLUDZTFIHZNDGM-JKSUJKDBSA-N	1	1	389.459	4.354	20	30		GIEDMO
C=CCOc1ccc(C[NH2+]Cc2nn(-c3ccccc3)c3c2CCC3)cc1OC	ZINC000048776440	822682181	/nfs/dbraw/zinc/68/21/81/822682181.db2.gz	UPPANSVIFAKHIN-UHFFFAOYSA-N	1	1	389.499	4.224	20	30		GIEDMO
C[C@H](NC(=O)Nc1ccc(CC#N)cc1Cl)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000455696905	822705047	/nfs/dbraw/zinc/70/50/47/822705047.db2.gz	DCEUBNHNSFPMEM-QFBILLFUSA-N	1	1	396.922	4.438	20	30		GIEDMO
N#CC1(c2ccc(C(=O)NC3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)cc2)CC1	ZINC000180577816	822705500	/nfs/dbraw/zinc/70/55/00/822705500.db2.gz	ZSKPMXDDGSYWET-NOTZXAQLSA-N	1	1	385.511	4.167	20	30		GIEDMO
COc1ccc(C[N@H+]2CCC[C@H]2C[C@H](O)c2ccco2)cc1OCCCC#N	ZINC000180604219	822710021	/nfs/dbraw/zinc/71/00/21/822710021.db2.gz	HGTXLOUJXXTXSM-OALUTQOASA-N	1	1	384.476	4.059	20	30		GIEDMO
C[NH+](C)[C@@H](CNC(=O)Nc1ccc(CC#N)cc1Cl)c1ccccc1Cl	ZINC000455749749	822719437	/nfs/dbraw/zinc/71/94/37/822719437.db2.gz	KMOCOJYTWOHRRK-SFHVURJKSA-N	1	1	391.302	4.484	20	30		GIEDMO
C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)Nc2cccc(CC#N)c2)C1	ZINC000455925274	822750536	/nfs/dbraw/zinc/75/05/36/822750536.db2.gz	XGCIFPIYIOWXBU-SFHVURJKSA-N	1	1	376.504	4.306	20	30		GIEDMO
C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH2+][C@@H](c1ncc(C)s1)C1CC1	ZINC000185309490	822763503	/nfs/dbraw/zinc/76/35/03/822763503.db2.gz	JUZRYHVLZABSMS-RHSMWYFYSA-N	1	1	375.563	4.157	20	30		GIEDMO
COc1ccc(C[NH2+]Cc2ccccc2CN(C)Cc2ccco2)cc1C#N	ZINC000174450334	822791318	/nfs/dbraw/zinc/79/13/18/822791318.db2.gz	JBDFJRXCFFFPNW-UHFFFAOYSA-N	1	1	375.472	4.082	20	30		GIEDMO
CC(C)OC(=O)C[C@H]1CCC[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1	ZINC000185581339	822798904	/nfs/dbraw/zinc/79/89/04/822798904.db2.gz	GPXVGECYTXUXKY-LJQANCHMSA-N	1	1	394.519	4.017	20	30		GIEDMO
CC(C)OC(=O)C[C@@H]1CCC[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1	ZINC000185581317	822798912	/nfs/dbraw/zinc/79/89/12/822798912.db2.gz	GPXVGECYTXUXKY-IBGZPJMESA-N	1	1	394.519	4.017	20	30		GIEDMO
COc1ccc([C@H]2CCCCCN2C(=O)C[N@H+](C)Cc2ccc(C#N)cc2)cc1	ZINC000052580743	822804354	/nfs/dbraw/zinc/80/43/54/822804354.db2.gz	JOKGBIVOBKVXTO-HSZRJFAPSA-N	1	1	391.515	4.143	20	30		GIEDMO
COc1ccc([C@H]2CCCCCN2C(=O)C[N@@H+](C)Cc2ccc(C#N)cc2)cc1	ZINC000052580743	822804356	/nfs/dbraw/zinc/80/43/56/822804356.db2.gz	JOKGBIVOBKVXTO-HSZRJFAPSA-N	1	1	391.515	4.143	20	30		GIEDMO
C[C@@H](c1cccc(C(F)(F)F)c1)[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)C1CC1	ZINC000053616589	822842881	/nfs/dbraw/zinc/84/28/81/822842881.db2.gz	AEFDNYGNTXJLIW-DJJJIMSYSA-N	1	1	379.426	4.039	20	30		GIEDMO
C[C@@H](c1cccc(C(F)(F)F)c1)[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)C1CC1	ZINC000053616589	822842883	/nfs/dbraw/zinc/84/28/83/822842883.db2.gz	AEFDNYGNTXJLIW-DJJJIMSYSA-N	1	1	379.426	4.039	20	30		GIEDMO
N#Cc1ccccc1N1CCC[N@@H+](Cc2ncc(-c3cccc(F)c3)o2)CC1	ZINC000175088337	822880087	/nfs/dbraw/zinc/88/00/87/822880087.db2.gz	FDPJIEJTMDHHET-UHFFFAOYSA-N	1	1	376.435	4.065	20	30		GIEDMO
N#Cc1ccccc1N1CCC[N@H+](Cc2ncc(-c3cccc(F)c3)o2)CC1	ZINC000175088337	822880091	/nfs/dbraw/zinc/88/00/91/822880091.db2.gz	FDPJIEJTMDHHET-UHFFFAOYSA-N	1	1	376.435	4.065	20	30		GIEDMO
Cc1ccccc1-n1cc(C[NH2+]Cc2ccc(-c3ccccc3C#N)cc2)nn1	ZINC000569148229	822883935	/nfs/dbraw/zinc/88/39/35/822883935.db2.gz	LCNYCITUFJSTHS-UHFFFAOYSA-N	1	1	379.467	4.404	20	30		GIEDMO
C=C(C)[C@H]([NH2+][C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1)c1ccc(F)c(F)c1	ZINC000186446790	822897047	/nfs/dbraw/zinc/89/70/47/822897047.db2.gz	BWUHNXJLQKWNRD-BUXKBTBVSA-N	1	1	383.435	4.475	20	30		GIEDMO
CC(C)(C#N)C(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(Cl)c1	ZINC000055606299	822987047	/nfs/dbraw/zinc/98/70/47/822987047.db2.gz	AQPYUEXPWBICFK-UHFFFAOYSA-N	1	1	396.922	4.150	20	30		GIEDMO
C[N@@H+](CCC(=O)Nc1sccc1C#N)[C@@H]1C[C@H](Oc2ccccc2)C1(C)C	ZINC000569953144	822989518	/nfs/dbraw/zinc/98/95/18/822989518.db2.gz	CWYBUVYJWPMANU-MSOLQXFVSA-N	1	1	383.517	4.126	20	30		GIEDMO
Cc1[nH+]ccn1CCCCNC(=O)Nc1ccc(Oc2ccccc2C#N)cc1	ZINC000175572425	823000109	/nfs/dbraw/zinc/00/01/09/823000109.db2.gz	DNZIXJUPGUMJBM-UHFFFAOYSA-N	1	1	389.459	4.457	20	30		GIEDMO
C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CC[N@H+]1C	ZINC000175711012	823025079	/nfs/dbraw/zinc/02/50/79/823025079.db2.gz	FUZYVNKJIQRGSG-APWZRJJASA-N	1	1	378.476	4.297	20	30		GIEDMO
N#Cc1ccc(C(=O)N2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)cc1	ZINC000123817167	823542861	/nfs/dbraw/zinc/54/28/61/823542861.db2.gz	CYBPPCYIVOZIAR-UHFFFAOYSA-N	1	1	379.463	4.086	20	30		GIEDMO
C=C(C)Cn1c(-c2c[nH]c3ccccc32)nnc1N(C)[C@@H]1CC[N@H+](CC)[C@H](C)C1	ZINC000460948460	823548737	/nfs/dbraw/zinc/54/87/37/823548737.db2.gz	WKRGESSPKAGLEE-QZTJIDSGSA-N	1	1	392.551	4.312	20	30		GIEDMO
CCC[N@@H+](CC(=O)Nc1ccc(F)c(F)c1F)[C@@H](C)c1cccc(C#N)c1	ZINC000411160716	823553028	/nfs/dbraw/zinc/55/30/28/823553028.db2.gz	UVXRNXCKUHXKGE-ZDUSSCGKSA-N	1	1	375.394	4.387	20	30		GIEDMO
CCC[N@@H+](Cc1ccc(C#N)cc1)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2	ZINC000411164559	823553419	/nfs/dbraw/zinc/55/34/19/823553419.db2.gz	HWVVCBYPSIUIGK-OAHLLOKOSA-N	1	1	392.528	4.219	20	30		GIEDMO
C[C@H](CCC#N)[N@@H+](C)Cc1cccc(Br)c1OC[C@H]1CCCO1	ZINC000411607290	823590486	/nfs/dbraw/zinc/59/04/86/823590486.db2.gz	CRVSQJICNVMOAU-GDBMZVCRSA-N	1	1	381.314	4.131	20	30		GIEDMO
CCOc1ccc(Cl)cc1[C@@H](C)[NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000190608000	823590932	/nfs/dbraw/zinc/59/09/32/823590932.db2.gz	IHSKQERKZJUWFC-FOIQADDNSA-N	1	1	397.906	4.062	20	30		GIEDMO
N#Cc1cnc2ccccc2c1N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1	ZINC000461459668	823642110	/nfs/dbraw/zinc/64/21/10/823642110.db2.gz	DMNAOMQSNLXCHO-UHFFFAOYSA-N	1	1	376.891	4.472	20	30		GIEDMO
CCCOc1ccc(NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1	ZINC000125054811	823648612	/nfs/dbraw/zinc/64/86/12/823648612.db2.gz	JNXIRSKIKWBWKC-UHFFFAOYSA-N	1	1	392.503	4.087	20	30		GIEDMO
N#Cc1ccc([C@H](O)C[N@@H+](Cc2csc(Br)c2)C2CC2)cc1	ZINC000125204794	823658982	/nfs/dbraw/zinc/65/89/82/823658982.db2.gz	MQRJEPMOVYAKIB-MRXNPFEDSA-N	1	1	377.307	4.080	20	30		GIEDMO
C=CC[N@H+](Cc1cccc(C#N)c1)Cc1cccc(C(=O)NCc2ccco2)c1	ZINC000063299755	823660831	/nfs/dbraw/zinc/66/08/31/823660831.db2.gz	CLGBPTNCYMVMQK-UHFFFAOYSA-N	1	1	385.467	4.269	20	30		GIEDMO
C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1cccc(C(=O)NCc2ccco2)c1	ZINC000063299755	823660836	/nfs/dbraw/zinc/66/08/36/823660836.db2.gz	CLGBPTNCYMVMQK-UHFFFAOYSA-N	1	1	385.467	4.269	20	30		GIEDMO
N#Cc1c(NC(=O)CC[N@H+]2CCC[C@H]2Cc2ccccc2)sc2c1CCC2	ZINC000063484716	823675574	/nfs/dbraw/zinc/67/55/74/823675574.db2.gz	VXSJYNBSVMGPOC-KRWDZBQOSA-N	1	1	379.529	4.144	20	30		GIEDMO
CC(C)[C@H](NC(=O)C[N@@H+](Cc1ccc(C#N)cc1)C(C)C)c1ccc(F)cc1	ZINC000063750829	823693578	/nfs/dbraw/zinc/69/35/78/823693578.db2.gz	RZWDWGJYLLWIAU-QHCPKHFHSA-N	1	1	381.495	4.421	20	30		GIEDMO
C[N@H+](Cc1ccccc1)CC1CCN(C(=O)c2ccc(C#N)c(Cl)c2)CC1	ZINC000125779750	823708682	/nfs/dbraw/zinc/70/86/82/823708682.db2.gz	GHDHMQIZDQOUKQ-UHFFFAOYSA-N	1	1	381.907	4.196	20	30		GIEDMO
N#CC[C@@H]1CC[C@H](NC(=O)NC[C@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)C1	ZINC000574492692	823746950	/nfs/dbraw/zinc/74/69/50/823746950.db2.gz	ONOXKIKNQTWIJP-FFZOFVMBSA-N	1	1	388.943	4.076	20	30		GIEDMO
CC[C@@](C)([NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1)c1nc(C)cs1	ZINC000163950883	823764929	/nfs/dbraw/zinc/76/49/29/823764929.db2.gz	FAFHMZWPWTYCQB-LJQANCHMSA-N	1	1	390.940	4.267	20	30		GIEDMO
N#Cc1cccc(OC2CC[NH+](Cc3cc(C#N)ccc3Br)CC2)c1	ZINC000191783507	823766720	/nfs/dbraw/zinc/76/67/20/823766720.db2.gz	FAJXUXXGXMHLKU-UHFFFAOYSA-N	1	1	396.288	4.236	20	30		GIEDMO
C[C@H](C(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1)c1cccc(C#N)c1	ZINC000462025864	823800371	/nfs/dbraw/zinc/80/03/71/823800371.db2.gz	GRQPIDIKGZRVFK-IBGZPJMESA-N	1	1	375.516	4.032	20	30		GIEDMO
Cc1ccc(C)c(OC2CC[NH+](CC(=O)N(CCC#N)c3ccccc3)CC2)c1	ZINC000064632216	823855339	/nfs/dbraw/zinc/85/53/39/823855339.db2.gz	YTMJNQCGCICZCM-UHFFFAOYSA-N	1	1	391.515	4.094	20	30		GIEDMO
CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H](C)c1cccc(C#N)c1	ZINC000462192410	823863393	/nfs/dbraw/zinc/86/33/93/823863393.db2.gz	BUBLMYHAYNTQLW-UGKGYDQZSA-N	1	1	375.516	4.032	20	30		GIEDMO
C[C@H](C(=O)Nc1ccc(OCC[N@H+]2CC[C@H](C)C2)cc1)c1cccc(C#N)c1	ZINC000462200912	823867334	/nfs/dbraw/zinc/86/73/34/823867334.db2.gz	ICZDKSMWRPIHMT-ROUUACIJSA-N	1	1	377.488	4.021	20	30		GIEDMO
C[C@@H](C(=O)N[C@@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C)c1cccc(C#N)c1	ZINC000462210884	823873728	/nfs/dbraw/zinc/87/37/28/823873728.db2.gz	GZILZWKDHOGPCM-JPYJTQIMSA-N	1	1	389.543	4.251	20	30		GIEDMO
C[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1cc2c(cc1Br)OCCO2	ZINC000192152559	823882057	/nfs/dbraw/zinc/88/20/57/823882057.db2.gz	OUMULGITDUVHBB-NSHDSACASA-N	1	1	391.240	4.082	20	30		GIEDMO
C[C@H](C(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1)c1cccc(C#N)c1	ZINC000462279402	823910507	/nfs/dbraw/zinc/91/05/07/823910507.db2.gz	YMXVZXXNIBFFLF-HLLQZAQXSA-N	1	1	399.897	4.263	20	30		GIEDMO
C=CCc1cc(C[NH2+]Cc2cc(O)ccc2Br)cc(OC)c1OC	ZINC000127078019	824012834	/nfs/dbraw/zinc/01/28/34/824012834.db2.gz	AFGRQVXKSZJWKX-UHFFFAOYSA-N	1	1	392.293	4.190	20	30		GIEDMO
N#CCc1ccc(CN2CC[N@@H+](Cc3ccc(CC#N)cc3)[C@@H]3CCCC[C@H]32)cc1	ZINC000575896021	824022654	/nfs/dbraw/zinc/02/26/54/824022654.db2.gz	UAMIHNBLUXXREP-CLJLJLNGSA-N	1	1	398.554	4.448	20	30		GIEDMO
Cc1ccc(N2CCC(C(=O)Nc3ccccc3SC[C@H](C)C#N)CC2)[nH+]c1	ZINC000170974196	824024978	/nfs/dbraw/zinc/02/49/78/824024978.db2.gz	XEXXCQUVYJSEID-QGZVFWFLSA-N	1	1	394.544	4.497	20	30		GIEDMO
Cc1cccc(OCC[N@@H+](C)CC(=O)Nc2ccccc2SC[C@H](C)C#N)c1	ZINC000170983624	824027841	/nfs/dbraw/zinc/02/78/41/824027841.db2.gz	MTMYCFFJBXCAQK-GOSISDBHSA-N	1	1	397.544	4.196	20	30		GIEDMO
Cc1cccc(OCC[N@H+](C)CC(=O)Nc2ccccc2SC[C@H](C)C#N)c1	ZINC000170983624	824027847	/nfs/dbraw/zinc/02/78/47/824027847.db2.gz	MTMYCFFJBXCAQK-GOSISDBHSA-N	1	1	397.544	4.196	20	30		GIEDMO
CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Nc1ccc(C#N)c(F)c1	ZINC000575958954	824037650	/nfs/dbraw/zinc/03/76/50/824037650.db2.gz	CQHFEHJEKOJAGP-FQEVSTJZSA-N	1	1	380.467	4.120	20	30		GIEDMO
C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(F)(F)c1cnc(Cl)c(-c2cccc(C#N)c2)c1	ZINC001164633342	719257689	/nfs/dbraw/zinc/25/76/89/719257689.db2.gz	LBKSRVDYCPRDIJ-UONOGXRCSA-N	1	1	390.865	4.347	20	30		GIEDMO
C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(F)(F)c1cnc(Cl)c(-c2cccc(C#N)c2)c1	ZINC001164633342	719257693	/nfs/dbraw/zinc/25/76/93/719257693.db2.gz	LBKSRVDYCPRDIJ-UONOGXRCSA-N	1	1	390.865	4.347	20	30		GIEDMO
CC(C)c1ccc(C#N)c(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)n1	ZINC001165021523	721802794	/nfs/dbraw/zinc/80/27/94/721802794.db2.gz	HKXRZSWNFPCYHF-RRPUWOKSSA-N	1	1	389.547	4.209	20	30		GIEDMO
C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(C#N)c4ccccc4n3)C[C@H]21	ZINC001165020779	721823649	/nfs/dbraw/zinc/82/36/49/721823649.db2.gz	DTJGDKCUJZAGMV-KUWBRRTOSA-N	1	1	397.526	4.238	20	30		GIEDMO
C=CCOC[C@@H]1CCC[C@]12CN(c1ccc([C@@H]3CCCC[N@@H+]3CC)cn1)CCO2	ZINC001164980229	722169655	/nfs/dbraw/zinc/16/96/55/722169655.db2.gz	XJANFGUWAHRNDA-FIXSFTCYSA-N	1	1	399.579	4.207	20	30		GIEDMO
CC(C)[N@@H+]1CC[C@@H](NC(=O)N(C)CC(C)(C)C#N)[C@@H]1c1ccc(Cl)c(F)c1	ZINC000458647315	823069397	/nfs/dbraw/zinc/06/93/97/823069397.db2.gz	YQMDOBXEAFFSIF-MSOLQXFVSA-N	1	1	394.922	4.194	20	30		GIEDMO
CC(C)[N@H+]1CC[C@@H](NC(=O)N(C)CC(C)(C)C#N)[C@@H]1c1ccc(Cl)c(F)c1	ZINC000458647315	823069404	/nfs/dbraw/zinc/06/94/04/823069404.db2.gz	YQMDOBXEAFFSIF-MSOLQXFVSA-N	1	1	394.922	4.194	20	30		GIEDMO
CCc1[nH+]ccn1[C@H]1CCCN(C(=O)N[C@H](CCCC#N)c2ccccc2)C1	ZINC000458797851	823087190	/nfs/dbraw/zinc/08/71/90/823087190.db2.gz	HBRQTFWHZNLVKY-VQTJNVASSA-N	1	1	379.508	4.227	20	30		GIEDMO
N#CCCC[C@H](NC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccccc1	ZINC000458805089	823088943	/nfs/dbraw/zinc/08/89/43/823088943.db2.gz	TWWDCIQASKKLCY-HJNYFJLDSA-N	1	1	380.536	4.080	20	30		GIEDMO
CCOc1cc2c(cc1OCC)C[N@H+](Cc1ccc(O[C@@H](C)C#N)cc1)CC2	ZINC000120975045	823095894	/nfs/dbraw/zinc/09/58/94/823095894.db2.gz	FPHCDAADFDLENQ-KRWDZBQOSA-N	1	1	380.488	4.333	20	30		GIEDMO
CCOc1cc2c(cc1OCC)C[N@@H+](Cc1ccc(O[C@@H](C)C#N)cc1)CC2	ZINC000120975045	823095899	/nfs/dbraw/zinc/09/58/99/823095899.db2.gz	FPHCDAADFDLENQ-KRWDZBQOSA-N	1	1	380.488	4.333	20	30		GIEDMO
N#CCSc1cccc(C(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)c1	ZINC000176037975	823102929	/nfs/dbraw/zinc/10/29/29/823102929.db2.gz	CQHDUIZAKCFTTI-UHFFFAOYSA-N	1	1	393.556	4.083	20	30		GIEDMO
C=C(C)[C@H]([NH2+]CC(=O)Nc1ccc(N2CCCC2)cc1)c1ccc(F)c(F)c1	ZINC000187754159	823126291	/nfs/dbraw/zinc/12/62/91/823126291.db2.gz	YTMKJARNJMSNMC-QFIPXVFZSA-N	1	1	385.458	4.411	20	30		GIEDMO
C=C(C)[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(OC)c(OC)c1)c1ccc(F)c(F)c1	ZINC000187759418	823127162	/nfs/dbraw/zinc/12/71/62/823127162.db2.gz	ZSFZSAXCYZDSSN-RNODOKPDSA-N	1	1	390.430	4.216	20	30		GIEDMO
C=C(C)[C@@H]([NH2+][C@H](C)C(=O)Nc1ccc(OC)c(OC)c1)c1ccc(F)c(F)c1	ZINC000187759435	823127222	/nfs/dbraw/zinc/12/72/22/823127222.db2.gz	ZSFZSAXCYZDSSN-ZUOKHONESA-N	1	1	390.430	4.216	20	30		GIEDMO
C=C(C)[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)c1ccc(F)c(F)c1	ZINC000187760458	823127416	/nfs/dbraw/zinc/12/74/16/823127416.db2.gz	GTEGYZKZFQSZCC-IBGZPJMESA-N	1	1	375.806	4.335	20	30		GIEDMO
C=C(C)COc1cc(C[N@H+]2CC[C@@H](OCc3c(C)noc3C)C2)ccc1OC	ZINC000571090272	823130857	/nfs/dbraw/zinc/13/08/57/823130857.db2.gz	BIRFGLRQMNPJBN-LJQANCHMSA-N	1	1	386.492	4.046	20	30		GIEDMO
Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)CSCc2ccc(C#N)cc2)cc1	ZINC000176185834	823147926	/nfs/dbraw/zinc/14/79/26/823147926.db2.gz	HSLQNEPUGUTHNV-MRXNPFEDSA-N	1	1	390.512	4.163	20	30		GIEDMO
C#CCOc1ccccc1NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1	ZINC000188130194	823191251	/nfs/dbraw/zinc/19/12/51/823191251.db2.gz	KBPOQTYRANPJEX-SEJPIABJSA-N	1	1	389.499	4.016	20	30		GIEDMO
C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1Cc1cn(CCC#N)nc1-c1ccncc1	ZINC000571601742	823206060	/nfs/dbraw/zinc/20/60/60/823206060.db2.gz	ZCRKELVGYLPVGZ-FXAWDEMLSA-N	1	1	389.478	4.376	20	30		GIEDMO
CC(C)[N@H+](Cc1ccc(C#N)cc1C(F)(F)F)C[C@H](O)COc1ccccc1	ZINC000571614592	823209379	/nfs/dbraw/zinc/20/93/79/823209379.db2.gz	UOIOHGPMVNFWDW-SFHVURJKSA-N	1	1	392.421	4.227	20	30		GIEDMO
N#Cc1ccc(-c2nnc(C[N@@H+]3CCCCC[C@H]3C[C@@H](O)c3ccco3)o2)cc1	ZINC000121798631	823253661	/nfs/dbraw/zinc/25/36/61/823253661.db2.gz	KNHKLEMWQDRGPM-RBUKOAKNSA-N	1	1	392.459	4.070	20	30		GIEDMO
C=CCOc1ccccc1CNC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1	ZINC000176632542	823253754	/nfs/dbraw/zinc/25/37/54/823253754.db2.gz	CZJSSICOQJGOMT-GHTZIAJQSA-N	1	1	399.560	4.195	20	30		GIEDMO
CC(C)C[N@H+](Cc1cnc2c(C#N)cnn2c1)Cc1ccccc1Br	ZINC000572121693	823286304	/nfs/dbraw/zinc/28/63/04/823286304.db2.gz	LALFXRFDDHVMSF-UHFFFAOYSA-N	1	1	398.308	4.022	20	30		GIEDMO
CC(C)C[N@@H+](Cc1cnc2c(C#N)cnn2c1)Cc1ccccc1Br	ZINC000572121693	823286310	/nfs/dbraw/zinc/28/63/10/823286310.db2.gz	LALFXRFDDHVMSF-UHFFFAOYSA-N	1	1	398.308	4.022	20	30		GIEDMO
COc1ccc(C[N@@H+](CC(=O)N(CCC#N)c2ccccc2)[C@@H](C)C2CC2)cc1	ZINC000057601078	823313395	/nfs/dbraw/zinc/31/33/95/823313395.db2.gz	QFZPQIAZZKAZCA-IBGZPJMESA-N	1	1	391.515	4.243	20	30		GIEDMO
N#CCCn1cc(C[N@@H+]2CC=C(c3ccc(O)cc3)CC2)c(-c2ccccc2)n1	ZINC000122261996	823329249	/nfs/dbraw/zinc/32/92/49/823329249.db2.gz	NUYIXVDHPAXSFV-UHFFFAOYSA-N	1	1	384.483	4.459	20	30		GIEDMO
C=CCn1c(=S)n(C[N@@H+]2CCC[C@H]2Cc2ccccc2)nc1-c1cccnc1	ZINC000122278073	823331657	/nfs/dbraw/zinc/33/16/57/823331657.db2.gz	RPJJVWKPNLDVMG-FQEVSTJZSA-N	1	1	391.544	4.327	20	30		GIEDMO
C=CCn1c(=S)n(C[N@H+]2CCC[C@H]2Cc2ccccc2)nc1-c1cccnc1	ZINC000122278073	823331664	/nfs/dbraw/zinc/33/16/64/823331664.db2.gz	RPJJVWKPNLDVMG-FQEVSTJZSA-N	1	1	391.544	4.327	20	30		GIEDMO
C=C(C)C[N@@H+](CC)CC(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1	ZINC000016338875	818426067	/nfs/dbraw/zinc/42/60/67/818426067.db2.gz	YNXUETWGDARLQM-GOSISDBHSA-N	1	1	379.504	4.014	20	30		GIEDMO
C=C(C)C[N@H+](CC)CC(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1	ZINC000016338875	818426070	/nfs/dbraw/zinc/42/60/70/818426070.db2.gz	YNXUETWGDARLQM-GOSISDBHSA-N	1	1	379.504	4.014	20	30		GIEDMO
Cc1ccc(C#N)cc1NC(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1	ZINC000572804766	823402309	/nfs/dbraw/zinc/40/23/09/823402309.db2.gz	WWMHPNNTPBRGGG-NRFANRHFSA-N	1	1	376.504	4.291	20	30		GIEDMO
N#Cc1ccc(C[N@H+]2CCCN(Cc3cnc(C4CCCC4)s3)CC2)cc1	ZINC000122809447	823416008	/nfs/dbraw/zinc/41/60/08/823416008.db2.gz	RNLVUNJXXDCSBK-UHFFFAOYSA-N	1	1	380.561	4.380	20	30		GIEDMO
N#Cc1ccc(CN2CCC[N@H+](Cc3cnc(C4CCCC4)s3)CC2)cc1	ZINC000122809447	823416012	/nfs/dbraw/zinc/41/60/12/823416012.db2.gz	RNLVUNJXXDCSBK-UHFFFAOYSA-N	1	1	380.561	4.380	20	30		GIEDMO
N#Cc1ccc(CN2CCC[N@@H+](Cc3cnc(C4CCCC4)s3)CC2)cc1	ZINC000122809447	823416014	/nfs/dbraw/zinc/41/60/14/823416014.db2.gz	RNLVUNJXXDCSBK-UHFFFAOYSA-N	1	1	380.561	4.380	20	30		GIEDMO
O=C(NC1CC[NH+](CC#Cc2ccc(C(F)(F)F)cc2)CC1)C1CCCCC1	ZINC000177269717	823416095	/nfs/dbraw/zinc/41/60/95/823416095.db2.gz	VSDSPQPQVJJULX-UHFFFAOYSA-N	1	1	392.465	4.218	20	30		GIEDMO
C=C(C)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC[N@H+](CC)CC1	ZINC000460554228	823430144	/nfs/dbraw/zinc/43/01/44/823430144.db2.gz	CRGGZVDKXTXTPU-FQEVSTJZSA-N	1	1	397.567	4.143	20	30		GIEDMO
N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)cc1Cl	ZINC000024664373	819862231	/nfs/dbraw/zinc/86/22/31/819862231.db2.gz	QJBNEGLOGHBSAU-OAHLLOKOSA-N	1	1	394.862	4.171	20	30		GIEDMO
N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)cc1Cl	ZINC000024664373	819862242	/nfs/dbraw/zinc/86/22/42/819862242.db2.gz	QJBNEGLOGHBSAU-OAHLLOKOSA-N	1	1	394.862	4.171	20	30		GIEDMO
C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H]1c1ccc(OC)cc1OC	ZINC000025301331	819958006	/nfs/dbraw/zinc/95/80/06/819958006.db2.gz	NGNAENPJOFQXAP-DENIHFKCSA-N	1	1	397.515	4.009	20	30		GIEDMO
COc1ccc([C@H]2CCCCC[N@H+]2C[C@@H](O)COc2ccc(CC#N)cc2)cc1	ZINC000025302238	819958100	/nfs/dbraw/zinc/95/81/00/819958100.db2.gz	OJNWZZVBTOHOHR-ZJSXRUAMSA-N	1	1	394.515	4.118	20	30		GIEDMO
Cc1cc(C)n(-c2ccc(C[N@H+]3CCCN(Cc4ccc(C#N)cc4)CC3)cc2)n1	ZINC000025934094	820041837	/nfs/dbraw/zinc/04/18/37/820041837.db2.gz	YXIIMSQTLWNZQZ-UHFFFAOYSA-N	1	1	399.542	4.069	20	30		GIEDMO
Cc1cc(C)n(-c2ccc(CN3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)cc2)n1	ZINC000025934094	820041846	/nfs/dbraw/zinc/04/18/46/820041846.db2.gz	YXIIMSQTLWNZQZ-UHFFFAOYSA-N	1	1	399.542	4.069	20	30		GIEDMO
Cc1cc(C)n(-c2ccc(CN3CCC[N@@H+](Cc4ccc(C#N)cc4)CC3)cc2)n1	ZINC000025934094	820041858	/nfs/dbraw/zinc/04/18/58/820041858.db2.gz	YXIIMSQTLWNZQZ-UHFFFAOYSA-N	1	1	399.542	4.069	20	30		GIEDMO
O=C(C[N@H+]1CCC[C@@H]1c1cccs1)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000026484062	820103746	/nfs/dbraw/zinc/10/37/46/820103746.db2.gz	IGPICOXYIMBTCC-QGZVFWFLSA-N	1	1	392.446	4.072	20	30		GIEDMO
CC(=O)c1c(C)cc(C)c(C[N@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)c1C	ZINC000028154795	820314610	/nfs/dbraw/zinc/31/46/10/820314610.db2.gz	KWOLMODFAISCEV-UHFFFAOYSA-N	1	1	389.543	4.394	20	30		GIEDMO
N#Cc1ccccc1-c1ccccc1C(=O)N1CC[NH+](CCc2ccccc2)CC1	ZINC000028692063	820351764	/nfs/dbraw/zinc/35/17/64/820351764.db2.gz	ITYMOEXBYRKFGT-UHFFFAOYSA-N	1	1	395.506	4.226	20	30		GIEDMO
Cc1cc(CCCC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c(C)s1	ZINC000177574291	823494235	/nfs/dbraw/zinc/49/42/35/823494235.db2.gz	SNTNEUPDFLTBOK-UHFFFAOYSA-N	1	1	395.572	4.294	20	30		GIEDMO
Cc1cccc2nc(C3CC[NH+]([C@H](C)C(=O)NC4(C#N)CCCCC4)CC3)oc21	ZINC000189798097	823496508	/nfs/dbraw/zinc/49/65/08/823496508.db2.gz	WGKFODVSJISEJS-QGZVFWFLSA-N	1	1	394.519	4.047	20	30		GIEDMO
C=C(C)Cn1c(COc2ccc(C)cc2)nnc1N(C)[C@H]1CC[N@H+](CC)[C@@H](C)C1	ZINC000460786561	823512118	/nfs/dbraw/zinc/51/21/18/823512118.db2.gz	KIMFOYXSBJZIJN-PMACEKPBSA-N	1	1	397.567	4.051	20	30		GIEDMO
C[C@H](Oc1ccccc1C#N)C(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1	ZINC000060426082	823526074	/nfs/dbraw/zinc/52/60/74/823526074.db2.gz	GYAAKIIYMNLWJY-MOPGFXCFSA-N	1	1	391.515	4.016	20	30		GIEDMO
CC[N@@H+](CC(=O)NCCc1ccc(OC(C)C)cc1)[C@H](C)c1ccc(C#N)cc1	ZINC000060469598	823531758	/nfs/dbraw/zinc/53/17/58/823531758.db2.gz	VMSZLCACLBHMAL-LJQANCHMSA-N	1	1	393.531	4.087	20	30		GIEDMO
CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	ZINC000177847315	823535728	/nfs/dbraw/zinc/53/57/28/823535728.db2.gz	LBMHIUQFUHGJCP-UXHICEINSA-N	1	1	390.487	4.441	20	30		GIEDMO
CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](C)c1ccc(C#N)cc1	ZINC000042741458	821329224	/nfs/dbraw/zinc/32/92/24/821329224.db2.gz	YJLKWGMVKJOXFA-ZDUSSCGKSA-N	1	1	386.839	4.141	20	30		GIEDMO
CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](C)c1ccc(C#N)cc1	ZINC000042741458	821329234	/nfs/dbraw/zinc/32/92/34/821329234.db2.gz	YJLKWGMVKJOXFA-ZDUSSCGKSA-N	1	1	386.839	4.141	20	30		GIEDMO
CCOC(=O)CC[C@H]1CCC[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1	ZINC000180805956	821468673	/nfs/dbraw/zinc/46/86/73/821468673.db2.gz	KREZNXTYXZLVPK-LJQANCHMSA-N	1	1	394.519	4.019	20	30		GIEDMO
C[C@@H]1C[C@@H](N(C)C(=O)c2ccc(C3(C#N)CC3)cc2)CC[N@H+]1Cc1ccccc1	ZINC000180964612	821559768	/nfs/dbraw/zinc/55/97/68/821559768.db2.gz	KVJLXFTZYUTDBR-XXBNENTESA-N	1	1	387.527	4.367	20	30		GIEDMO
C[C@@H]([NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1)c1cccc(F)c1F	ZINC000181978305	822051163	/nfs/dbraw/zinc/05/11/63/822051163.db2.gz	MIVCOPWWWDEDKC-CYBMUJFWSA-N	1	1	377.822	4.216	20	30		GIEDMO
CNC(=O)c1ccc(C[N@@H+](C)CCC(C#N)(c2ccccc2)c2ccccc2)cc1	ZINC000182643874	822336008	/nfs/dbraw/zinc/33/60/08/822336008.db2.gz	RVAASJFFDXTSFG-UHFFFAOYSA-N	1	1	397.522	4.378	20	30		GIEDMO
CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1	ZINC000182871322	822383335	/nfs/dbraw/zinc/38/33/35/822383335.db2.gz	YBGVWGZBFCHORQ-NQIIRXRSSA-N	1	1	382.552	4.131	20	30		GIEDMO
Cc1c(C#N)cccc1NC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1	ZINC000178533653	822388989	/nfs/dbraw/zinc/38/89/89/822388989.db2.gz	YSPCNZHDNYXTTC-GGAORHGYSA-N	1	1	388.515	4.385	20	30		GIEDMO
C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N(C)Cc2ccc(C#N)cc2)cc1	ZINC000045780095	822412913	/nfs/dbraw/zinc/41/29/13/822412913.db2.gz	MUXFOBINHGEUGW-IBGZPJMESA-N	1	1	390.531	4.274	20	30		GIEDMO
CN(C)c1cc[nH+]cc1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1	ZINC000183412962	822470764	/nfs/dbraw/zinc/47/07/64/822470764.db2.gz	MEPUMFTZNAKJNP-UHFFFAOYSA-N	1	1	386.455	4.045	20	30		GIEDMO
C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+](C)Cc3cccc(C#N)c3)sc2C1	ZINC000046518399	822480435	/nfs/dbraw/zinc/48/04/35/822480435.db2.gz	GXXITLFTSXIGOK-OAHLLOKOSA-N	1	1	392.528	4.077	20	30		GIEDMO
CC[N@H+]1CC[C@H](CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C1	ZINC000046956871	822534077	/nfs/dbraw/zinc/53/40/77/822534077.db2.gz	UMGHOLXYAGSIQK-UZLBHIALSA-N	1	1	396.922	4.459	20	30		GIEDMO
N#Cc1cccc(OC2CC[NH+](Cc3c(C4CC4)nc4sccn34)CC2)c1	ZINC000179778693	822551035	/nfs/dbraw/zinc/55/10/35/822551035.db2.gz	WCRYHRDVNRNYOG-UHFFFAOYSA-N	1	1	378.501	4.188	20	30		GIEDMO
C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(Oc2ccccc2C#N)cc1	ZINC000179789889	822553533	/nfs/dbraw/zinc/55/35/33/822553533.db2.gz	ITTYAAMUVUJIHY-QFBILLFUSA-N	1	1	376.460	4.051	20	30		GIEDMO
C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC=C(c2c[nH]c3cc(F)ccc32)CC1	ZINC000047274024	822560975	/nfs/dbraw/zinc/56/09/75/822560975.db2.gz	SSICTTVOUMUGJN-OAHLLOKOSA-N	1	1	388.446	4.295	20	30		GIEDMO
C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC=C(c2c[nH]c3cc(F)ccc32)CC1	ZINC000047274024	822560977	/nfs/dbraw/zinc/56/09/77/822560977.db2.gz	SSICTTVOUMUGJN-OAHLLOKOSA-N	1	1	388.446	4.295	20	30		GIEDMO
COc1ccc(F)cc1[C@@H](C)[NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1	ZINC000179941787	822581880	/nfs/dbraw/zinc/58/18/80/822581880.db2.gz	IHOQOCBLBQZDJC-CQSZACIVSA-N	1	1	389.858	4.085	20	30		GIEDMO
CCOc1cc(C)ccc1NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000047764537	822607597	/nfs/dbraw/zinc/60/75/97/822607597.db2.gz	FUXJNQZFSZODJH-UHFFFAOYSA-N	1	1	392.503	4.005	20	30		GIEDMO
C[C@@H](C#N)Oc1ccccc1NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1	ZINC000184301695	822611031	/nfs/dbraw/zinc/61/10/31/822611031.db2.gz	IOJFZMTZGYJECW-WSTZPKSXSA-N	1	1	392.503	4.152	20	30		GIEDMO
CC[C@H]([NH2+]CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1)c1nc(C)cs1	ZINC000184431925	822633685	/nfs/dbraw/zinc/63/36/85/822633685.db2.gz	FLCQCPMGOOURHC-KRWDZBQOSA-N	1	1	390.940	4.401	20	30		GIEDMO
CC(C)(O)C[N@@H+](CC(=O)c1cn(CCC#N)c2ccccc12)Cc1ccccc1	ZINC000180203455	822638871	/nfs/dbraw/zinc/63/88/71/822638871.db2.gz	LNSQVIJJNZHKBH-UHFFFAOYSA-N	1	1	389.499	4.011	20	30		GIEDMO
C[C@H]([NH2+][C@@H](C)c1nc(C(C)(C)C)cs1)C(=O)N(CCC#N)c1ccccc1	ZINC000184494870	822645293	/nfs/dbraw/zinc/64/52/93/822645293.db2.gz	HXOKFUMOICGREV-HOTGVXAUSA-N	1	1	384.549	4.427	20	30		GIEDMO
CC(C)Oc1ccc(NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1	ZINC000048458793	822664052	/nfs/dbraw/zinc/66/40/52/822664052.db2.gz	ZGBQZWQYTVQKIQ-UHFFFAOYSA-N	1	1	392.503	4.085	20	30		GIEDMO
C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)Nc2ccc(CC#N)cc2Cl)C1	ZINC000455704666	822707635	/nfs/dbraw/zinc/70/76/35/822707635.db2.gz	NWBGWHLMVAKASU-CRAIPNDOSA-N	1	1	382.895	4.363	20	30		GIEDMO
C[C@@H]1C[C@H](CCNC(=O)Nc2cccc(CC#N)c2)C[N@H+]1Cc1ccccc1	ZINC000455911848	822747709	/nfs/dbraw/zinc/74/77/09/822747709.db2.gz	WTGGTTUYANWVQH-NQIIRXRSSA-N	1	1	376.504	4.175	20	30		GIEDMO
C[N@@H+](CCc1cccc(NC(=O)C(C)(C)Cc2ccc(C#N)cc2)c1)C1CC1	ZINC000455990617	822762738	/nfs/dbraw/zinc/76/27/38/822762738.db2.gz	IDTSEUYAFZDJDB-UHFFFAOYSA-N	1	1	375.516	4.402	20	30		GIEDMO
Cc1cc(C#N)cc(NC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1	ZINC000456000990	822764634	/nfs/dbraw/zinc/76/46/34/822764634.db2.gz	LSAKZOKXARXQHF-XMSQKQJNSA-N	1	1	376.504	4.384	20	30		GIEDMO
Cc1cnc([C@@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C2CC2)s1	ZINC000185348497	822769411	/nfs/dbraw/zinc/76/94/11/822769411.db2.gz	PGUWJPFPVQWPMP-PXNSSMCTSA-N	1	1	396.560	4.444	20	30		GIEDMO
Cc1cnc([C@@H]([NH2+][C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C2CC2)s1	ZINC000185348482	822769416	/nfs/dbraw/zinc/76/94/16/822769416.db2.gz	PGUWJPFPVQWPMP-XLIONFOSSA-N	1	1	396.560	4.444	20	30		GIEDMO
CCCC[C@@H]([NH2+]Cc1ccc(C#N)o1)C(=O)Nc1cccc(N2CCCC2)c1	ZINC000174329259	822772051	/nfs/dbraw/zinc/77/20/51/822772051.db2.gz	YZZGNTPIKSQWSO-OAQYLSRUSA-N	1	1	380.492	4.039	20	30		GIEDMO
CCC[N@@H+](CC(=O)N(CCC#N)c1cccc(C)c1C)Cc1ccc(C#N)cc1	ZINC000051855335	822780685	/nfs/dbraw/zinc/78/06/85/822780685.db2.gz	CTBNGEFFKBGSRG-UHFFFAOYSA-N	1	1	388.515	4.334	20	30		GIEDMO
N#CCCn1cc(C[NH2+]Cc2coc(-c3ccccc3)n2)c(-c2ccccc2)n1	ZINC000174474819	822794799	/nfs/dbraw/zinc/79/47/99/822794799.db2.gz	FYXQNKXTYNXGGD-UHFFFAOYSA-N	1	1	383.455	4.409	20	30		GIEDMO
Cc1[nH]c2ccccc2c1C1=CC[N@@H+](CCC(=O)Nc2ccccc2C#N)CC1	ZINC000174594450	822809612	/nfs/dbraw/zinc/80/96/12/822809612.db2.gz	UKERVNPPEZTDRB-UHFFFAOYSA-N	1	1	384.483	4.466	20	30		GIEDMO
COc1ccc(C[N@@H+](CCC(=O)Nc2sccc2C#N)[C@@H](C)C2CC2)cc1	ZINC000052774530	822810046	/nfs/dbraw/zinc/81/00/46/822810046.db2.gz	MGGCMHJZCKMUBQ-HNNXBMFYSA-N	1	1	383.517	4.258	20	30		GIEDMO
C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)Nc1ccc(CC#N)cc1	ZINC000174714159	822827475	/nfs/dbraw/zinc/82/74/75/822827475.db2.gz	LBKNZLHRJXSVFP-UHFFFAOYSA-N	1	1	388.471	4.299	20	30		GIEDMO
C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)Nc1ccc(CC#N)cc1	ZINC000174714159	822827480	/nfs/dbraw/zinc/82/74/80/822827480.db2.gz	LBKNZLHRJXSVFP-UHFFFAOYSA-N	1	1	388.471	4.299	20	30		GIEDMO
COc1ccc([C@@H]2CCCCC[N@H+]2C[C@H](O)COc2ccc(CC#N)cc2)cc1	ZINC000053421908	822834178	/nfs/dbraw/zinc/83/41/78/822834178.db2.gz	OJNWZZVBTOHOHR-URXFXBBRSA-N	1	1	394.515	4.118	20	30		GIEDMO
C[N@@H+](CCCCNC(=O)c1ccccc1Sc1ccccc1C#N)C1CC1	ZINC000457199679	822860472	/nfs/dbraw/zinc/86/04/72/822860472.db2.gz	LDPHLSNYQVCZSP-UHFFFAOYSA-N	1	1	379.529	4.314	20	30		GIEDMO
N#Cc1ccc(C[N@@H+]2CCCN(Cc3ncc(-c4cccc(F)c4)o3)CC2)cc1	ZINC000175023021	822869126	/nfs/dbraw/zinc/86/91/26/822869126.db2.gz	VALCMUIZTXISDD-UHFFFAOYSA-N	1	1	390.462	4.060	20	30		GIEDMO
CCC[N@@H+](Cc1ccc(C#N)cc1C)C1CCN(C(=O)c2ccccc2)CC1	ZINC000186286305	822870692	/nfs/dbraw/zinc/87/06/92/822870692.db2.gz	WOKVUGIOQMHWHQ-UHFFFAOYSA-N	1	1	375.516	4.384	20	30		GIEDMO
C=C(C)[C@H]([NH2+][C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(F)c(F)c1	ZINC000186455409	822898309	/nfs/dbraw/zinc/89/83/09/822898309.db2.gz	SVJITEZYZGPLMH-VLIAUNLRSA-N	1	1	394.487	4.183	20	30		GIEDMO
CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1	ZINC000054720340	822907698	/nfs/dbraw/zinc/90/76/98/822907698.db2.gz	SPUDBMHHEGLFSD-WMZHIEFXSA-N	1	1	390.531	4.315	20	30		GIEDMO
Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@@H+](C)CCOCc1ccc(C#N)cc1	ZINC000569626149	822946612	/nfs/dbraw/zinc/94/66/12/822946612.db2.gz	YLKKEYBSWOHQIL-UHFFFAOYSA-N	1	1	392.478	4.149	20	30		GIEDMO
CC(F)(F)c1cccc(NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1	ZINC000186993661	822993769	/nfs/dbraw/zinc/99/37/69/822993769.db2.gz	QJVQXOGTFVPFKC-UHFFFAOYSA-N	1	1	398.457	4.410	20	30		GIEDMO
C=CCN(Cc1cccs1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1	ZINC000175640996	823011322	/nfs/dbraw/zinc/01/13/22/823011322.db2.gz	LHWMLSHIJMMSJT-AZUAARDMSA-N	1	1	383.561	4.499	20	30		GIEDMO
C=CCN(Cc1cccs1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1	ZINC000175641040	823011408	/nfs/dbraw/zinc/01/14/08/823011408.db2.gz	LHWMLSHIJMMSJT-ICSRJNTNSA-N	1	1	383.561	4.499	20	30		GIEDMO
N#CCSc1cccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1	ZINC000175786769	823040182	/nfs/dbraw/zinc/04/01/82/823040182.db2.gz	SJVVJPIMKNUNIH-SEJPIABJSA-N	1	1	391.540	4.228	20	30		GIEDMO
C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1	ZINC000190196948	823549642	/nfs/dbraw/zinc/54/96/42/823549642.db2.gz	NZWMTCWRRKHBGD-RDJZCZTQSA-N	1	1	381.442	4.232	20	30		GIEDMO
C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1	ZINC000190196948	823549643	/nfs/dbraw/zinc/54/96/43/823549643.db2.gz	NZWMTCWRRKHBGD-RDJZCZTQSA-N	1	1	381.442	4.232	20	30		GIEDMO
C=CC[N@H+](Cc1cccs1)[C@@H](C)C(=O)N(C)Cc1nc2ccccc2s1	ZINC000411143016	823551393	/nfs/dbraw/zinc/55/13/93/823551393.db2.gz	YETMJOFIVDAEJW-HNNXBMFYSA-N	1	1	385.558	4.393	20	30		GIEDMO
C=CC[N@@H+](Cc1cccs1)[C@@H](C)C(=O)N(C)Cc1nc2ccccc2s1	ZINC000411143016	823551397	/nfs/dbraw/zinc/55/13/97/823551397.db2.gz	YETMJOFIVDAEJW-HNNXBMFYSA-N	1	1	385.558	4.393	20	30		GIEDMO
N#Cc1ccccc1N1CCC[N@H+](Cc2ccc(-c3ncco3)cc2F)CC1	ZINC000411167287	823553607	/nfs/dbraw/zinc/55/36/07/823553607.db2.gz	NTSBDAFLPVCWEI-UHFFFAOYSA-N	1	1	376.435	4.065	20	30		GIEDMO
Cc1ccc([C@@H]([NH2+]CC#Cc2ccccc2)c2cccc(S(C)(=O)=O)c2)cc1	ZINC000190381858	823568056	/nfs/dbraw/zinc/56/80/56/823568056.db2.gz	ITHUELCYSBZUGO-XMMPIXPASA-N	1	1	389.520	4.129	20	30		GIEDMO
C[C@@H](c1cccnc1)[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2	ZINC000411413251	823571447	/nfs/dbraw/zinc/57/14/47/823571447.db2.gz	CVIUZFHIRPHMHK-CABCVRRESA-N	1	1	382.533	4.161	20	30		GIEDMO
CC[N@@H+](Cc1c[nH]c2ccccc12)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2	ZINC000190455693	823577023	/nfs/dbraw/zinc/57/70/23/823577023.db2.gz	LEAKGJVYLWQGGB-CQSZACIVSA-N	1	1	392.528	4.439	20	30		GIEDMO
CN(CC[C@H]1CCCC[N@H+]1C)C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1	ZINC000461266398	823608836	/nfs/dbraw/zinc/60/88/36/823608836.db2.gz	VIIATVHFKVJVJA-GOSISDBHSA-N	1	1	395.478	4.436	20	30		GIEDMO
CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1	ZINC000461266399	823608862	/nfs/dbraw/zinc/60/88/62/823608862.db2.gz	VIIATVHFKVJVJA-SFHVURJKSA-N	1	1	395.478	4.436	20	30		GIEDMO
C=CCn1c(C)cc(C(=O)C[N@@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)c1C	ZINC000412002769	823620661	/nfs/dbraw/zinc/62/06/61/823620661.db2.gz	VDZUFAQFZUQASW-QHCPKHFHSA-N	1	1	378.516	4.327	20	30		GIEDMO
C=CCn1c(C)cc(C(=O)C[N@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)c1C	ZINC000412002769	823620662	/nfs/dbraw/zinc/62/06/62/823620662.db2.gz	VDZUFAQFZUQASW-QHCPKHFHSA-N	1	1	378.516	4.327	20	30		GIEDMO
C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H](O)COc1ccc2ccccc2c1	ZINC000063297549	823660650	/nfs/dbraw/zinc/66/06/50/823660650.db2.gz	FQESKLMWCUDMJA-JOCHJYFZSA-N	1	1	392.455	4.176	20	30		GIEDMO
C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H](O)COc1ccc2ccccc2c1	ZINC000063297549	823660652	/nfs/dbraw/zinc/66/06/52/823660652.db2.gz	FQESKLMWCUDMJA-JOCHJYFZSA-N	1	1	392.455	4.176	20	30		GIEDMO
C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H](O)CO[C@@H]1CCCc2ccccc21	ZINC000063381209	823666147	/nfs/dbraw/zinc/66/61/47/823666147.db2.gz	FADXMJUDSSTVNB-FYYLOGMGSA-N	1	1	396.487	4.038	20	30		GIEDMO
Cc1ccc(N(CCC#N)C(=O)[C@H](C)[NH+]2CCC(OC3CCCCC3)CC2)cc1	ZINC000125469004	823678630	/nfs/dbraw/zinc/67/86/30/823678630.db2.gz	WSUWALOGZSDFHX-FQEVSTJZSA-N	1	1	397.563	4.444	20	30		GIEDMO
CCc1nc(C(C)C)ccc1C[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1	ZINC000574342180	823705132	/nfs/dbraw/zinc/70/51/32/823705132.db2.gz	LBBCTWJXNIPOMS-UHFFFAOYSA-N	1	1	376.548	4.347	20	30		GIEDMO
CCc1nc(C(C)C)ccc1CN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000574342180	823705134	/nfs/dbraw/zinc/70/51/34/823705134.db2.gz	LBBCTWJXNIPOMS-UHFFFAOYSA-N	1	1	376.548	4.347	20	30		GIEDMO
CCc1nc(C(C)C)ccc1CN1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000574342180	823705135	/nfs/dbraw/zinc/70/51/35/823705135.db2.gz	LBBCTWJXNIPOMS-UHFFFAOYSA-N	1	1	376.548	4.347	20	30		GIEDMO
C[C@H](C(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1)c1cccc(C#N)c1	ZINC000461910595	823750470	/nfs/dbraw/zinc/75/04/70/823750470.db2.gz	NWWXLONLXAEUHQ-ZCNNSNEGSA-N	1	1	389.543	4.456	20	30		GIEDMO
N#CCCN(Cc1ccccn1)C(=O)C[NH+](Cc1ccccc1)Cc1ccccc1	ZINC000462012816	823794158	/nfs/dbraw/zinc/79/41/58/823794158.db2.gz	VMRADJKSJLMWHQ-UHFFFAOYSA-N	1	1	398.510	4.026	20	30		GIEDMO
C=CCN(CCc1ccccc1)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1	ZINC000064644391	823856915	/nfs/dbraw/zinc/85/69/15/823856915.db2.gz	ZMVAJCNTCSVNLK-NRFANRHFSA-N	1	1	397.588	4.400	20	30		GIEDMO
Cc1ccc(NC(=O)NC[C@H]2CCC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)cc1	ZINC000192098142	823859584	/nfs/dbraw/zinc/85/95/84/823859584.db2.gz	RRAUEMVAKCAFLV-GOSISDBHSA-N	1	1	380.467	4.040	20	30		GIEDMO
C[C@H](C(=O)N[C@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C)c1cccc(C#N)c1	ZINC000462210883	823873747	/nfs/dbraw/zinc/87/37/47/823873747.db2.gz	GZILZWKDHOGPCM-FDDCHVKYSA-N	1	1	389.543	4.251	20	30		GIEDMO
C[N@H+](CCC(F)(F)F)[C@H](CNC(=O)CCCC#N)c1ccc(Cl)cc1	ZINC000462389318	823955697	/nfs/dbraw/zinc/95/56/97/823955697.db2.gz	BYXYLZLHRVJAEN-OAHLLOKOSA-N	1	1	375.822	4.075	20	30		GIEDMO
C[N@@H+](CCC(F)(F)F)[C@H](CNC(=O)CCCC#N)c1ccc(Cl)cc1	ZINC000462389318	823955705	/nfs/dbraw/zinc/95/57/05/823955705.db2.gz	BYXYLZLHRVJAEN-OAHLLOKOSA-N	1	1	375.822	4.075	20	30		GIEDMO
COc1ccc(C[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C(C)(C)C)cc1	ZINC000575832927	824006660	/nfs/dbraw/zinc/00/66/60/824006660.db2.gz	OLLIFSITGQTZCS-UHFFFAOYSA-N	1	1	376.460	4.418	20	30		GIEDMO
COc1ccc(C[N@H+]2CCC[C@H](Oc3ccccc3)C2)cc1OCCCC#N	ZINC000414559470	824012656	/nfs/dbraw/zinc/01/26/56/824012656.db2.gz	PWBIZULOCNMWMF-NRFANRHFSA-N	1	1	380.488	4.421	20	30		GIEDMO
N#Cc1ccc(-c2ccc(F)cc2)nc1N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cccnc1	ZINC001164726122	720339009	/nfs/dbraw/zinc/33/90/09/720339009.db2.gz	PUQHOQRRBAMJCW-GOTSBHOMSA-N	1	1	399.473	4.008	20	30		GIEDMO
N#Cc1ccc(-c2ccc(F)cc2)nc1N1CC[C@@H]2[C@H]1CC[N@H+]2Cc1cccnc1	ZINC001164726112	720339413	/nfs/dbraw/zinc/33/94/13/720339413.db2.gz	PUQHOQRRBAMJCW-DHIUTWEWSA-N	1	1	399.473	4.008	20	30		GIEDMO
Cc1cc(Cl)nc(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)c1C#N	ZINC001164793760	721490816	/nfs/dbraw/zinc/49/08/16/721490816.db2.gz	VNHGDCWXKMXTAB-UHFFFAOYSA-N	1	1	395.938	4.191	20	30		GIEDMO
CC(C)c1ccc(C#N)c(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)n1	ZINC001164793771	721491192	/nfs/dbraw/zinc/49/11/92/721491192.db2.gz	VTAUXYNPICKFGV-UHFFFAOYSA-N	1	1	389.547	4.353	20	30		GIEDMO
CC(C)c1ccc(C#N)c(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)n1	ZINC001165021542	721802763	/nfs/dbraw/zinc/80/27/63/721802763.db2.gz	HKXRZSWNFPCYHF-XKCSPQBFSA-N	1	1	389.547	4.209	20	30		GIEDMO
N#Cc1cc(F)c(Cl)nc1N1CCC[C@]2(CC[N@@H+]2Cc2cccc(F)c2)C1	ZINC001164995492	722191700	/nfs/dbraw/zinc/19/17/00/722191700.db2.gz	VFHOIUNOIGCDHF-FQEVSTJZSA-N	1	1	388.849	4.130	20	30		GIEDMO
C[C@@H]([NH2+]C1(CN[C@@H]2CCc3ccc(C#N)cc32)CCOCC1)c1ccccc1	ZINC000570487976	823045191	/nfs/dbraw/zinc/04/51/91/823045191.db2.gz	FKVKAGYSJXIUMC-WZONZLPQSA-N	1	1	375.516	4.035	20	30		GIEDMO
CCOc1cc2c(cc1OCC)C[N@H+](Cc1ccc(O[C@H](C)C#N)cc1)CC2	ZINC000120975211	823095862	/nfs/dbraw/zinc/09/58/62/823095862.db2.gz	FPHCDAADFDLENQ-QGZVFWFLSA-N	1	1	380.488	4.333	20	30		GIEDMO
CCOc1cc2c(cc1OCC)C[N@@H+](Cc1ccc(O[C@H](C)C#N)cc1)CC2	ZINC000120975211	823095866	/nfs/dbraw/zinc/09/58/66/823095866.db2.gz	FPHCDAADFDLENQ-QGZVFWFLSA-N	1	1	380.488	4.333	20	30		GIEDMO
Cc1nc(C(C)C)sc1[C@H](C)[N@@H+](C)C[C@H](O)COc1ccc(CC#N)cc1	ZINC000120978405	823096471	/nfs/dbraw/zinc/09/64/71/823096471.db2.gz	WEGVOCGXTGDLEF-WMZOPIPTSA-N	1	1	387.549	4.074	20	30		GIEDMO
C=C(C)[C@@H]([NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C)c1ccc(F)c(F)c1	ZINC000187754891	823126282	/nfs/dbraw/zinc/12/62/82/823126282.db2.gz	GMFQARAUZWQVLR-LJQANCHMSA-N	1	1	375.375	4.027	20	30		GIEDMO
N#CC[C@@H](CC(=O)NC[C@H]([NH2+]Cc1ccccc1)c1ccco1)c1ccccc1	ZINC000571067227	823127108	/nfs/dbraw/zinc/12/71/08/823127108.db2.gz	CGLOGSNNPCQZMB-VXKWHMMOSA-N	1	1	387.483	4.314	20	30		GIEDMO
C=C(C)[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(F)c(F)c1	ZINC000187759621	823127113	/nfs/dbraw/zinc/12/71/13/823127113.db2.gz	XNYGQFVSFGVYEI-KPZWWZAWSA-N	1	1	375.375	4.107	20	30		GIEDMO
N#CC[C@@H](CC(=O)NC[C@@H]([NH2+]Cc1ccccc1)c1ccco1)c1ccccc1	ZINC000571067223	823127201	/nfs/dbraw/zinc/12/72/01/823127201.db2.gz	CGLOGSNNPCQZMB-FCHUYYIVSA-N	1	1	387.483	4.314	20	30		GIEDMO
C=C(C)[C@H]([NH2+]CC(=O)Nc1ccccc1OC(F)F)c1ccc(F)c(F)c1	ZINC000187769115	823129347	/nfs/dbraw/zinc/12/93/47/823129347.db2.gz	PCOORVBHSBHWJU-SFHVURJKSA-N	1	1	382.357	4.412	20	30		GIEDMO
C=C(C)[C@@H]([NH2+][C@@H](C)C(=O)N1CCc2sccc2C1)c1ccc(F)c(F)c1	ZINC000187792854	823134223	/nfs/dbraw/zinc/13/42/23/823134223.db2.gz	HYROCTZNJIJSCJ-ORAYPTAESA-N	1	1	376.472	4.207	20	30		GIEDMO
N#C[C@H](c1ccccc1)N1CC[NH+](Cc2ccc(OCc3ccncc3)cc2)CC1	ZINC000176157054	823138986	/nfs/dbraw/zinc/13/89/86/823138986.db2.gz	WWZQXPPOEAYDQF-RUZDIDTESA-N	1	1	398.510	4.043	20	30		GIEDMO
CCOc1cc(C[N@@H+](C)Cc2ccc(C#N)cc2)cc(Br)c1O	ZINC000459306799	823159469	/nfs/dbraw/zinc/15/94/69/823159469.db2.gz	RPPJYRONVIUAMA-UHFFFAOYSA-N	1	1	375.266	4.057	20	30		GIEDMO
Cc1cc(N2CCC(CCC#N)CC2)nc([C@@H](C)[NH+]2CCC(CCC#N)CC2)n1	ZINC000571321197	823164851	/nfs/dbraw/zinc/16/48/51/823164851.db2.gz	ZZNILTIHPWCGIZ-LJQANCHMSA-N	1	1	394.567	4.382	20	30		GIEDMO
Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H](C)c2nc3c(s2)CCC3)c1	ZINC000459633245	823233729	/nfs/dbraw/zinc/23/37/29/823233729.db2.gz	LJJXKUYQJSCVKY-IRXDYDNUSA-N	1	1	396.560	4.235	20	30		GIEDMO
C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H]2c2ccc(OC)cc2)c(OC)c1	ZINC000057942864	823349167	/nfs/dbraw/zinc/34/91/67/823349167.db2.gz	WCLLCHHIAPGKIO-RBBKRZOGSA-N	1	1	397.515	4.009	20	30		GIEDMO
C=CCOc1ccc(CNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1	ZINC000572508831	823351855	/nfs/dbraw/zinc/35/18/55/823351855.db2.gz	NTWPCSAKOMMSGX-UGKGYDQZSA-N	1	1	393.531	4.104	20	30		GIEDMO
CC(C)c1ccc([C@@H]([NH2+]CC(=O)N[C@@](C)(C#N)C2CC2)c2cccs2)cc1	ZINC000058069530	823359041	/nfs/dbraw/zinc/35/90/41/823359041.db2.gz	SDLZMOHGJPOEEX-YADHBBJMSA-N	1	1	381.545	4.359	20	30		GIEDMO
CCCc1sc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1CC	ZINC000023450748	818942547	/nfs/dbraw/zinc/94/25/47/818942547.db2.gz	PMZIEIZTBZWNCU-UHFFFAOYSA-N	1	1	395.572	4.483	20	30		GIEDMO
CCCc1sc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1CC	ZINC000023450748	818942551	/nfs/dbraw/zinc/94/25/51/818942551.db2.gz	PMZIEIZTBZWNCU-UHFFFAOYSA-N	1	1	395.572	4.483	20	30		GIEDMO
Cc1nc2ccccc2n1C1CC[NH+](Cc2nnc(-c3cccc(C#N)c3)o2)CC1	ZINC000572696726	823384858	/nfs/dbraw/zinc/38/48/58/823384858.db2.gz	FSWLYKVSNIMFMI-UHFFFAOYSA-N	1	1	398.470	4.104	20	30		GIEDMO
Cc1cc(Br)ccc1NC(=O)C[N@@H+](C)[C@H](C)c1cccc(C#N)c1	ZINC000189348909	823399193	/nfs/dbraw/zinc/39/91/93/823399193.db2.gz	OYVUGLPPRIJXRS-CQSZACIVSA-N	1	1	386.293	4.261	20	30		GIEDMO
Cc1cc(Br)ccc1NC(=O)C[N@H+](C)[C@H](C)c1cccc(C#N)c1	ZINC000189348909	823399195	/nfs/dbraw/zinc/39/91/95/823399195.db2.gz	OYVUGLPPRIJXRS-CQSZACIVSA-N	1	1	386.293	4.261	20	30		GIEDMO
C=CC[C@@H](C(=O)NCC1CC[NH+](Cc2csc(CC)n2)CC1)c1ccccc1	ZINC000189414904	823411385	/nfs/dbraw/zinc/41/13/85/823411385.db2.gz	JMWFVJSBAUXTPC-OAQYLSRUSA-N	1	1	397.588	4.394	20	30		GIEDMO
N#Cc1ccc(C[N@@H+]2CCCN(Cc3coc(-c4ccc(F)cc4)n3)CC2)cc1	ZINC000024825495	819881796	/nfs/dbraw/zinc/88/17/96/819881796.db2.gz	WAQOKHLQIVVAFM-UHFFFAOYSA-N	1	1	390.462	4.060	20	30		GIEDMO
C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H]1c1cc(OC)ccc1OC	ZINC000025233011	819946941	/nfs/dbraw/zinc/94/69/41/819946941.db2.gz	LJXCLPMGSGKIOX-KNQAVFIVSA-N	1	1	397.515	4.009	20	30		GIEDMO
C[C@@H](CNC(=O)c1ccccc1-c1ccccc1C#N)[N@H+]1CCc2ccccc2C1	ZINC000025641162	820010048	/nfs/dbraw/zinc/01/00/48/820010048.db2.gz	WHFXJLSLGRLTPY-IBGZPJMESA-N	1	1	395.506	4.402	20	30		GIEDMO
CCCC[N@@H+](CC)Cc1cccc(CNC(=O)Cc2c(F)cccc2C#N)c1	ZINC000573116137	823449607	/nfs/dbraw/zinc/44/96/07/823449607.db2.gz	PNPCVBRFESKKMN-UHFFFAOYSA-N	1	1	381.495	4.178	20	30		GIEDMO
Cc1oc(NC(=O)[C@H](C)[NH+]2CCC(CCc3ccccc3)CC2)c(C#N)c1C	ZINC000028119876	820312196	/nfs/dbraw/zinc/31/21/96/820312196.db2.gz	STMOJFDGDXWXQR-KRWDZBQOSA-N	1	1	379.504	4.440	20	30		GIEDMO
N#CCCn1cc(C(=O)C[NH+]2CCC(OCC3CCCC3)CC2)c2ccccc21	ZINC000177478918	823472062	/nfs/dbraw/zinc/47/20/62/823472062.db2.gz	SXFVUKYISACHAC-UHFFFAOYSA-N	1	1	393.531	4.409	20	30		GIEDMO
CN(Cc1cccc(C#N)c1)C(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1	ZINC000573261417	823472524	/nfs/dbraw/zinc/47/25/24/823472524.db2.gz	BDTFXUPBAFQEBO-HSZRJFAPSA-N	1	1	390.531	4.002	20	30		GIEDMO
C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1nc2ccccc2s1	ZINC000028888738	820367299	/nfs/dbraw/zinc/36/72/99/820367299.db2.gz	MZMZIRFUMDGPSE-UHFFFAOYSA-N	1	1	396.541	4.179	20	30		GIEDMO
C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1nc2ccccc2s1	ZINC000028888738	820367307	/nfs/dbraw/zinc/36/73/07/820367307.db2.gz	MZMZIRFUMDGPSE-UHFFFAOYSA-N	1	1	396.541	4.179	20	30		GIEDMO
CCOc1ccc(C[N@H+](C)CC(=O)N(CCC#N)c2ccc(C)c(C)c2)cc1	ZINC000028931737	820375553	/nfs/dbraw/zinc/37/55/53/820375553.db2.gz	OTQHOWUWNCPRGW-UHFFFAOYSA-N	1	1	379.504	4.081	20	30		GIEDMO
CCOc1ccc(C[N@@H+](C)CC(=O)N(CCC#N)c2ccc(C)c(C)c2)cc1	ZINC000028931737	820375564	/nfs/dbraw/zinc/37/55/64/820375564.db2.gz	OTQHOWUWNCPRGW-UHFFFAOYSA-N	1	1	379.504	4.081	20	30		GIEDMO
CC(C)c1nc(C2CC[NH+](Cc3ccc(C#N)cc3C(F)(F)F)CC2)no1	ZINC000573294910	823477483	/nfs/dbraw/zinc/47/74/83/823477483.db2.gz	WRHYNAFLQHHEPU-UHFFFAOYSA-N	1	1	378.398	4.463	20	30		GIEDMO
C[C@H]1C[C@H](N(C)C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)CC[N@H+]1C	ZINC000123217265	823480251	/nfs/dbraw/zinc/48/02/51/823480251.db2.gz	ASTNYQQNVDWTBS-DOTOQJQBSA-N	1	1	381.451	4.044	20	30		GIEDMO
C=C(C)Cn1c(COc2cccc(C)c2)nnc1N(C)[C@H]1CC[N@H+](CC)[C@@H](C)C1	ZINC000460795059	823514378	/nfs/dbraw/zinc/51/43/78/823514378.db2.gz	RJNBCTDXVQKPIW-PMACEKPBSA-N	1	1	397.567	4.051	20	30		GIEDMO
C=C(C)Cn1c(-c2ccoc2)nnc1N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1	ZINC000460804540	823517116	/nfs/dbraw/zinc/51/71/16/823517116.db2.gz	QBJQYUAWSPMKHN-LJQANCHMSA-N	1	1	391.519	4.215	20	30		GIEDMO
CCC[N@H+](Cc1nnc(-c2ccccc2Cl)o1)C[C@H](O)c1ccc(C#N)cc1	ZINC000177760967	823521910	/nfs/dbraw/zinc/52/19/10/823521910.db2.gz	KFDDZUZSHZPSPS-IBGZPJMESA-N	1	1	396.878	4.207	20	30		GIEDMO
COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+](C)Cc1cccc(Cl)c1	ZINC000042332436	821301658	/nfs/dbraw/zinc/30/16/58/821301658.db2.gz	RUPOAOQLSFQSDS-INIZCTEOSA-N	1	1	385.895	4.116	20	30		GIEDMO
COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+](C)Cc1cccc(Cl)c1	ZINC000042332436	821301667	/nfs/dbraw/zinc/30/16/67/821301667.db2.gz	RUPOAOQLSFQSDS-INIZCTEOSA-N	1	1	385.895	4.116	20	30		GIEDMO
CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](C)c1ccc(C#N)cc1	ZINC000042741462	821329147	/nfs/dbraw/zinc/32/91/47/821329147.db2.gz	YJLKWGMVKJOXFA-CYBMUJFWSA-N	1	1	386.839	4.141	20	30		GIEDMO
CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](C)c1ccc(C#N)cc1	ZINC000042741462	821329149	/nfs/dbraw/zinc/32/91/49/821329149.db2.gz	YJLKWGMVKJOXFA-CYBMUJFWSA-N	1	1	386.839	4.141	20	30		GIEDMO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)Nc3cc(Cl)ccc3F)CC2)cc1	ZINC000043527901	821422562	/nfs/dbraw/zinc/42/25/62/821422562.db2.gz	PTNBVAYIPHFIQF-UHFFFAOYSA-N	1	1	386.858	4.091	20	30		GIEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Nc3cc(Cl)ccc3F)CC2)cc1	ZINC000043527901	821422568	/nfs/dbraw/zinc/42/25/68/821422568.db2.gz	PTNBVAYIPHFIQF-UHFFFAOYSA-N	1	1	386.858	4.091	20	30		GIEDMO
CCCOc1cccc(NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1	ZINC000044204701	821545876	/nfs/dbraw/zinc/54/58/76/821545876.db2.gz	YZNZWEWHQAWGPP-UHFFFAOYSA-N	1	1	392.503	4.087	20	30		GIEDMO
N#Cc1ccc(CN2CCC([NH2+]Cc3coc(-c4cccs4)n3)CC2)cc1	ZINC000181582077	821888148	/nfs/dbraw/zinc/88/81/48/821888148.db2.gz	AMEJYLIWOTWFTC-UHFFFAOYSA-N	1	1	378.501	4.029	20	30		GIEDMO
N#Cc1ccc(C[NH+]2CCC(NCc3ccccc3Br)CC2)cc1	ZINC000181626659	821910718	/nfs/dbraw/zinc/91/07/18/821910718.db2.gz	YRRZQVQVHKASPL-UHFFFAOYSA-N	1	1	384.321	4.075	20	30		GIEDMO
Cc1ccc(C#N)cc1NC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1	ZINC000178242112	822357874	/nfs/dbraw/zinc/35/78/74/822357874.db2.gz	ICPWNHYJNXXUIJ-GGAORHGYSA-N	1	1	388.515	4.385	20	30		GIEDMO
Cc1c(C#N)cccc1NC(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1	ZINC000178560207	822392024	/nfs/dbraw/zinc/39/20/24/822392024.db2.gz	AGHUWVHAILBZFY-UHFFFAOYSA-N	1	1	376.504	4.243	20	30		GIEDMO
C[NH+](C)[C@H](CNC(=O)N[C@H](CCC#N)c1ccccc1)c1ccccc1Cl	ZINC000178710160	822404717	/nfs/dbraw/zinc/40/47/17/822404717.db2.gz	NIIRLSYKXMHFPL-WOJBJXKFSA-N	1	1	384.911	4.287	20	30		GIEDMO
C[C@H](C(=O)N(c1nccs1)C1CCCCC1)[N@H+](C)Cc1ccc(C#N)cc1	ZINC000046529083	822481918	/nfs/dbraw/zinc/48/19/18/822481918.db2.gz	PNMQMIRSWWRKCP-MRXNPFEDSA-N	1	1	382.533	4.201	20	30		GIEDMO
C[C@H](C(=O)N(c1nccs1)C1CCCCC1)[N@@H+](C)Cc1ccc(C#N)cc1	ZINC000046529083	822481920	/nfs/dbraw/zinc/48/19/20/822481920.db2.gz	PNMQMIRSWWRKCP-MRXNPFEDSA-N	1	1	382.533	4.201	20	30		GIEDMO
C[C@@H](C(=O)N(c1nccs1)C1CCCCC1)[N@H+](C)Cc1ccc(C#N)cc1	ZINC000046529080	822481938	/nfs/dbraw/zinc/48/19/38/822481938.db2.gz	PNMQMIRSWWRKCP-INIZCTEOSA-N	1	1	382.533	4.201	20	30		GIEDMO
C[C@@H](C(=O)N(c1nccs1)C1CCCCC1)[N@@H+](C)Cc1ccc(C#N)cc1	ZINC000046529080	822481940	/nfs/dbraw/zinc/48/19/40/822481940.db2.gz	PNMQMIRSWWRKCP-INIZCTEOSA-N	1	1	382.533	4.201	20	30		GIEDMO
CC[N@@H+](Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)[C@H](C)c1ccc(C#N)cc1	ZINC000179463101	822486389	/nfs/dbraw/zinc/48/63/89/822486389.db2.gz	LCXUFBLBLCRYLK-MRXNPFEDSA-N	1	1	389.459	4.450	20	30		GIEDMO
CC[N@H+](Cc1c(C)nn(C)c1OCC(F)(F)F)[C@@H](C)c1ccc(C#N)cc1	ZINC000179464432	822486571	/nfs/dbraw/zinc/48/65/71/822486571.db2.gz	YPWBIZGPTSTQIU-AWEZNQCLSA-N	1	1	380.414	4.124	20	30		GIEDMO
CC[N@@H+](Cc1c(C)nn(C)c1OCC(F)(F)F)[C@@H](C)c1ccc(C#N)cc1	ZINC000179464432	822486572	/nfs/dbraw/zinc/48/65/72/822486572.db2.gz	YPWBIZGPTSTQIU-AWEZNQCLSA-N	1	1	380.414	4.124	20	30		GIEDMO
C[C@@H]1CN(C(=O)N[C@@H](CCC#N)c2ccccc2)CC[N@@H+](Cc2ccccc2)C1	ZINC000454725006	822523962	/nfs/dbraw/zinc/52/39/62/822523962.db2.gz	UUMHOIMWKRJCER-REWPJTCUSA-N	1	1	390.531	4.195	20	30		GIEDMO
CCC[N@@H+](C)[C@@H](CNC(=O)N[C@H]1CC[C@@H](CC#N)C1)c1ccc(Cl)cc1	ZINC000455047148	822579743	/nfs/dbraw/zinc/57/97/43/822579743.db2.gz	PIZFNMIWDUWLFF-SNRMKQJTSA-N	1	1	376.932	4.104	20	30		GIEDMO
C=CCC[C@H]([NH2+]Cc1csc(-c2c(C)c(C)nn(C)c2=O)n1)c1ccccc1	ZINC000180036241	822602029	/nfs/dbraw/zinc/60/20/29/822602029.db2.gz	DQXXVUSBCHWBBF-IBGZPJMESA-N	1	1	394.544	4.318	20	30		GIEDMO
C[C@@H](C#N)Oc1ccccc1NC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1	ZINC000180038787	822602463	/nfs/dbraw/zinc/60/24/63/822602463.db2.gz	YREYIWWVYFGYDD-IRXDYDNUSA-N	1	1	398.532	4.073	20	30		GIEDMO
C[C@H](C#N)Oc1ccccc1NC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1	ZINC000180038803	822602479	/nfs/dbraw/zinc/60/24/79/822602479.db2.gz	YREYIWWVYFGYDD-SJORKVTESA-N	1	1	398.532	4.073	20	30		GIEDMO
C=CCC[C@H]([NH2+]Cc1nnnn1-c1ccc(C(F)(F)F)cc1)c1ccccc1	ZINC000180050081	822604359	/nfs/dbraw/zinc/60/43/59/822604359.db2.gz	XVNHDELEYMSAJC-SFHVURJKSA-N	1	1	387.409	4.478	20	30		GIEDMO
CCc1nc([C@H](C)[NH2+]CCC(=O)Nc2sc3c(c2C#N)CCCC3)cs1	ZINC000184683819	822676271	/nfs/dbraw/zinc/67/62/71/822676271.db2.gz	LKTGOWVBPFRTLB-LBPRGKRZSA-N	1	1	388.562	4.197	20	30		GIEDMO
CC(C)(C)Oc1ccc(NC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1C#N	ZINC000455766107	822722466	/nfs/dbraw/zinc/72/24/66/822722466.db2.gz	HTCGTZYQQVZALN-UZLBHIALSA-N	1	1	396.535	4.216	20	30		GIEDMO
COc1cccc([C@@H]2CCC[N@@H+]2CC(=O)N(CCC#N)c2cccc(C)c2C)c1	ZINC000051180502	822749184	/nfs/dbraw/zinc/74/91/84/822749184.db2.gz	VBGPEVGTJQAOCS-QHCPKHFHSA-N	1	1	391.515	4.396	20	30		GIEDMO
COc1cccc([C@@H]2CCC[N@H+]2CC(=O)N(CCC#N)c2cccc(C)c2C)c1	ZINC000051180502	822749186	/nfs/dbraw/zinc/74/91/86/822749186.db2.gz	VBGPEVGTJQAOCS-QHCPKHFHSA-N	1	1	391.515	4.396	20	30		GIEDMO
CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1cccc(CC#N)c1	ZINC000455922410	822750044	/nfs/dbraw/zinc/75/00/44/822750044.db2.gz	QPTQGXZIBUWXHL-NRFANRHFSA-N	1	1	376.504	4.129	20	30		GIEDMO
Cc1cc(C#N)cc(NC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1	ZINC000456000989	822764602	/nfs/dbraw/zinc/76/46/02/822764602.db2.gz	LSAKZOKXARXQHF-PGRDOPGGSA-N	1	1	376.504	4.384	20	30		GIEDMO
CCC[N@@H+](Cc1ccccc1O)[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1	ZINC000174372560	822779948	/nfs/dbraw/zinc/77/99/48/822779948.db2.gz	ZPFQRXKQADUMPY-QGZVFWFLSA-N	1	1	383.467	4.079	20	30		GIEDMO
N#CCCn1cc(C[N@H+]2CC[C@@]3(C2)OCc2ccccc23)c(-c2ccccc2)n1	ZINC000186435528	822894968	/nfs/dbraw/zinc/89/49/68/822894968.db2.gz	PIPWQOUUSWEZRF-DEOSSOPVSA-N	1	1	384.483	4.095	20	30		GIEDMO
COc1ccc(C[N@H+]2CC[C@@]3(C2)OCc2ccccc23)cc1OCCCC#N	ZINC000186449004	822897201	/nfs/dbraw/zinc/89/72/01/822897201.db2.gz	XMTSOUZVKPDVNR-QHCPKHFHSA-N	1	1	378.472	4.009	20	30		GIEDMO
COc1ccc(C[N@H+]2CC[C@]3(C2)OCc2ccccc23)cc1OCCCC#N	ZINC000186448984	822897338	/nfs/dbraw/zinc/89/73/38/822897338.db2.gz	XMTSOUZVKPDVNR-HSZRJFAPSA-N	1	1	378.472	4.009	20	30		GIEDMO
C=C(C)[C@@H]([NH2+][C@H](C)c1ccc(S(C)(=O)=O)c(OC)c1)c1ccc(F)c(F)c1	ZINC000186454063	822898135	/nfs/dbraw/zinc/89/81/35/822898135.db2.gz	GOQMYKKEKYHOJG-ZUOKHONESA-N	1	1	395.471	4.345	20	30		GIEDMO
C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+](C)Cc1cc2ccccc2o1	ZINC000175182505	822899443	/nfs/dbraw/zinc/89/94/43/822899443.db2.gz	UAQIPJYUDCTEHB-ZDUSSCGKSA-N	1	1	379.485	4.314	20	30		GIEDMO
C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+](C)Cc1cc2ccccc2o1	ZINC000175182505	822899444	/nfs/dbraw/zinc/89/94/44/822899444.db2.gz	UAQIPJYUDCTEHB-ZDUSSCGKSA-N	1	1	379.485	4.314	20	30		GIEDMO
C[N@@H+](CCC(F)(F)F)[C@@H](CNc1ccc(C#N)cn1)c1ccc(Cl)cc1	ZINC000569340091	822909472	/nfs/dbraw/zinc/90/94/72/822909472.db2.gz	WWORGZYMVZDKGT-INIZCTEOSA-N	1	1	382.817	4.066	20	30		GIEDMO
C[C@H](c1cccc(C(F)(F)F)c1)[N@@H+](Cc1cnc2c(C#N)cnn2c1)C1CC1	ZINC000569364734	822911641	/nfs/dbraw/zinc/91/16/41/822911641.db2.gz	UFBBDYIUTQVMIC-CYBMUJFWSA-N	1	1	385.393	4.345	20	30		GIEDMO
C=CCSc1ccccc1NC(=O)C[NH2+]C(C)(C)c1nc2ccccc2n1C	ZINC000186573331	822915948	/nfs/dbraw/zinc/91/59/48/822915948.db2.gz	VZDODDXZZJIVRA-UHFFFAOYSA-N	1	1	394.544	4.315	20	30		GIEDMO
CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@@H](CCCC#N)c2ccccc2)c1	ZINC000458092482	822957602	/nfs/dbraw/zinc/95/76/02/822957602.db2.gz	AHXSARZLOWVSSG-QFIPXVFZSA-N	1	1	378.520	4.373	20	30		GIEDMO
C=CCn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)[C@@H]1CC[N@H+](C2CC2)C1	ZINC000569742508	822962167	/nfs/dbraw/zinc/96/21/67/822962167.db2.gz	GZHRKHPSSKIVRJ-OAHLLOKOSA-N	1	1	392.334	4.111	20	30		GIEDMO
C[N@H+]1CCC[C@H](CCNC(=O)c2ccccc2SCc2ccc(C#N)cc2)C1	ZINC000458169058	822964897	/nfs/dbraw/zinc/96/48/97/822964897.db2.gz	FDQNGEREUBHOHH-LJQANCHMSA-N	1	1	393.556	4.312	20	30		GIEDMO
CC[C@@H]1C[N@H+](C)CCN1C(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1	ZINC000569879677	822979853	/nfs/dbraw/zinc/97/98/53/822979853.db2.gz	CTTZTENXLUEPLM-QGZVFWFLSA-N	1	1	383.879	4.170	20	30		GIEDMO
CC[C@@H]1C[N@@H+](C)CCN1C(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1	ZINC000569879677	822979856	/nfs/dbraw/zinc/97/98/56/822979856.db2.gz	CTTZTENXLUEPLM-QGZVFWFLSA-N	1	1	383.879	4.170	20	30		GIEDMO
CCOc1ccc(C#N)cc1NC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1	ZINC000175620801	823008155	/nfs/dbraw/zinc/00/81/55/823008155.db2.gz	LSHCKGCNNWSIJU-PKOBYXMFSA-N	1	1	384.524	4.075	20	30		GIEDMO
C[C@@H]1C[C@H](N(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CC[N@H+]1C	ZINC000175710975	823025188	/nfs/dbraw/zinc/02/51/88/823025188.db2.gz	FUZYVNKJIQRGSG-VQIMIIECSA-N	1	1	378.476	4.297	20	30		GIEDMO
C=CCC1(NC(=O)NCC2CC[NH+](Cc3nc(C)c(C)o3)CC2)CCCCC1	ZINC000458374603	823033787	/nfs/dbraw/zinc/03/37/87/823033787.db2.gz	CUFVKRYVYXXPDL-UHFFFAOYSA-N	1	1	388.556	4.082	20	30		GIEDMO
C=CCn1c(-c2cc(Cl)ccc2Cl)nnc1N1C[C@H]2CCC[N@@H+]2C[C@H]1C	ZINC000570437927	823038206	/nfs/dbraw/zinc/03/82/06/823038206.db2.gz	IRJGWTHJYFNLAA-UKRRQHHQSA-N	1	1	392.334	4.111	20	30		GIEDMO
C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+](Cc3cccnc3)C3CC3)sc2C1	ZINC000411418834	823572001	/nfs/dbraw/zinc/57/20/01/823572001.db2.gz	NZLJJLAWJKQRBH-HNNXBMFYSA-N	1	1	394.544	4.133	20	30		GIEDMO
C=CCn1c(SCCCCn2cc[nH+]c2C)nc2cc(Cl)ccc2c1=O	ZINC000124588791	823608929	/nfs/dbraw/zinc/60/89/29/823608929.db2.gz	CKKMVDJNAWHZMB-UHFFFAOYSA-N	1	1	388.924	4.313	20	30		GIEDMO
C[C@@H]1C[C@H](CCNC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)C[N@H+]1Cc1ccccc1	ZINC000412200380	823635196	/nfs/dbraw/zinc/63/51/96/823635196.db2.gz	AYAJKHKPHUBJFW-QOFIPBISSA-N	1	1	387.527	4.079	20	30		GIEDMO
C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)Cc1ccc(OC(F)F)c(OC)c1	ZINC000063381160	823666156	/nfs/dbraw/zinc/66/61/56/823666156.db2.gz	LHNMSTJJMRXJLA-UHFFFAOYSA-N	1	1	378.375	4.393	20	30		GIEDMO
C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)Cc1ccc(OC(F)F)c(OC)c1	ZINC000063381160	823666159	/nfs/dbraw/zinc/66/61/59/823666159.db2.gz	LHNMSTJJMRXJLA-UHFFFAOYSA-N	1	1	378.375	4.393	20	30		GIEDMO
C=CCCC1(C(=O)NC2CC[NH+](Cc3cccc(Br)c3)CC2)CC1	ZINC000412968741	823695608	/nfs/dbraw/zinc/69/56/08/823695608.db2.gz	HUPXEGVSBOCTPM-UHFFFAOYSA-N	1	1	391.353	4.276	20	30		GIEDMO
N#CC(CC[N@@H+]1CCCN(CC(F)F)CC1)(c1ccccc1)c1ccccc1	ZINC000191603998	823710245	/nfs/dbraw/zinc/71/02/45/823710245.db2.gz	LVOMQGBPGGTQQD-UHFFFAOYSA-N	1	1	383.486	4.159	20	30		GIEDMO
COC(=O)CC[N@@H+](Cc1cccc(Br)c1)CC(C)(C)CCC#N	ZINC000191631394	823718958	/nfs/dbraw/zinc/71/89/58/823718958.db2.gz	XREYSGIUPLKABN-UHFFFAOYSA-N	1	1	381.314	4.144	20	30		GIEDMO
N#Cc1ccc([C@H](O)C[N@H+](CCCO)C(c2ccccc2)c2ccccc2)cc1	ZINC000126026754	823769349	/nfs/dbraw/zinc/76/93/49/823769349.db2.gz	BAUSONAOYNFXRB-XMMPIXPASA-N	1	1	386.495	4.066	20	30		GIEDMO
N#Cc1c(NC(=O)CC[N@@H+]2CCC[C@@H]2c2ccc(F)cc2)sc2c1CCC2	ZINC000164403849	823801352	/nfs/dbraw/zinc/80/13/52/823801352.db2.gz	JZQJXWKLKBZQAZ-GOSISDBHSA-N	1	1	383.492	4.413	20	30		GIEDMO
C[C@H](C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1cccc(C#N)c1	ZINC000462122511	823836034	/nfs/dbraw/zinc/83/60/34/823836034.db2.gz	KQXVGOWOLNQVSC-YDHSSHFGSA-N	1	1	375.516	4.173	20	30		GIEDMO
N#Cc1ccc(-c2nnc(C[NH2+][C@H]3CCO[C@@H]3c3ccc(Cl)c(F)c3)o2)cc1	ZINC000192085448	823855366	/nfs/dbraw/zinc/85/53/66/823855366.db2.gz	KIEHAQCHSUSEKU-PKOBYXMFSA-N	1	1	398.825	4.021	20	30		GIEDMO
CCC[N@@H+](Cc1ccc(C#N)c(F)c1)C1CCN(C(=O)c2ccccc2)CC1	ZINC000192097557	823859029	/nfs/dbraw/zinc/85/90/29/823859029.db2.gz	YKYGVKUMFYUHPI-UHFFFAOYSA-N	1	1	379.479	4.214	20	30		GIEDMO
Cc1ccc(NC(=O)NC[C@@H]2CCC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)cc1	ZINC000192098136	823859483	/nfs/dbraw/zinc/85/94/83/823859483.db2.gz	RRAUEMVAKCAFLV-SFHVURJKSA-N	1	1	380.467	4.040	20	30		GIEDMO
C[C@H](C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1)c1cccc(C#N)c1	ZINC000462239670	823890832	/nfs/dbraw/zinc/89/08/32/823890832.db2.gz	ZQQCFDPUPJXPHC-WDJPJFJCSA-N	1	1	387.527	4.175	20	30		GIEDMO
CCN(C[C@@H](C)C#N)C(=O)C[N@H+]([C@@H](C)c1cccc(C(F)(F)F)c1)C1CC1	ZINC000064932735	823914048	/nfs/dbraw/zinc/91/40/48/823914048.db2.gz	UCCVCVUJZDEMSI-GJZGRUSLSA-N	1	1	381.442	4.239	20	30		GIEDMO
CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]([C@@H](C)c1cccc(C(F)(F)F)c1)C1CC1	ZINC000064932735	823914050	/nfs/dbraw/zinc/91/40/50/823914050.db2.gz	UCCVCVUJZDEMSI-GJZGRUSLSA-N	1	1	381.442	4.239	20	30		GIEDMO
C=CCOc1ccc(C[N@@H+](C)[C@@H](C)c2ccc(-n3cncn3)cc2)cc1OC	ZINC000127140165	824024589	/nfs/dbraw/zinc/02/45/89/824024589.db2.gz	SDUYVNXMDGSSMZ-KRWDZBQOSA-N	1	1	378.476	4.034	20	30		GIEDMO
CC[N@@H+](Cc1ccc(C(=O)Nc2ncccc2OCCCC#N)cc1)C(C)C	ZINC000171057422	824050010	/nfs/dbraw/zinc/05/00/10/824050010.db2.gz	YXPPNQWUORHADF-UHFFFAOYSA-N	1	1	380.492	4.247	20	30		GIEDMO
N#Cc1cc(Cl)c(Cl)nc1N1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21	ZINC001164627249	719078150	/nfs/dbraw/zinc/07/81/50/719078150.db2.gz	QAVHIMBXAOZRCJ-MAUKXSAKSA-N	1	1	387.314	4.361	20	30		GIEDMO
C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(C#N)c4ccccc4n3)C[C@@H]21	ZINC001165020777	721823597	/nfs/dbraw/zinc/82/35/97/721823597.db2.gz	DTJGDKCUJZAGMV-JKFKMHIGSA-N	1	1	397.526	4.238	20	30		GIEDMO
C=CC[NH+]1CCN(c2nc(Cl)nc(-c3ccc(-c4ccccc4)cc3)n2)CC1	ZINC001165031761	721867380	/nfs/dbraw/zinc/86/73/80/721867380.db2.gz	URMFZJXUSKYQSP-UHFFFAOYSA-N	1	1	391.906	4.167	20	30		GIEDMO
N#CC1(c2ccc(N3CCC[C@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)nc2)CCC1	ZINC001164996330	722199871	/nfs/dbraw/zinc/19/98/71/722199871.db2.gz	UBXFHDVHAYJKCT-DEOSSOPVSA-N	1	1	390.506	4.411	20	30		GIEDMO
N#Cc1cc2c(nc1N1CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C1)CCCC2	ZINC001164996350	722207927	/nfs/dbraw/zinc/20/79/27/722207927.db2.gz	UFPLTZJTYRFYJE-XMMPIXPASA-N	1	1	390.506	4.216	20	30		GIEDMO
N#Cc1c2c(cnc1N1CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C1)CCCC2	ZINC001164996969	722213528	/nfs/dbraw/zinc/21/35/28/722213528.db2.gz	PNVOHBSEBPGCEH-DEOSSOPVSA-N	1	1	390.506	4.216	20	30		GIEDMO
C[C@H]([NH2+]C1(CN[C@@H]2CCc3ccc(C#N)cc32)CCOCC1)c1ccccc1	ZINC000570487973	823045105	/nfs/dbraw/zinc/04/51/05/823045105.db2.gz	FKVKAGYSJXIUMC-FDDCHVKYSA-N	1	1	375.516	4.035	20	30		GIEDMO
C=C(C)Cn1c(Cc2ccccc2F)nnc1N1CCC(C[N@H+](C)C(C)C)CC1	ZINC000570585683	823057886	/nfs/dbraw/zinc/05/78/86/823057886.db2.gz	KBVXHKYKSCMYEX-UHFFFAOYSA-N	1	1	399.558	4.141	20	30		GIEDMO
C[C@@H](c1ccc(NC(=O)N[C@@H](CCC#N)c2ccccc2)cc1)[NH+]1CCOCC1	ZINC000120808572	823068371	/nfs/dbraw/zinc/06/83/71/823068371.db2.gz	DODNBWHTBGWJIX-AVRDEDQJSA-N	1	1	392.503	4.246	20	30		GIEDMO
COc1ccc([C@H]([NH2+][C@@H](C)C(=O)Nc2ccccc2C#N)c2ccccc2)cc1	ZINC000055941506	823068933	/nfs/dbraw/zinc/06/89/33/823068933.db2.gz	AMZUNHRAEJXIRA-GAJHUEQPSA-N	1	1	385.467	4.273	20	30		GIEDMO
COc1ccc([C@@H]([NH2+][C@H](C)C(=O)Nc2ccccc2C#N)c2ccccc2)cc1	ZINC000055941505	823068952	/nfs/dbraw/zinc/06/89/52/823068952.db2.gz	AMZUNHRAEJXIRA-HXOBKFHXSA-N	1	1	385.467	4.273	20	30		GIEDMO
CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)N[C@@H](CCCC#N)c2ccccc2)C1	ZINC000458797850	823087110	/nfs/dbraw/zinc/08/71/10/823087110.db2.gz	HBRQTFWHZNLVKY-UXHICEINSA-N	1	1	379.508	4.227	20	30		GIEDMO
C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1	ZINC000120923275	823087303	/nfs/dbraw/zinc/08/73/03/823087303.db2.gz	PBVBMCTZXLFRGC-QRWLVFNGSA-N	1	1	397.906	4.416	20	30		GIEDMO
N#CCCC[C@@H](NC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)c1ccccc1	ZINC000458803291	823088455	/nfs/dbraw/zinc/08/84/55/823088455.db2.gz	QXMXUIRZGGBEAH-HSZRJFAPSA-N	1	1	390.531	4.339	20	30		GIEDMO
CC(C)(C)Oc1ccc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1	ZINC000176002037	823092549	/nfs/dbraw/zinc/09/25/49/823092549.db2.gz	MFWWVXPIFIGTKR-UHFFFAOYSA-N	1	1	391.515	4.084	20	30		GIEDMO
CC(C)(C)Oc1ccc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1	ZINC000176002037	823092558	/nfs/dbraw/zinc/09/25/58/823092558.db2.gz	MFWWVXPIFIGTKR-UHFFFAOYSA-N	1	1	391.515	4.084	20	30		GIEDMO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3[nH]c4ccccc4c3Cl)CC2)cc1	ZINC000056291455	823122309	/nfs/dbraw/zinc/12/23/09/823122309.db2.gz	IMMLIMUWELJYOS-UHFFFAOYSA-N	1	1	392.890	4.041	20	30		GIEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3[nH]c4ccccc4c3Cl)CC2)cc1	ZINC000056291455	823122313	/nfs/dbraw/zinc/12/23/13/823122313.db2.gz	IMMLIMUWELJYOS-UHFFFAOYSA-N	1	1	392.890	4.041	20	30		GIEDMO
C=CCC[C@H](C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccccc1	ZINC000187739192	823122992	/nfs/dbraw/zinc/12/29/92/823122992.db2.gz	BAEUXSCCJUIZCV-RPWUZVMVSA-N	1	1	392.543	4.010	20	30		GIEDMO
N#CCCC1CC[NH+](Cc2nc(-c3cc(Br)cs3)no2)CC1	ZINC000571043486	823124640	/nfs/dbraw/zinc/12/46/40/823124640.db2.gz	GIKHCJHCUAUJFL-UHFFFAOYSA-N	1	1	381.299	4.076	20	30		GIEDMO
C=C(C)[C@@H]([NH2+]Cc1cc(=O)n2cc(Cl)ccc2n1)c1ccc(F)c(F)c1	ZINC000187759853	823127218	/nfs/dbraw/zinc/12/72/18/823127218.db2.gz	REHWQXKLUHBRNV-LJQANCHMSA-N	1	1	375.806	4.033	20	30		GIEDMO
C=CCC1(CNC(=O)N2CC[C@H](C[N@H+](C)Cc3scnc3C)C2)CCCC1	ZINC000459094589	823127457	/nfs/dbraw/zinc/12/74/57/823127457.db2.gz	HJGYJRQWDMQRLV-GOSISDBHSA-N	1	1	390.597	4.051	20	30		GIEDMO
C=CCC1(CNC(=O)N2CCC[C@@H]([N@@H+](C)Cc3ccccn3)CC2)CCCC1	ZINC000459105046	823128755	/nfs/dbraw/zinc/12/87/55/823128755.db2.gz	OSQHXHPYFDIZOD-OAQYLSRUSA-N	1	1	384.568	4.214	20	30		GIEDMO
C=C(C)[C@@H]([NH2+]CC(=O)Nc1sc(C)c(C)c1C#N)c1ccc(F)c(F)c1	ZINC000187789988	823133543	/nfs/dbraw/zinc/13/35/43/823133543.db2.gz	FZPCKAKGUHFNQA-GOSISDBHSA-N	1	1	375.444	4.360	20	30		GIEDMO
C[N@H+]1CCC[C@H](CNC[C@@H](C#N)CCC#N)[C@H]1c1ccc(C(F)(F)F)cc1	ZINC000571599369	823205895	/nfs/dbraw/zinc/20/58/95/823205895.db2.gz	XNVSVNIRVHLFFQ-SZVBFZGTSA-N	1	1	378.442	4.121	20	30		GIEDMO
C[C@@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(c2nc3c(s2)CCCC3)CC1	ZINC000571791569	823234713	/nfs/dbraw/zinc/23/47/13/823234713.db2.gz	CWGWPWGLIKCEJB-HNNXBMFYSA-N	1	1	394.544	4.100	20	30		GIEDMO
Cn1cccc1[C@@H]1CCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2	ZINC000007855230	817939924	/nfs/dbraw/zinc/93/99/24/817939924.db2.gz	GBDYLBXEXPGUQA-SFHVURJKSA-N	1	1	382.533	4.003	20	30		GIEDMO
Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+](C)C2CCCCC2)c1C#N	ZINC000008142387	818006783	/nfs/dbraw/zinc/00/67/83/818006783.db2.gz	MSTRPBCPHGOHDH-UHFFFAOYSA-N	1	1	378.520	4.228	20	30		GIEDMO
Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+](C)Cc2ccc(F)cc2)c1C#N	ZINC000012817838	818184011	/nfs/dbraw/zinc/18/40/11/818184011.db2.gz	HUVZLOKEPZVNIN-UHFFFAOYSA-N	1	1	382.483	4.301	20	30		GIEDMO
Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+](C)Cc2ccc(F)cc2)c1C#N	ZINC000012817838	818184018	/nfs/dbraw/zinc/18/40/18/818184018.db2.gz	HUVZLOKEPZVNIN-UHFFFAOYSA-N	1	1	382.483	4.301	20	30		GIEDMO
C=C(C)C[N@@H+](CC)CC(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1	ZINC000016338874	818426127	/nfs/dbraw/zinc/42/61/27/818426127.db2.gz	YNXUETWGDARLQM-SFHVURJKSA-N	1	1	379.504	4.014	20	30		GIEDMO
C=C(C)C[N@H+](CC)CC(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1	ZINC000016338874	818426135	/nfs/dbraw/zinc/42/61/35/818426135.db2.gz	YNXUETWGDARLQM-SFHVURJKSA-N	1	1	379.504	4.014	20	30		GIEDMO
Cn1cc(Br)cc1C[N@H+](C)Cc1ccc(C#N)cc1C(F)(F)F	ZINC000572450068	823341701	/nfs/dbraw/zinc/34/17/01/823341701.db2.gz	QBQKFOKCLCXSBS-UHFFFAOYSA-N	1	1	386.215	4.310	20	30		GIEDMO
Cn1cc(Br)cc1C[N@@H+](C)Cc1ccc(C#N)cc1C(F)(F)F	ZINC000572450068	823341708	/nfs/dbraw/zinc/34/17/08/823341708.db2.gz	QBQKFOKCLCXSBS-UHFFFAOYSA-N	1	1	386.215	4.310	20	30		GIEDMO
Cc1cc(C)cc(NC(=S)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1	ZINC000017517669	818518100	/nfs/dbraw/zinc/51/81/00/818518100.db2.gz	ZZIPVDMHEFHSOS-UHFFFAOYSA-N	1	1	378.545	4.080	20	30		GIEDMO
Cc1ccc(NC(=S)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c(C)c1	ZINC000017517663	818518129	/nfs/dbraw/zinc/51/81/29/818518129.db2.gz	VWSYPDAGHFIUNG-UHFFFAOYSA-N	1	1	378.545	4.080	20	30		GIEDMO
Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2C[C@H](C)C[C@@H]2c2cccnc2)c1	ZINC000460356170	823362604	/nfs/dbraw/zinc/36/26/04/823362604.db2.gz	AGHDKVNHXWSANO-DENIHFKCSA-N	1	1	376.504	4.028	20	30		GIEDMO
Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2C[C@H](C)C[C@@H]2c2cccnc2)c1	ZINC000460356170	823362609	/nfs/dbraw/zinc/36/26/09/823362609.db2.gz	AGHDKVNHXWSANO-DENIHFKCSA-N	1	1	376.504	4.028	20	30		GIEDMO
N#Cc1ccc(F)c(CN2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)c1	ZINC000022134657	818775114	/nfs/dbraw/zinc/77/51/14/818775114.db2.gz	KEZSBEISZIMSBW-UHFFFAOYSA-N	1	1	377.385	4.034	20	30		GIEDMO
Clc1ccc(C#CC[NH+]2CCC(c3nc(-c4ccccn4)no3)CC2)cc1	ZINC000177101565	823371298	/nfs/dbraw/zinc/37/12/98/823371298.db2.gz	LMBQQPWJBSYZDL-UHFFFAOYSA-N	1	1	378.863	4.016	20	30		GIEDMO
C=C(C)Cn1c(Cc2ccccc2C)nnc1N(C)[C@H]1CC[N@H+](CC)[C@@H](C)C1	ZINC000460555818	823431115	/nfs/dbraw/zinc/43/11/15/823431115.db2.gz	ROEQUEGVWOJOFC-FPOVZHCZSA-N	1	1	381.568	4.062	20	30		GIEDMO
CC[C@H](C)c1nnc(N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)n1CC(C)C	ZINC000460580074	823442928	/nfs/dbraw/zinc/44/29/28/823442928.db2.gz	VINPJHRJLOCCLB-IBGZPJMESA-N	1	1	394.567	4.032	20	30		GIEDMO
C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@H+](C)Cc1cccc(C#N)c1	ZINC000026324777	820083460	/nfs/dbraw/zinc/08/34/60/820083460.db2.gz	ZGAZLFSEFMAFKV-LJQANCHMSA-N	1	1	383.495	4.284	20	30		GIEDMO
C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@@H+](C)Cc1cccc(C#N)c1	ZINC000026324777	820083471	/nfs/dbraw/zinc/08/34/71/820083471.db2.gz	ZGAZLFSEFMAFKV-LJQANCHMSA-N	1	1	383.495	4.284	20	30		GIEDMO
O=C(C[N@H+]1CCC[C@H]1c1ccccc1)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000028173035	820315220	/nfs/dbraw/zinc/31/52/20/820315220.db2.gz	LRPQTSQLEOOVON-FQEVSTJZSA-N	1	1	386.417	4.010	20	30		GIEDMO
CCn1c2ccc(C)cc2[nH+]c1NCc1ccc(OC)c(OCCCC#N)c1	ZINC000460668464	823472210	/nfs/dbraw/zinc/47/22/10/823472210.db2.gz	BDQHZMQLPBYBPA-UHFFFAOYSA-N	1	1	378.476	4.090	20	30		GIEDMO
CCn1c2ccc(C)cc2[nH+]c1NCc1cn(CCC#N)nc1-c1ccccc1	ZINC000460681702	823477263	/nfs/dbraw/zinc/47/72/63/823477263.db2.gz	XRTWDEFRTPOGRH-UHFFFAOYSA-N	1	1	384.487	4.176	20	30		GIEDMO
C[N@@H+](CCCOc1ccc(F)cc1)CCC(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000030268716	820592499	/nfs/dbraw/zinc/59/24/99/820592499.db2.gz	MZWVLIBQWDYGAF-UHFFFAOYSA-N	1	1	389.858	4.080	20	30		GIEDMO
C=C(C)Cn1c(COc2ccc(C)cc2)nnc1N(C)[C@@H]1CC[N@H+](CC)[C@H](C)C1	ZINC000460786564	823512258	/nfs/dbraw/zinc/51/22/58/823512258.db2.gz	KIMFOYXSBJZIJN-WOJBJXKFSA-N	1	1	397.567	4.051	20	30		GIEDMO
C=CCOc1ccc(C[NH+]2CCC(O)(c3c(F)cccc3F)CC2)cc1OC	ZINC000190025304	823527740	/nfs/dbraw/zinc/52/77/40/823527740.db2.gz	OIQZLMDICCJNEY-UHFFFAOYSA-N	1	1	389.442	4.022	20	30		GIEDMO
CC[N@H+](CC(=O)Nc1ccccc1Br)[C@@H](C)c1ccc(C#N)cc1	ZINC000042741806	821329186	/nfs/dbraw/zinc/32/91/86/821329186.db2.gz	AIHMVFJYXFLVCL-AWEZNQCLSA-N	1	1	386.293	4.342	20	30		GIEDMO
CC[N@@H+](CC(=O)Nc1ccccc1Br)[C@@H](C)c1ccc(C#N)cc1	ZINC000042741806	821329193	/nfs/dbraw/zinc/32/91/93/821329193.db2.gz	AIHMVFJYXFLVCL-AWEZNQCLSA-N	1	1	386.293	4.342	20	30		GIEDMO
C=CCn1c(-c2cnccn2)nn(C[NH+](CC(C)(C)C)CC(C)(C)C)c1=S	ZINC000180699430	821402368	/nfs/dbraw/zinc/40/23/68/821402368.db2.gz	KQFQOLMQFIROLP-UHFFFAOYSA-N	1	1	388.585	4.409	20	30		GIEDMO
CCCOc1ccccc1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000043452501	821409460	/nfs/dbraw/zinc/40/94/60/821409460.db2.gz	GKJBKBNGXAMYOO-UHFFFAOYSA-N	1	1	392.503	4.087	20	30		GIEDMO
CCCOc1ccccc1NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000043452501	821409465	/nfs/dbraw/zinc/40/94/65/821409465.db2.gz	GKJBKBNGXAMYOO-UHFFFAOYSA-N	1	1	392.503	4.087	20	30		GIEDMO
Cc1ccc(-c2nc(CN3CCC[N@@H+](Cc4ccc(C#N)cc4)CC3)co2)cc1	ZINC000043612003	821430996	/nfs/dbraw/zinc/43/09/96/821430996.db2.gz	DFPWQIUELJDQMT-UHFFFAOYSA-N	1	1	386.499	4.230	20	30		GIEDMO
CC(C)[N@@H+]1CC[C@H](NC(=O)Cc2ccc(C#N)cc2)[C@@H]1c1ccc(Cl)c(F)c1	ZINC000180752715	821434767	/nfs/dbraw/zinc/43/47/67/821434767.db2.gz	ROTZWMRMOIYQNI-UNMCSNQZSA-N	1	1	399.897	4.233	20	30		GIEDMO
CC(C)[N@H+]1CC[C@H](NC(=O)Cc2ccc(C#N)cc2)[C@@H]1c1ccc(Cl)c(F)c1	ZINC000180752715	821434771	/nfs/dbraw/zinc/43/47/71/821434771.db2.gz	ROTZWMRMOIYQNI-UNMCSNQZSA-N	1	1	399.897	4.233	20	30		GIEDMO
C[N@H+](CC(=O)N(CCC#N)c1ccccc1)Cc1ccccc1C(F)(F)F	ZINC000043643369	821435326	/nfs/dbraw/zinc/43/53/26/821435326.db2.gz	SHOIREHGMXSRPA-UHFFFAOYSA-N	1	1	375.394	4.084	20	30		GIEDMO
C[N@@H+](CC(=O)N(CCC#N)c1ccccc1)Cc1ccccc1C(F)(F)F	ZINC000043643369	821435329	/nfs/dbraw/zinc/43/53/29/821435329.db2.gz	SHOIREHGMXSRPA-UHFFFAOYSA-N	1	1	375.394	4.084	20	30		GIEDMO
N#CCCCOc1cccc(C[N@@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)c1	ZINC000180798037	821464195	/nfs/dbraw/zinc/46/41/95/821464195.db2.gz	HNRNQFKXIOWRPC-QGZVFWFLSA-N	1	1	392.425	4.422	20	30		GIEDMO
C[C@@H]([NH2+]Cc1ccc(C#N)cc1Br)c1cccc(N2CCCC2=O)c1	ZINC000181228344	821707347	/nfs/dbraw/zinc/70/73/47/821707347.db2.gz	LGPFUYKBEWJCEB-CQSZACIVSA-N	1	1	398.304	4.298	20	30		GIEDMO
CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@@H]1c1ccc(Cl)c(F)c1	ZINC000181273938	821727636	/nfs/dbraw/zinc/72/76/36/821727636.db2.gz	QLXJZXDXMSWHGR-MSOLQXFVSA-N	1	1	388.874	4.023	20	30		GIEDMO
CC(C)(C)[N@H+]1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@@H]1c1ccc(Cl)c(F)c1	ZINC000181273938	821727640	/nfs/dbraw/zinc/72/76/40/821727640.db2.gz	QLXJZXDXMSWHGR-MSOLQXFVSA-N	1	1	388.874	4.023	20	30		GIEDMO
CCN(CC)[C@@H](C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1ccccc1	ZINC000181388357	821799781	/nfs/dbraw/zinc/79/97/81/821799781.db2.gz	USFCNTBSNCECOP-VWLOTQADSA-N	1	1	390.575	4.195	20	30		GIEDMO
C=CCSc1ccccc1NC(=O)C[NH2+][C@@H](COC)c1ccc(F)c(F)c1	ZINC000181410818	821811266	/nfs/dbraw/zinc/81/12/66/821811266.db2.gz	NHPRYQGNDBXNRS-SFHVURJKSA-N	1	1	392.471	4.159	20	30		GIEDMO
CC(C)COC[C@@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1ccco1	ZINC000181644121	821919800	/nfs/dbraw/zinc/91/98/00/821919800.db2.gz	MYAMROSLKVQHRE-JOCHJYFZSA-N	1	1	381.520	4.119	20	30		GIEDMO
C[C@@H](NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1)c1ccc(OCC#N)cc1	ZINC000181783945	821990806	/nfs/dbraw/zinc/99/08/06/821990806.db2.gz	MJHUAPVDEMQVMS-UXHICEINSA-N	1	1	393.531	4.140	20	30		GIEDMO
C[C@H]([NH2+][C@@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1)c1ccc(C#N)cc1	ZINC000181836556	822012059	/nfs/dbraw/zinc/01/20/59/822012059.db2.gz	NIGZRJBKLGFDAJ-SBUREZEXSA-N	1	1	390.508	4.402	20	30		GIEDMO
CC(C)(C)[N@@H+]1CC[C@H](NC(=O)NCCCCC#N)[C@@H]1c1ccc(Cl)c(F)c1	ZINC000182513592	822277160	/nfs/dbraw/zinc/27/71/60/822277160.db2.gz	GBLSKZUUCGMDHD-ROUUACIJSA-N	1	1	394.922	4.386	20	30		GIEDMO
CC(C)(C)[N@H+]1CC[C@H](NC(=O)NCCCCC#N)[C@@H]1c1ccc(Cl)c(F)c1	ZINC000182513592	822277165	/nfs/dbraw/zinc/27/71/65/822277165.db2.gz	GBLSKZUUCGMDHD-ROUUACIJSA-N	1	1	394.922	4.386	20	30		GIEDMO
Cc1c(C#N)cccc1NC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1	ZINC000178558185	822391713	/nfs/dbraw/zinc/39/17/13/822391713.db2.gz	BWHHSULNWOPORW-UTKZUKDTSA-N	1	1	376.504	4.384	20	30		GIEDMO
Cc1cccc(C(C)C)c1NC(=O)C[N@@H+]1CCCN(c2ccccc2C#N)CC1	ZINC000046086819	822440566	/nfs/dbraw/zinc/44/05/66/822440566.db2.gz	GTCVOPYOMWNPGK-UHFFFAOYSA-N	1	1	390.531	4.141	20	30		GIEDMO
Cc1cccc(C(C)C)c1NC(=O)C[N@H+]1CCCN(c2ccccc2C#N)CC1	ZINC000046086819	822440570	/nfs/dbraw/zinc/44/05/70/822440570.db2.gz	GTCVOPYOMWNPGK-UHFFFAOYSA-N	1	1	390.531	4.141	20	30		GIEDMO
C[N@H+]1CC[C@H](CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C1	ZINC000454480018	822482081	/nfs/dbraw/zinc/48/20/81/822482081.db2.gz	GPEKUOMBCZFDOL-DNVCBOLYSA-N	1	1	382.895	4.069	20	30		GIEDMO
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1	ZINC000454684794	822516903	/nfs/dbraw/zinc/51/69/03/822516903.db2.gz	CMAHFMFOWSHDGP-HDICACEKSA-N	1	1	392.503	4.002	20	30		GIEDMO
N#Cc1ccsc1NC(=O)C[NH2+][C@H](Cc1ccccc1)c1ccccc1F	ZINC000179810854	822557528	/nfs/dbraw/zinc/55/75/28/822557528.db2.gz	VJCKRDAELXIXOV-LJQANCHMSA-N	1	1	379.460	4.271	20	30		GIEDMO
CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NCc2ccc(-c3ccccc3C#N)cc2)C1	ZINC000179878775	822570252	/nfs/dbraw/zinc/57/02/52/822570252.db2.gz	BWMMHXJKRRWZBT-FQEVSTJZSA-N	1	1	390.531	4.099	20	30		GIEDMO
Cn1cc(C[N@H+](Cc2cccs2)C[C@@H]2CCCO2)c(-c2ccc(C#N)cc2)n1	ZINC000179889384	822572038	/nfs/dbraw/zinc/57/20/38/822572038.db2.gz	XWLUGOWGLRNMKA-FQEVSTJZSA-N	1	1	392.528	4.201	20	30		GIEDMO
COc1cccc(F)c1[C@H](C)[NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1	ZINC000179917344	822576683	/nfs/dbraw/zinc/57/66/83/822576683.db2.gz	QQHMDLWRROESOU-AWEZNQCLSA-N	1	1	389.858	4.085	20	30		GIEDMO
C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)C1	ZINC000180001465	822593532	/nfs/dbraw/zinc/59/35/32/822593532.db2.gz	NNHZPWHNZSIYFI-PZJWPPBQSA-N	1	1	391.563	4.045	20	30		GIEDMO
Cn1cc(C[NH2+]Cc2ccc(F)cc2Br)c(-c2ccc(C#N)cc2)n1	ZINC000180111636	822617674	/nfs/dbraw/zinc/61/76/74/822617674.db2.gz	JTCMPTILFGGARP-UHFFFAOYSA-N	1	1	399.267	4.150	20	30		GIEDMO
C[C@@H](c1ccccc1)[NH+]1CCC(NCc2cn(C)nc2-c2ccc(C#N)cc2)CC1	ZINC000180222578	822642488	/nfs/dbraw/zinc/64/24/88/822642488.db2.gz	XNGSZLJOKVIJGZ-IBGZPJMESA-N	1	1	399.542	4.274	20	30		GIEDMO
C[C@H]1C[C@H](NCc2cn(C)nc2-c2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1	ZINC000180282194	822654709	/nfs/dbraw/zinc/65/47/09/822654709.db2.gz	JCOWUPYXUZPEIU-YADARESESA-N	1	1	399.542	4.101	20	30		GIEDMO
C[C@H]1C[C@H](NCc2cn(C)nc2-c2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1	ZINC000180282194	822654710	/nfs/dbraw/zinc/65/47/10/822654710.db2.gz	JCOWUPYXUZPEIU-YADARESESA-N	1	1	399.542	4.101	20	30		GIEDMO
CCc1nc([C@@H](C)[NH2+]CCC(=O)Nc2sc3c(c2C#N)CCCC3)cs1	ZINC000184683796	822676283	/nfs/dbraw/zinc/67/62/83/822676283.db2.gz	LKTGOWVBPFRTLB-GFCCVEGCSA-N	1	1	388.562	4.197	20	30		GIEDMO
C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2ccc(C3(C#N)CC3)cc2)CC1	ZINC000180541181	822698931	/nfs/dbraw/zinc/69/89/31/822698931.db2.gz	LDLAYTUFJBHSBU-IBGZPJMESA-N	1	1	379.548	4.358	20	30		GIEDMO
N#CCc1ccc(NC(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c(Cl)c1	ZINC000455698788	822705604	/nfs/dbraw/zinc/70/56/04/822705604.db2.gz	GMBDTDRRGJLPFS-IBGZPJMESA-N	1	1	396.922	4.092	20	30		GIEDMO
C[C@@H]1[C@H](NC(=O)Nc2ccc(CC#N)cc2Cl)CC[N@H+]1Cc1ccccc1	ZINC000455733659	822716597	/nfs/dbraw/zinc/71/65/97/822716597.db2.gz	NVOLVZVCTSISBO-DNVCBOLYSA-N	1	1	382.895	4.191	20	30		GIEDMO
CCN(C(=O)Nc1cccc(CC#N)c1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1	ZINC000455917959	822749225	/nfs/dbraw/zinc/74/92/25/822749225.db2.gz	KOVUMJPNKFBLAQ-PGRDOPGGSA-N	1	1	376.504	4.442	20	30		GIEDMO
C[C@H]1C[C@H](N(C)C(=O)Nc2cccc(CC#N)c2)CC[N@H+]1Cc1ccccc1	ZINC000455921433	822749902	/nfs/dbraw/zinc/74/99/02/822749902.db2.gz	OTJLIZXCUVGFRC-PGRDOPGGSA-N	1	1	376.504	4.269	20	30		GIEDMO
C[C@H]1C[C@@H](N(C)C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)CC[N@H+]1C	ZINC000174494087	822796594	/nfs/dbraw/zinc/79/65/94/822796594.db2.gz	CYWXVTWFKMPSDF-YJBOKZPZSA-N	1	1	396.466	4.436	20	30		GIEDMO
O=C(C[N@@H+]1CCC[C@H]1c1ccsc1)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000052803921	822811068	/nfs/dbraw/zinc/81/10/68/822811068.db2.gz	JWBDYJPNOKHOBP-SFHVURJKSA-N	1	1	392.446	4.072	20	30		GIEDMO
O=C(C[N@H+]1CCC[C@H]1c1ccsc1)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000052803921	822811070	/nfs/dbraw/zinc/81/10/70/822811070.db2.gz	JWBDYJPNOKHOBP-SFHVURJKSA-N	1	1	392.446	4.072	20	30		GIEDMO
C[N@H+](CC(=O)Nc1ccc(Sc2ccccc2C#N)cc1)[C@@H]1CCSC1	ZINC000456797941	822832070	/nfs/dbraw/zinc/83/20/70/822832070.db2.gz	ULPMSCOSRIMGGC-QGZVFWFLSA-N	1	1	383.542	4.085	20	30		GIEDMO
C[N@@H+](CC(=O)Nc1ccc(Sc2ccccc2C#N)cc1)[C@@H]1CCSC1	ZINC000456797941	822832073	/nfs/dbraw/zinc/83/20/73/822832073.db2.gz	ULPMSCOSRIMGGC-QGZVFWFLSA-N	1	1	383.542	4.085	20	30		GIEDMO
CC(C)[N@@H+]1[C@@H]2CC[C@H]1CCN(C(=O)Nc1ccccc1SC[C@@H](C)C#N)C2	ZINC000174814994	822841149	/nfs/dbraw/zinc/84/11/49/822841149.db2.gz	NCHJTODDRMNVFK-OKZBNKHCSA-N	1	1	386.565	4.417	20	30		GIEDMO
CC[C@@H](CC#N)[NH2+]Cc1cc(Br)c(OC)c(Br)c1	ZINC000054183653	822866572	/nfs/dbraw/zinc/86/65/72/822866572.db2.gz	NXLRGYNCWAQFCU-JTQLQIEISA-N	1	1	376.092	4.002	20	30		GIEDMO
Cc1cccc(N(CCC#N)C(=O)C[NH2+]C2(c3nccs3)CCCC2)c1C	ZINC000175016225	822867912	/nfs/dbraw/zinc/86/79/12/822867912.db2.gz	FUAJMLRAALPRCL-UHFFFAOYSA-N	1	1	382.533	4.066	20	30		GIEDMO
N#Cc1ccccc1NC(=O)CC[N@H+]1CCC[C@H]1c1nc2ccccc2s1	ZINC000054425370	822883921	/nfs/dbraw/zinc/88/39/21/822883921.db2.gz	KFEZFAZPJYPETH-SFHVURJKSA-N	1	1	376.485	4.334	20	30		GIEDMO
C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](CC(=O)NCc2ccc(F)cc2)C1	ZINC000569337020	822908912	/nfs/dbraw/zinc/90/89/12/822908912.db2.gz	YJCPVXRPZTWDMR-FXAWDEMLSA-N	1	1	379.479	4.177	20	30		GIEDMO
C=CCn1c(-c2ccncc2)nn(C[N@H+]2CC[C@H](c3ccccc3)[C@@H]2C)c1=S	ZINC000175270484	822920669	/nfs/dbraw/zinc/92/06/69/822920669.db2.gz	NRRLJFIYWUFCDL-PXNSSMCTSA-N	1	1	391.544	4.498	20	30		GIEDMO
C=CCn1c(-c2ccncc2)nn(C[N@@H+]2CC[C@H](c3ccccc3)[C@@H]2C)c1=S	ZINC000175270484	822920673	/nfs/dbraw/zinc/92/06/73/822920673.db2.gz	NRRLJFIYWUFCDL-PXNSSMCTSA-N	1	1	391.544	4.498	20	30		GIEDMO
CCc1nc2c(s1)[C@@H]([N@H+](C)[C@@H]1CCCN(c3ccc(C#N)cc3)C1=O)CCC2	ZINC000569897972	822982905	/nfs/dbraw/zinc/98/29/05/822982905.db2.gz	SJFMCFURIQNFMG-RBUKOAKNSA-N	1	1	394.544	4.082	20	30		GIEDMO
CCc1nc2c(s1)[C@@H]([N@@H+](C)[C@@H]1CCCN(c3ccc(C#N)cc3)C1=O)CCC2	ZINC000569897972	822982906	/nfs/dbraw/zinc/98/29/06/822982906.db2.gz	SJFMCFURIQNFMG-RBUKOAKNSA-N	1	1	394.544	4.082	20	30		GIEDMO
N#CCSc1cccc(C(=O)NC[C@H]2CCCC[N@H+]2Cc2ccccc2)c1	ZINC000175697432	823022673	/nfs/dbraw/zinc/02/26/73/823022673.db2.gz	QPVMPBCVCKYEPS-HXUWFJFHSA-N	1	1	379.529	4.087	20	30		GIEDMO
CC1(C)C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)CC[C@H]1C(F)(F)F	ZINC000190176394	823546361	/nfs/dbraw/zinc/54/63/61/823546361.db2.gz	UHXGRMAKKGUXPU-OAHLLOKOSA-N	1	1	399.482	4.347	20	30		GIEDMO
C=C(C)Cn1c(COCC)nnc1N(CC)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1	ZINC000460944285	823547610	/nfs/dbraw/zinc/54/76/10/823547610.db2.gz	QJJOURQJNOXRSB-CTNGQTDRSA-N	1	1	397.567	4.053	20	30		GIEDMO
C=C(C)Cn1c([C@@H](C)CC)nnc1N1CCC[N@@H+](Cc2ccc(F)cc2)CC1	ZINC000460952377	823549484	/nfs/dbraw/zinc/54/94/84/823549484.db2.gz	OPRCLDXULWNKDW-SFHVURJKSA-N	1	1	385.531	4.219	20	30		GIEDMO
Cn1cccc1[C@@H]1CCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC000060659165	823550827	/nfs/dbraw/zinc/55/08/27/823550827.db2.gz	NHRNOEYCDBWLNH-IBGZPJMESA-N	1	1	396.560	4.393	20	30		GIEDMO
CCC[N@@H+](Cc1ccc(C#N)cc1)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C	ZINC000411162137	823553204	/nfs/dbraw/zinc/55/32/04/823553204.db2.gz	CQWKAPBEYIMKQI-INIZCTEOSA-N	1	1	380.448	4.014	20	30		GIEDMO
CCC[N@H+](Cc1ccc(C#N)cc1)C[C@@H](O)CO[C@@H]1CCCc2ccccc21	ZINC000061001757	823572071	/nfs/dbraw/zinc/57/20/71/823572071.db2.gz	ILBLQEGQVPDCOG-ISKFKSNPSA-N	1	1	378.516	4.225	20	30		GIEDMO
CCC[N@@H+](CC(=O)N(C)Cc1c(F)cccc1Cl)Cc1ccc(C#N)cc1	ZINC000061001677	823572192	/nfs/dbraw/zinc/57/21/92/823572192.db2.gz	CJBVTAJUXZAASH-UHFFFAOYSA-N	1	1	387.886	4.221	20	30		GIEDMO
COc1cc(C#N)ccc1C[NH2+][C@@H](C)c1ccc(Br)cc1OC	ZINC000190449162	823575978	/nfs/dbraw/zinc/57/59/78/823575978.db2.gz	PJAKFJMZOUJZSQ-LBPRGKRZSA-N	1	1	375.266	4.189	20	30		GIEDMO
C[C@@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cc(Cl)sc1Cl	ZINC000190606868	823590941	/nfs/dbraw/zinc/59/09/41/823590941.db2.gz	BUVFVSUPZDQMRP-ABAIWWIYSA-N	1	1	394.327	4.378	20	30		GIEDMO
C[C@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cc(Cl)ccc1Cl	ZINC000190609516	823591150	/nfs/dbraw/zinc/59/11/50/823591150.db2.gz	GKUKVITZAZCJIR-ORAYPTAESA-N	1	1	388.298	4.317	20	30		GIEDMO
CSc1ccccc1OC[C@@H](O)C[N@@H+](Cc1ccc(C#N)c(F)c1)C(C)C	ZINC000411985044	823618113	/nfs/dbraw/zinc/61/81/13/823618113.db2.gz	NNHFYOXBFQSTDW-SFHVURJKSA-N	1	1	388.508	4.070	20	30		GIEDMO
CSc1ccccc1OC[C@@H](O)C[N@@H+](Cc1ccc(CC#N)cc1)C(C)C	ZINC000411987701	823618339	/nfs/dbraw/zinc/61/83/39/823618339.db2.gz	RCSNYYFZAXAMBQ-FQEVSTJZSA-N	1	1	384.545	4.125	20	30		GIEDMO
Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CC(C)(C)C[C@@H]2C)c1C#N	ZINC000412026937	823623526	/nfs/dbraw/zinc/62/35/26/823623526.db2.gz	UDACSAZFNKKXIL-HNNXBMFYSA-N	1	1	382.508	4.067	20	30		GIEDMO
C[C@H]1C[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CC[N@H+]1Cc1ccccc1	ZINC000412134378	823629092	/nfs/dbraw/zinc/62/90/92/823629092.db2.gz	SZTCCOHXWUYLEU-UFONIEFXSA-N	1	1	387.527	4.173	20	30		GIEDMO
COc1cccc(C[C@@H]2CCC[N@H+]2CCC(=O)Nc2ccc(C#N)c(Cl)c2)c1	ZINC000063549462	823678919	/nfs/dbraw/zinc/67/89/19/823678919.db2.gz	QJUOAPOYBRDFDP-IBGZPJMESA-N	1	1	397.906	4.256	20	30		GIEDMO
COCC[N@@H+](CCC(=O)Nc1cccc2ccccc21)Cc1ccc(C#N)cc1	ZINC000063753966	823693481	/nfs/dbraw/zinc/69/34/81/823693481.db2.gz	OUABXBRTATVMEF-UHFFFAOYSA-N	1	1	387.483	4.189	20	30		GIEDMO
C[N@@H+](Cc1ccccc1C(C)(C)C#N)[C@@H](CO)c1cccc(Br)c1	ZINC000125825234	823721061	/nfs/dbraw/zinc/72/10/61/823721061.db2.gz	HJHSRFOEVDUIRG-IBGZPJMESA-N	1	1	387.321	4.416	20	30		GIEDMO
C[C@@H](C#N)CSc1ccccc1NC(=O)C[NH+]1CCC(c2ccncc2)CC1	ZINC000191676493	823729870	/nfs/dbraw/zinc/72/98/70/823729870.db2.gz	BRVPTRIUEIDSDK-KRWDZBQOSA-N	1	1	394.544	4.151	20	30		GIEDMO
Cc1ccc(NC(=O)NC[C@@H]2CCC[N@@H+](Cc3ccc(C#N)cc3F)C2)cc1	ZINC000170687568	823939634	/nfs/dbraw/zinc/93/96/34/823939634.db2.gz	OCNABEBNGRBDFW-SFHVURJKSA-N	1	1	380.467	4.040	20	30		GIEDMO
C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1cccc(C#N)c1	ZINC000462407634	823962633	/nfs/dbraw/zinc/96/26/33/823962633.db2.gz	LMXOVLNOFRTNRT-AVRDEDQJSA-N	1	1	375.516	4.079	20	30		GIEDMO
CC(C)(CCC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)c1ccccc1	ZINC000127007361	823999681	/nfs/dbraw/zinc/99/96/81/823999681.db2.gz	TYIDNJZTWORJRF-UHFFFAOYSA-N	1	1	389.543	4.351	20	30		GIEDMO
C=CCC[C@H](O)C[N@@H+](CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)C(C)C	ZINC000127024230	824002240	/nfs/dbraw/zinc/00/22/40/824002240.db2.gz	SMSDEDLQAMLWMK-AWEZNQCLSA-N	1	1	392.849	4.335	20	30		GIEDMO
N#Cc1ccc(C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C2CC2)cc1	ZINC000170914146	824004106	/nfs/dbraw/zinc/00/41/06/824004106.db2.gz	JJNANSLEYBLNEA-UHFFFAOYSA-N	1	1	388.427	4.329	20	30		GIEDMO
C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ncc(CC#N)cc1Cl)CC2	ZINC001164796701	721502294	/nfs/dbraw/zinc/50/22/94/721502294.db2.gz	VRTAAVQOJCVZFH-UHFFFAOYSA-N	1	1	395.938	4.077	20	30		GIEDMO
Cc1cc(Cl)nc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1C#N	ZINC001165025868	721801528	/nfs/dbraw/zinc/80/15/28/721801528.db2.gz	PSTWJNJKZFEXMQ-FFZOFVMBSA-N	1	1	395.938	4.047	20	30		GIEDMO
C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(C#N)c4ccccc4n3)C[C@@H]21	ZINC001165020781	721823454	/nfs/dbraw/zinc/82/34/54/721823454.db2.gz	DTJGDKCUJZAGMV-RVSNTGDXSA-N	1	1	397.526	4.238	20	30		GIEDMO
C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(C#N)c4ccccc4n3)C[C@H]21	ZINC001165020767	721823624	/nfs/dbraw/zinc/82/36/24/721823624.db2.gz	DTJGDKCUJZAGMV-IHLLOCCUSA-N	1	1	397.526	4.238	20	30		GIEDMO
N#CCc1cnc(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)c(Cl)c1	ZINC001164995027	722211368	/nfs/dbraw/zinc/21/13/68/722211368.db2.gz	FNAUHIPRDKYVGX-NRFANRHFSA-N	1	1	384.886	4.185	20	30		GIEDMO
N#CCc1cnc(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)c(Cl)c1	ZINC001164995027	722211369	/nfs/dbraw/zinc/21/13/69/722211369.db2.gz	FNAUHIPRDKYVGX-NRFANRHFSA-N	1	1	384.886	4.185	20	30		GIEDMO
C=CC[N@H+](CCC(=O)N1CCc2sccc2C1)Cc1ccc(Cl)s1	ZINC000055899200	823063579	/nfs/dbraw/zinc/06/35/79/823063579.db2.gz	KSDWABYNJVFTOT-UHFFFAOYSA-N	1	1	380.966	4.426	20	30		GIEDMO
CC[C@@H](C#N)Oc1cc(C[NH2+]Cc2c[nH]c(-c3ccccc3)n2)ccc1OC	ZINC000175994811	823091058	/nfs/dbraw/zinc/09/10/58/823091058.db2.gz	BDJHFNHPPBLBQW-IBGZPJMESA-N	1	1	376.460	4.056	20	30		GIEDMO
CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(F)c(C#N)c1	ZINC000176089311	823117124	/nfs/dbraw/zinc/11/71/24/823117124.db2.gz	FYCBRCSNKJGVQL-GOSISDBHSA-N	1	1	380.467	4.073	20	30		GIEDMO
C=C(C)[C@@H]([NH2+][C@H](C)C(=O)Nc1ccc(OC)cc1OC)c1ccc(F)c(F)c1	ZINC000187770531	823129626	/nfs/dbraw/zinc/12/96/26/823129626.db2.gz	VZICOHBJZOTKPO-ZUOKHONESA-N	1	1	390.430	4.216	20	30		GIEDMO
C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)[C@H]1CC[C@@H](C(F)(F)F)CC1	ZINC000571122071	823135832	/nfs/dbraw/zinc/13/58/32/823135832.db2.gz	XEEXFINOWVHTAM-BETUJISGSA-N	1	1	399.482	4.490	20	30		GIEDMO
COCC[N@H+](Cc1c(C)nc2scc(C3CC3)n12)Cc1ccc(C#N)cc1	ZINC000459311236	823159861	/nfs/dbraw/zinc/15/98/61/823159861.db2.gz	VSAMZACCUGYRAS-UHFFFAOYSA-N	1	1	380.517	4.102	20	30		GIEDMO
COCC[N@@H+](Cc1c(C)nc2scc(C3CC3)n12)Cc1ccc(C#N)cc1	ZINC000459311236	823159869	/nfs/dbraw/zinc/15/98/69/823159869.db2.gz	VSAMZACCUGYRAS-UHFFFAOYSA-N	1	1	380.517	4.102	20	30		GIEDMO
N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1	ZINC000459353695	823169151	/nfs/dbraw/zinc/16/91/51/823169151.db2.gz	UDYSHUUQAHEURQ-HNNXBMFYSA-N	1	1	382.489	4.181	20	30		GIEDMO
N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1	ZINC000459353695	823169154	/nfs/dbraw/zinc/16/91/54/823169154.db2.gz	UDYSHUUQAHEURQ-HNNXBMFYSA-N	1	1	382.489	4.181	20	30		GIEDMO
COc1cc(C#N)ccc1C[N@H+]1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1	ZINC000121357297	823169807	/nfs/dbraw/zinc/16/98/07/823169807.db2.gz	PGQYPUVMDJYWTE-GOSISDBHSA-N	1	1	392.434	4.136	20	30		GIEDMO
C[C@@H]1CC[N@@H+](CCNC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)C1	ZINC000571463258	823186298	/nfs/dbraw/zinc/18/62/98/823186298.db2.gz	QDWLPIJPOLOZEM-OAHLLOKOSA-N	1	1	383.879	4.076	20	30		GIEDMO
COc1ccc(C[C@H]2CCC[N@@H+](CC(=O)Nc3ccc(C#N)c(Cl)c3)C2)cc1	ZINC000571577719	823203334	/nfs/dbraw/zinc/20/33/34/823203334.db2.gz	JGYCWABASYGKTJ-QGZVFWFLSA-N	1	1	397.906	4.113	20	30		GIEDMO
CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1	ZINC000571697358	823220730	/nfs/dbraw/zinc/22/07/30/823220730.db2.gz	XVJXBGOEYBHISC-PBHICJAKSA-N	1	1	381.442	4.094	20	30		GIEDMO
N#CCc1ccc(OC[C@@H](O)C[N@H+]2CC3(CCCC3)[C@H]2c2ccccc2)cc1	ZINC000459566665	823221468	/nfs/dbraw/zinc/22/14/68/823221468.db2.gz	HTGUAWXGLFRFAV-JTHBVZDNSA-N	1	1	376.500	4.110	20	30		GIEDMO
CCN(C(=O)Nc1snc(C)c1C#N)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1	ZINC000459598629	823227552	/nfs/dbraw/zinc/22/75/52/823227552.db2.gz	YYARRHBMFGKTDH-NVXWUHKLSA-N	1	1	383.521	4.013	20	30		GIEDMO
C=CCc1cc(C[N@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)cc(OC)c1O	ZINC000459655754	823241508	/nfs/dbraw/zinc/24/15/08/823241508.db2.gz	VCCCGUAKPGJLFP-SFHVURJKSA-N	1	1	399.453	4.310	20	30		GIEDMO
C=C[C@](C)(CC)C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1	ZINC000188522592	823255898	/nfs/dbraw/zinc/25/58/98/823255898.db2.gz	HLLCAOWUDGXROT-LJQANCHMSA-N	1	1	379.342	4.132	20	30		GIEDMO
C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCC[C@]2(CCSC2)C1	ZINC000571989831	823266272	/nfs/dbraw/zinc/26/62/72/823266272.db2.gz	PETYGFFRJPJFIA-JXFKEZNVSA-N	1	1	389.590	4.096	20	30		GIEDMO
C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCC[C@]2(CCSC2)C1	ZINC000571989831	823266274	/nfs/dbraw/zinc/26/62/74/823266274.db2.gz	PETYGFFRJPJFIA-JXFKEZNVSA-N	1	1	389.590	4.096	20	30		GIEDMO
C=CC[N@@H+](CCc1ccccc1)CC(=O)Nc1ccc(C)cc1Br	ZINC000572067942	823277503	/nfs/dbraw/zinc/27/75/03/823277503.db2.gz	RAMDOJGIVSGRGY-UHFFFAOYSA-N	1	1	387.321	4.427	20	30		GIEDMO
C=CC[N@H+](CCc1ccccc1)CC(=O)Nc1ccc(C)cc1Br	ZINC000572067942	823277508	/nfs/dbraw/zinc/27/75/08/823277508.db2.gz	RAMDOJGIVSGRGY-UHFFFAOYSA-N	1	1	387.321	4.427	20	30		GIEDMO
C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1	ZINC000008261299	818025631	/nfs/dbraw/zinc/02/56/31/818025631.db2.gz	NCRWZVRSAWIOCG-WBVHZDCISA-N	1	1	390.512	4.375	20	30		GIEDMO
C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1	ZINC000008261299	818025641	/nfs/dbraw/zinc/02/56/41/818025641.db2.gz	NCRWZVRSAWIOCG-WBVHZDCISA-N	1	1	390.512	4.375	20	30		GIEDMO
COc1ccc(C[N@H+](C)CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)cc1	ZINC000012807540	818183335	/nfs/dbraw/zinc/18/33/35/818183335.db2.gz	VQUYVVORWIQBDI-UHFFFAOYSA-N	1	1	394.519	4.171	20	30		GIEDMO
COc1ccc(C[N@@H+](C)CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)cc1	ZINC000012807540	818183340	/nfs/dbraw/zinc/18/33/40/818183340.db2.gz	VQUYVVORWIQBDI-UHFFFAOYSA-N	1	1	394.519	4.171	20	30		GIEDMO
C=CCOc1cccc(NC(=O)N(Cc2ccncc2)C[C@H]2CCC[N@@H+]2CC)c1	ZINC000176919445	823324409	/nfs/dbraw/zinc/32/44/09/823324409.db2.gz	GJVXACLDMNLQNB-OAQYLSRUSA-N	1	1	394.519	4.165	20	30		GIEDMO
COc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)cc1	ZINC000015144244	818295564	/nfs/dbraw/zinc/29/55/64/818295564.db2.gz	TVAYVRFYMCDSQB-OAHLLOKOSA-N	1	1	397.544	4.356	20	30		GIEDMO
COc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)cc1	ZINC000015144244	818295570	/nfs/dbraw/zinc/29/55/70/818295570.db2.gz	TVAYVRFYMCDSQB-OAHLLOKOSA-N	1	1	397.544	4.356	20	30		GIEDMO
C=CCc1cc(C[N@@H+]2CCC[C@@H]2c2cc(OC)ccc2OC)c(O)c(OC)c1	ZINC000016874118	818485772	/nfs/dbraw/zinc/48/57/72/818485772.db2.gz	NPHBDLYQHCJVAB-HXUWFJFHSA-N	1	1	383.488	4.484	20	30		GIEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=S)Nc3cccc(Cl)c3)CC2)cc1	ZINC000017517673	818517721	/nfs/dbraw/zinc/51/77/21/818517721.db2.gz	UIMABXZECWMNTH-UHFFFAOYSA-N	1	1	384.936	4.116	20	30		GIEDMO
N#CCCC1CC[NH+](Cc2nnc(-c3ccccc3Br)o2)CC1	ZINC000572517146	823352453	/nfs/dbraw/zinc/35/24/53/823352453.db2.gz	BQZARSUAGIGMLM-UHFFFAOYSA-N	1	1	375.270	4.015	20	30		GIEDMO
CCOCCOc1ccc(Br)cc1C[NH+]1CCC(CCC#N)CC1	ZINC000572524375	823353949	/nfs/dbraw/zinc/35/39/49/823353949.db2.gz	IXRZGRWPIQCLMY-UHFFFAOYSA-N	1	1	395.341	4.380	20	30		GIEDMO
Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2C[C@@H](C)C[C@@H]2c2cccnc2)c1	ZINC000460356172	823362734	/nfs/dbraw/zinc/36/27/34/823362734.db2.gz	AGHDKVNHXWSANO-SIKLNZKXSA-N	1	1	376.504	4.028	20	30		GIEDMO
Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2C[C@@H](C)C[C@@H]2c2cccnc2)c1	ZINC000460356172	823362740	/nfs/dbraw/zinc/36/27/40/823362740.db2.gz	AGHDKVNHXWSANO-SIKLNZKXSA-N	1	1	376.504	4.028	20	30		GIEDMO
Cc1ccc2c(ncc(C#N)c2N2CC[C@@]3(C2)CCC[N@H+](C)C3)c1Br	ZINC000572583749	823365514	/nfs/dbraw/zinc/36/55/14/823365514.db2.gz	ISQQGVCNLUAJCA-FQEVSTJZSA-N	1	1	399.336	4.100	20	30		GIEDMO
N#Cc1ccc(C[N@@H+]2CCCN(Cc3cccc(Br)c3)CC2)cc1	ZINC000022850324	818867203	/nfs/dbraw/zinc/86/72/03/818867203.db2.gz	LHOBJNKKVIFDKM-UHFFFAOYSA-N	1	1	384.321	4.029	20	30		GIEDMO
C=C(C)Cn1c(C(C)C)nnc1N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1	ZINC000460394038	823374511	/nfs/dbraw/zinc/37/45/11/823374511.db2.gz	LMGIRRUOUGPJJV-UHFFFAOYSA-N	1	1	387.959	4.343	20	30		GIEDMO
CCn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1CCC(=O)Nc1sccc1C#N	ZINC000177117932	823375213	/nfs/dbraw/zinc/37/52/13/823375213.db2.gz	BRUJQCJBBMICHJ-SFHVURJKSA-N	1	1	393.516	4.155	20	30		GIEDMO
CCn1c2ccccc2nc1[C@@H]1CCC[N@H+]1CCC(=O)Nc1sccc1C#N	ZINC000177117932	823375216	/nfs/dbraw/zinc/37/52/16/823375216.db2.gz	BRUJQCJBBMICHJ-SFHVURJKSA-N	1	1	393.516	4.155	20	30		GIEDMO
CC(C)[N@@H+](CC(=O)NCCCSc1ccccc1)Cc1ccc(C#N)cc1	ZINC000058397219	823385743	/nfs/dbraw/zinc/38/57/43/823385743.db2.gz	YOERSKWKLYOYCE-UHFFFAOYSA-N	1	1	381.545	4.067	20	30		GIEDMO
C[C@@H]1C[C@@H](NC(=O)c2ccccc2SCc2ccc(C#N)cc2)C[N@H+]1C1CC1	ZINC000177159968	823386877	/nfs/dbraw/zinc/38/68/77/823386877.db2.gz	VKLLNFPLQVRATQ-VQIMIIECSA-N	1	1	391.540	4.206	20	30		GIEDMO
Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)c3cc(C#N)ccc3Cl)C2)s1	ZINC000572888422	823414401	/nfs/dbraw/zinc/41/44/01/823414401.db2.gz	SIOFGNBZYPJATP-INIZCTEOSA-N	1	1	387.936	4.176	20	30		GIEDMO
CC[N@@H+](CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1)[C@H]1CCOC(C)(C)C1	ZINC000572890861	823414916	/nfs/dbraw/zinc/41/49/16/823414916.db2.gz	OHLMEABAGFZZPS-SFHVURJKSA-N	1	1	391.943	4.175	20	30		GIEDMO
C[C@H](NC(=O)C[N@H+](C)Cc1cccc(C#N)c1)c1ccc(Cl)cc1Cl	ZINC000026325320	820083717	/nfs/dbraw/zinc/08/37/17/820083717.db2.gz	RLPPNCIXGNXVPA-ZDUSSCGKSA-N	1	1	376.287	4.174	20	30		GIEDMO
C[C@H](NC(=O)C[N@@H+](C)Cc1cccc(C#N)c1)c1ccc(Cl)cc1Cl	ZINC000026325320	820083729	/nfs/dbraw/zinc/08/37/29/820083729.db2.gz	RLPPNCIXGNXVPA-ZDUSSCGKSA-N	1	1	376.287	4.174	20	30		GIEDMO
C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+](C)Cc1cccc(C#N)c1	ZINC000026328206	820084956	/nfs/dbraw/zinc/08/49/56/820084956.db2.gz	ATLCKWGSXMGNLP-HNNXBMFYSA-N	1	1	392.528	4.219	20	30		GIEDMO
C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+](C)Cc1cccc(C#N)c1	ZINC000026328206	820084967	/nfs/dbraw/zinc/08/49/67/820084967.db2.gz	ATLCKWGSXMGNLP-HNNXBMFYSA-N	1	1	392.528	4.219	20	30		GIEDMO
Cc1oc(NC(=O)[C@H](C)[N@H+](C)Cc2ccc(C(F)(F)F)cc2)c(C#N)c1C	ZINC000026335820	820085660	/nfs/dbraw/zinc/08/56/60/820085660.db2.gz	NALGWGJSSGKIEE-LBPRGKRZSA-N	1	1	379.382	4.246	20	30		GIEDMO
Cc1oc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)c(C#N)c1C	ZINC000026335820	820085670	/nfs/dbraw/zinc/08/56/70/820085670.db2.gz	NALGWGJSSGKIEE-LBPRGKRZSA-N	1	1	379.382	4.246	20	30		GIEDMO
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)C[N@H+]1CCC(C)(C)C1	ZINC000573149297	823455948	/nfs/dbraw/zinc/45/59/48/823455948.db2.gz	KTHYADUHQVWHKX-UHFFFAOYSA-N	1	1	379.479	4.271	20	30		GIEDMO
C[N@H+](CC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)Cc1ccccc1	ZINC000058820533	823458790	/nfs/dbraw/zinc/45/87/90/823458790.db2.gz	FANNHWRDFGCJPO-UHFFFAOYSA-N	1	1	399.494	4.402	20	30		GIEDMO
C[N@@H+](CC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)Cc1ccccc1	ZINC000058820533	823458794	/nfs/dbraw/zinc/45/87/94/823458794.db2.gz	FANNHWRDFGCJPO-UHFFFAOYSA-N	1	1	399.494	4.402	20	30		GIEDMO
CCOc1ccc(N(CCC#N)C(=O)C[N@H+](Cc2cccs2)C2CC2)cc1	ZINC000027109247	820195289	/nfs/dbraw/zinc/19/52/89/820195289.db2.gz	JCWZDRDZZWTERX-UHFFFAOYSA-N	1	1	383.517	4.058	20	30		GIEDMO
CCOc1ccc(N(CCC#N)C(=O)C[N@@H+](Cc2cccs2)C2CC2)cc1	ZINC000027109247	820195293	/nfs/dbraw/zinc/19/52/93/820195293.db2.gz	JCWZDRDZZWTERX-UHFFFAOYSA-N	1	1	383.517	4.058	20	30		GIEDMO
C[C@H](c1ccc(Cl)cc1Cl)[N@@H+](C)C[C@@H](O)COc1ccc(CC#N)cc1	ZINC000028918265	820372814	/nfs/dbraw/zinc/37/28/14/820372814.db2.gz	UXADBAMFBNRSPM-RHSMWYFYSA-N	1	1	393.314	4.492	20	30		GIEDMO
C[C@@H](c1ccc(Cl)cc1Cl)[N@@H+](C)C[C@@H](O)COc1ccc(CC#N)cc1	ZINC000028918266	820373018	/nfs/dbraw/zinc/37/30/18/820373018.db2.gz	UXADBAMFBNRSPM-WMLDXEAASA-N	1	1	393.314	4.492	20	30		GIEDMO
C#CCOc1ccccc1CNc1ccc(C)c(NC(=O)C[NH+]2CCCCC2)c1	ZINC000123531766	823518293	/nfs/dbraw/zinc/51/82/93/823518293.db2.gz	SEVQMEZZRQWOQB-UHFFFAOYSA-N	1	1	391.515	4.044	20	30		GIEDMO
CCOc1cc(C[NH+]2CCC(C#N)CC2)ccc1OCCOc1ccc(F)cc1	ZINC000123741792	823536489	/nfs/dbraw/zinc/53/64/89/823536489.db2.gz	VTAUDHIFDOMWOH-UHFFFAOYSA-N	1	1	398.478	4.418	20	30		GIEDMO
C[C@H]1C[C@H](N(C)C(=O)c2ccc(C3(C#N)CC3)cc2)CC[N@H+]1Cc1ccccc1	ZINC000180964594	821559667	/nfs/dbraw/zinc/55/96/67/821559667.db2.gz	KVJLXFTZYUTDBR-WMZHIEFXSA-N	1	1	387.527	4.367	20	30		GIEDMO
C[C@H]1C[C@@H](N(C)C(=O)c2ccc(C3(C#N)CC3)cc2)CC[N@H+]1Cc1ccccc1	ZINC000180964627	821559677	/nfs/dbraw/zinc/55/96/77/821559677.db2.gz	KVJLXFTZYUTDBR-CVDCTZTESA-N	1	1	387.527	4.367	20	30		GIEDMO
COc1ccc(OC)c([C@H](C)[NH2+]Cc2ccc(C#N)cc2Br)c1	ZINC000181224367	821704912	/nfs/dbraw/zinc/70/49/12/821704912.db2.gz	XUQMVSVLIWFOAB-LBPRGKRZSA-N	1	1	375.266	4.189	20	30		GIEDMO
C=C(C)C[N@@H+](C)[C@H](C)C(=O)Nc1ccc(Br)cc1Br	ZINC000181318013	821756038	/nfs/dbraw/zinc/75/60/38/821756038.db2.gz	OPSZDCHELJONGR-SNVBAGLBSA-N	1	1	390.119	4.047	20	30		GIEDMO
C=C(C)C[N@H+](C)[C@H](C)C(=O)Nc1ccc(Br)cc1Br	ZINC000181318013	821756042	/nfs/dbraw/zinc/75/60/42/821756042.db2.gz	OPSZDCHELJONGR-SNVBAGLBSA-N	1	1	390.119	4.047	20	30		GIEDMO
Cc1csc([C@H]([NH2+]CC(=O)N(CCC#N)c2cc(C)cc(C)c2)C2CC2)n1	ZINC000181611398	821903029	/nfs/dbraw/zinc/90/30/29/821903029.db2.gz	LDAYTSANHLRTPW-HXUWFJFHSA-N	1	1	382.533	4.056	20	30		GIEDMO
N#Cc1ccc(C[NH+]2CCC(N[C@H](c3ccccc3)c3cccnc3)CC2)cc1	ZINC000181680758	821940469	/nfs/dbraw/zinc/94/04/69/821940469.db2.gz	PETZBVRXZXFZFT-RUZDIDTESA-N	1	1	382.511	4.297	20	30		GIEDMO
C[C@H]([NH2+][C@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1)c1ccc(C#N)cc1	ZINC000181836592	822012925	/nfs/dbraw/zinc/01/29/25/822012925.db2.gz	NIGZRJBKLGFDAJ-GAJHUEQPSA-N	1	1	390.508	4.402	20	30		GIEDMO
CCn1c2ccccc2nc1[C@H](C)NC1CC[NH+](Cc2ccc(C#N)cc2)CC1	ZINC000181974931	822049667	/nfs/dbraw/zinc/04/96/67/822049667.db2.gz	DIHPAILRUYZHQY-SFHVURJKSA-N	1	1	387.531	4.243	20	30		GIEDMO
CC[C@@H]([NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2)c1c(C)noc1C	ZINC000182461834	822252444	/nfs/dbraw/zinc/25/24/44/822252444.db2.gz	QTJPWKZFGBABPZ-MRXNPFEDSA-N	1	1	386.521	4.173	20	30		GIEDMO
CC[C@@H](C#N)Oc1cc(C[NH2+][C@@H](COC)c2ccc(F)c(F)c2)ccc1OC	ZINC000183256975	822449172	/nfs/dbraw/zinc/44/91/72/822449172.db2.gz	UPUJLACPAFDBOV-LPHOPBHVSA-N	1	1	390.430	4.132	20	30		GIEDMO
Cc1ccc([C@@H](NC(=O)C[N@@H+](C)Cc2ccc(C#N)cc2)c2cccs2)cc1	ZINC000046527615	822481308	/nfs/dbraw/zinc/48/13/08/822481308.db2.gz	LINHKEOQJOCZCN-HSZRJFAPSA-N	1	1	389.524	4.266	20	30		GIEDMO
Cc1ccc([C@@H](NC(=O)C[N@H+](C)Cc2ccc(C#N)cc2)c2cccs2)cc1	ZINC000046527615	822481309	/nfs/dbraw/zinc/48/13/09/822481309.db2.gz	LINHKEOQJOCZCN-HSZRJFAPSA-N	1	1	389.524	4.266	20	30		GIEDMO
Cc1csc([C@H]([NH2+]CC(=O)N(CCC#N)c2cccc(C)c2C)C2CC2)n1	ZINC000183532597	822490958	/nfs/dbraw/zinc/49/09/58/822490958.db2.gz	YEDFQFBWFKMXPT-HXUWFJFHSA-N	1	1	382.533	4.056	20	30		GIEDMO
C=CCC[C@@H](NC(=O)N1C[C@H]2CC[N@H+](C)[C@H]2C1)c1ccc(C(F)(F)F)cc1	ZINC000454711977	822521980	/nfs/dbraw/zinc/52/19/80/822521980.db2.gz	RHYITCSMRJMNRW-NXHRZFHOSA-N	1	1	381.442	4.058	20	30		GIEDMO
Cc1[nH+]ccn1CCCCNC(=O)NCc1ccc(-c2ccccc2C#N)cc1	ZINC000179685147	822526987	/nfs/dbraw/zinc/52/69/87/822526987.db2.gz	SABJCHJEZCODBD-UHFFFAOYSA-N	1	1	387.487	4.010	20	30		GIEDMO
COc1c(C)c[nH+]c(CN(C)Cc2cn(CCC#N)nc2-c2ccccc2)c1C	ZINC000183782302	822527620	/nfs/dbraw/zinc/52/76/20/822527620.db2.gz	LOLHHCSWSVGFKV-UHFFFAOYSA-N	1	1	389.503	4.116	20	30		GIEDMO
COc1c(C)cnc(C[N@H+](C)Cc2cn(CCC#N)nc2-c2ccccc2)c1C	ZINC000183782302	822527623	/nfs/dbraw/zinc/52/76/23/822527623.db2.gz	LOLHHCSWSVGFKV-UHFFFAOYSA-N	1	1	389.503	4.116	20	30		GIEDMO
COc1c(C)cnc(C[N@@H+](C)Cc2cn(CCC#N)nc2-c2ccccc2)c1C	ZINC000183782302	822527625	/nfs/dbraw/zinc/52/76/25/822527625.db2.gz	LOLHHCSWSVGFKV-UHFFFAOYSA-N	1	1	389.503	4.116	20	30		GIEDMO
C[N@@H+](CCCCNC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)C1CC1	ZINC000454768157	822530373	/nfs/dbraw/zinc/53/03/73/822530373.db2.gz	SCMSMVCHHVLCKW-UHFFFAOYSA-N	1	1	378.476	4.346	20	30		GIEDMO
C[C@H](NC(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1)c1ccc(C#N)cc1	ZINC000047051607	822540493	/nfs/dbraw/zinc/54/04/93/822540493.db2.gz	XYBDBZRUZXCJFG-KRWDZBQOSA-N	1	1	396.922	4.190	20	30		GIEDMO
C[C@H](NC(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1)c1ccc(C#N)cc1	ZINC000047051607	822540496	/nfs/dbraw/zinc/54/04/96/822540496.db2.gz	XYBDBZRUZXCJFG-KRWDZBQOSA-N	1	1	396.922	4.190	20	30		GIEDMO
C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC=C(c2c[nH]c3cc(F)ccc32)CC1	ZINC000047274023	822561017	/nfs/dbraw/zinc/56/10/17/822561017.db2.gz	SSICTTVOUMUGJN-HNNXBMFYSA-N	1	1	388.446	4.295	20	30		GIEDMO
C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC=C(c2c[nH]c3cc(F)ccc32)CC1	ZINC000047274023	822561018	/nfs/dbraw/zinc/56/10/18/822561018.db2.gz	SSICTTVOUMUGJN-HNNXBMFYSA-N	1	1	388.446	4.295	20	30		GIEDMO
CC[N@H+]1CC[C@@H](N(C)C(=O)NCc2ccc(-c3ccccc3C#N)cc2)[C@H](C)C1	ZINC000179872657	822569144	/nfs/dbraw/zinc/56/91/44/822569144.db2.gz	HLJXWZXBYWPRRO-WZONZLPQSA-N	1	1	390.531	4.097	20	30		GIEDMO
CN(C)c1cccc([C@H]2CCC[N@H+]2Cc2cn(C)nc2-c2ccc(C#N)cc2)c1	ZINC000180174789	822632522	/nfs/dbraw/zinc/63/25/22/822632522.db2.gz	HVHYRVQOBSUDIH-HSZRJFAPSA-N	1	1	385.515	4.362	20	30		GIEDMO
CN(C)c1cccc([C@@H]2CCC[N@H+]2Cc2cn(C)nc2-c2ccc(C#N)cc2)c1	ZINC000180174809	822632561	/nfs/dbraw/zinc/63/25/61/822632561.db2.gz	HVHYRVQOBSUDIH-QHCPKHFHSA-N	1	1	385.515	4.362	20	30		GIEDMO
CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1cccc(SCC#N)c1	ZINC000184844292	822698977	/nfs/dbraw/zinc/69/89/77/822698977.db2.gz	SOWRWTKTOMUVNH-OAQYLSRUSA-N	1	1	381.545	4.189	20	30		GIEDMO
C[C@@H]1C[C@H](NC(=O)Nc2ccc(CC#N)cc2Cl)C[N@H+]1Cc1ccccc1	ZINC000455696286	822704836	/nfs/dbraw/zinc/70/48/36/822704836.db2.gz	BZFGPNCUDXYVSB-QAPCUYQASA-N	1	1	382.895	4.191	20	30		GIEDMO
C[C@H](NC(=O)Nc1ccc(CC#N)cc1Cl)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000455696904	822705064	/nfs/dbraw/zinc/70/50/64/822705064.db2.gz	DCEUBNHNSFPMEM-LPHOPBHVSA-N	1	1	396.922	4.438	20	30		GIEDMO
Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)C(C)(C)Cc2ccc(C#N)cc2)cc1	ZINC000455862491	822739135	/nfs/dbraw/zinc/73/91/35/822739135.db2.gz	CXSRWHSUMDYRMY-QGZVFWFLSA-N	1	1	386.499	4.499	20	30		GIEDMO
CC#CCCCC(=O)N1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1	ZINC000185371006	822773552	/nfs/dbraw/zinc/77/35/52/822773552.db2.gz	QNOKVNKZVBASIH-UHFFFAOYSA-N	1	1	380.454	4.322	20	30		GIEDMO
C#CCC(C)(C)C(=O)N1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1	ZINC000185370946	822773598	/nfs/dbraw/zinc/77/35/98/822773598.db2.gz	ZMXVNKUNOUWJQP-UHFFFAOYSA-N	1	1	380.454	4.178	20	30		GIEDMO
C[N@H+]1CCC[C@H](CNC(=O)Nc2ccc(C#N)c(Cl)c2)[C@@H]1c1cccs1	ZINC000174528911	822801636	/nfs/dbraw/zinc/80/16/36/822801636.db2.gz	IDKVAIWFYHELRF-RDTXWAMCSA-N	1	1	388.924	4.478	20	30		GIEDMO
C=CCSc1ccccc1NC(=O)CN[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1	ZINC000185720446	822814162	/nfs/dbraw/zinc/81/41/62/822814162.db2.gz	GTZBUOFMEKBQOA-ZWKOTPCHSA-N	1	1	387.593	4.146	20	30		GIEDMO
CC[N@H+](Cc1csc(-c2ccc(C(N)=O)cc2)n1)[C@H](C)c1ccc(C#N)cc1	ZINC000053610305	822842478	/nfs/dbraw/zinc/84/24/78/822842478.db2.gz	MPMVKKNWXGFZDC-OAHLLOKOSA-N	1	1	390.512	4.364	20	30		GIEDMO
CC[N@@H+](Cc1csc(-c2ccc(C(N)=O)cc2)n1)[C@H](C)c1ccc(C#N)cc1	ZINC000053610305	822842481	/nfs/dbraw/zinc/84/24/81/822842481.db2.gz	MPMVKKNWXGFZDC-OAHLLOKOSA-N	1	1	390.512	4.364	20	30		GIEDMO
Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CC=C(c3ccc(O)cc3)CC2)c1	ZINC000053814983	822849242	/nfs/dbraw/zinc/84/92/42/822849242.db2.gz	AVCQVDILVOKRJG-UHFFFAOYSA-N	1	1	389.499	4.045	20	30		GIEDMO
Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CC=C(c3ccc(O)cc3)CC2)c1	ZINC000053814983	822849246	/nfs/dbraw/zinc/84/92/46/822849246.db2.gz	AVCQVDILVOKRJG-UHFFFAOYSA-N	1	1	389.499	4.045	20	30		GIEDMO
CC(C)[N@H+]1CC[C@H](N(C)C(=O)c2ccccc2SCc2ccc(C#N)cc2)C1	ZINC000457089247	822852225	/nfs/dbraw/zinc/85/22/25/822852225.db2.gz	SRMCDGWNHVBACG-FQEVSTJZSA-N	1	1	393.556	4.405	20	30		GIEDMO
Cc1cccc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1Cl	ZINC000174934836	822857953	/nfs/dbraw/zinc/85/79/53/822857953.db2.gz	CJRILCJRCGJMMG-UHFFFAOYSA-N	1	1	382.895	4.260	20	30		GIEDMO
Cc1cccc(NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1Cl	ZINC000174934836	822857955	/nfs/dbraw/zinc/85/79/55/822857955.db2.gz	CJRILCJRCGJMMG-UHFFFAOYSA-N	1	1	382.895	4.260	20	30		GIEDMO
C[N@@H+](CCCCNC(=O)c1ccc(Sc2ccccc2C#N)cc1)C1CC1	ZINC000457172951	822858931	/nfs/dbraw/zinc/85/89/31/822858931.db2.gz	UUYHZUSGDIIZCY-UHFFFAOYSA-N	1	1	379.529	4.314	20	30		GIEDMO
Cc1cc(C#N)ccc1C[N@H+]1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1	ZINC000186286085	822870688	/nfs/dbraw/zinc/87/06/88/822870688.db2.gz	ANRTXMPXJXLVQT-LJQANCHMSA-N	1	1	376.435	4.435	20	30		GIEDMO
CC(C)[N@@H+](C)CC1CCN(C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)CC1	ZINC000569190942	822890960	/nfs/dbraw/zinc/89/09/60/822890960.db2.gz	SZVWXLSGKYWCDP-UHFFFAOYSA-N	1	1	398.429	4.041	20	30		GIEDMO
COCC[N@H+](CCC(C#N)(c1ccccc1)c1ccccc1)Cc1ccccn1	ZINC000569218515	822893779	/nfs/dbraw/zinc/89/37/79/822893779.db2.gz	BHSALOKXEASOIT-UHFFFAOYSA-N	1	1	385.511	4.430	20	30		GIEDMO
COCC[N@@H+](CCC(C#N)(c1ccccc1)c1ccccc1)Cc1ccccn1	ZINC000569218515	822893782	/nfs/dbraw/zinc/89/37/82/822893782.db2.gz	BHSALOKXEASOIT-UHFFFAOYSA-N	1	1	385.511	4.430	20	30		GIEDMO
C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+](C)Cc1cc2ccccc2o1	ZINC000175182527	822899536	/nfs/dbraw/zinc/89/95/36/822899536.db2.gz	UAQIPJYUDCTEHB-CYBMUJFWSA-N	1	1	379.485	4.314	20	30		GIEDMO
C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+](C)Cc1cc2ccccc2o1	ZINC000175182527	822899540	/nfs/dbraw/zinc/89/95/40/822899540.db2.gz	UAQIPJYUDCTEHB-CYBMUJFWSA-N	1	1	379.485	4.314	20	30		GIEDMO
C[C@@H](C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1ccc(Cl)s1	ZINC000175185086	822900359	/nfs/dbraw/zinc/90/03/59/822900359.db2.gz	TUIMLTIPGNVDAU-OAHLLOKOSA-N	1	1	387.936	4.111	20	30		GIEDMO
C[C@@H](C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)c1ccc(Cl)s1	ZINC000175185086	822900361	/nfs/dbraw/zinc/90/03/61/822900361.db2.gz	TUIMLTIPGNVDAU-OAHLLOKOSA-N	1	1	387.936	4.111	20	30		GIEDMO
CN(CC(C)(C)C#N)C(=O)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1	ZINC000457750710	822914538	/nfs/dbraw/zinc/91/45/38/822914538.db2.gz	UZFFCBXKEWKPCT-LJQANCHMSA-N	1	1	396.560	4.039	20	30		GIEDMO
CN(CC(C)(C)C#N)C(=O)NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1	ZINC000457750710	822914540	/nfs/dbraw/zinc/91/45/40/822914540.db2.gz	UZFFCBXKEWKPCT-LJQANCHMSA-N	1	1	396.560	4.039	20	30		GIEDMO
N#Cc1csc(C[NH2+][C@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)n1	ZINC000569746250	822962337	/nfs/dbraw/zinc/96/23/37/822962337.db2.gz	DZMTVCYVRVOKJG-KRWDZBQOSA-N	1	1	381.423	4.291	20	30		GIEDMO
C[N@H+]1CCC[C@H](CCNC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)C1	ZINC000458168330	822964602	/nfs/dbraw/zinc/96/46/02/822964602.db2.gz	NKZJPMLKTQXNNO-LJQANCHMSA-N	1	1	377.488	4.007	20	30		GIEDMO
C=C(C)[C@@H](Nc1ncnc2c1cnn2-c1cc[nH+]cc1)c1ccc(F)c(F)c1	ZINC000186840112	822965380	/nfs/dbraw/zinc/96/53/80/822965380.db2.gz	VBEGGRRJTYENHZ-GOSISDBHSA-N	1	1	378.386	4.218	20	30		GIEDMO
CCc1nc2c(s1)[C@H]([N@H+](C)[C@@H]1CCCN(c3ccc(C#N)cc3)C1=O)CCC2	ZINC000569897973	822982947	/nfs/dbraw/zinc/98/29/47/822982947.db2.gz	SJFMCFURIQNFMG-RTBURBONSA-N	1	1	394.544	4.082	20	30		GIEDMO
CCc1nc2c(s1)[C@H]([N@@H+](C)[C@@H]1CCCN(c3ccc(C#N)cc3)C1=O)CCC2	ZINC000569897973	822982949	/nfs/dbraw/zinc/98/29/49/822982949.db2.gz	SJFMCFURIQNFMG-RTBURBONSA-N	1	1	394.544	4.082	20	30		GIEDMO
CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)c1ccc(Sc2ccccc2C#N)cc1	ZINC000175684961	823020038	/nfs/dbraw/zinc/02/00/38/823020038.db2.gz	XQWXDHOVQFZSBU-QGZVFWFLSA-N	1	1	379.529	4.123	20	30		GIEDMO
CCC(CC)[N@@H+](CC)CCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1	ZINC000570430973	823037258	/nfs/dbraw/zinc/03/72/58/823037258.db2.gz	RXTWLUNDLHKNMP-UHFFFAOYSA-N	1	1	384.524	4.457	20	30		GIEDMO
C=CCn1c(-c2cc(Cl)ccc2Cl)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C	ZINC000570437928	823038339	/nfs/dbraw/zinc/03/83/39/823038339.db2.gz	IRJGWTHJYFNLAA-ZFWWWQNUSA-N	1	1	392.334	4.111	20	30		GIEDMO
Cc1cc(C)c(NC(=O)[C@@H](C)[N@@H+]2CCCN(c3ccccc3C#N)CC2)c(C)c1	ZINC000123920441	823551671	/nfs/dbraw/zinc/55/16/71/823551671.db2.gz	LBHOEGIMZMJDNX-HXUWFJFHSA-N	1	1	390.531	4.023	20	30		GIEDMO
Cc1cc(C)c(NC(=O)[C@@H](C)[N@H+]2CCCN(c3ccccc3C#N)CC2)c(C)c1	ZINC000123920441	823551674	/nfs/dbraw/zinc/55/16/74/823551674.db2.gz	LBHOEGIMZMJDNX-HXUWFJFHSA-N	1	1	390.531	4.023	20	30		GIEDMO
C=CC[N@H+](Cc1cccc(C#N)c1)[C@H](C)C(=O)N1CCC[C@@H]1c1cccs1	ZINC000411194257	823556174	/nfs/dbraw/zinc/55/61/74/823556174.db2.gz	PTAJJZLQSYDNFB-YLJYHZDGSA-N	1	1	379.529	4.360	20	30		GIEDMO
C=CC[N@@H+](Cc1cccc(C#N)c1)[C@H](C)C(=O)N1CCC[C@@H]1c1cccs1	ZINC000411194257	823556177	/nfs/dbraw/zinc/55/61/77/823556177.db2.gz	PTAJJZLQSYDNFB-YLJYHZDGSA-N	1	1	379.529	4.360	20	30		GIEDMO
C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+](Cc3ccncc3)C3CC3)sc2C1	ZINC000411422017	823572231	/nfs/dbraw/zinc/57/22/31/823572231.db2.gz	SDOPYARXVZSURL-HNNXBMFYSA-N	1	1	394.544	4.133	20	30		GIEDMO
C[C@@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cccc(Cl)c1Cl	ZINC000190620690	823592541	/nfs/dbraw/zinc/59/25/41/823592541.db2.gz	OUWLLLWKCXXVKP-ACJLOTCBSA-N	1	1	388.298	4.317	20	30		GIEDMO
CSc1ccccc1OC[C@@H](O)C[N@@H+](Cc1cccc(C#N)c1F)C(C)C	ZINC000411990370	823618572	/nfs/dbraw/zinc/61/85/72/823618572.db2.gz	VXGRIKCGBKSRLZ-SFHVURJKSA-N	1	1	388.508	4.070	20	30		GIEDMO
COc1cc2c(cc1OC)[C@H](c1cccs1)[N@H+](Cc1cc(C#N)n(C)c1)CC2	ZINC000191180181	823656877	/nfs/dbraw/zinc/65/68/77/823656877.db2.gz	WKVSYRYQOBUDOJ-JOCHJYFZSA-N	1	1	393.512	4.123	20	30		GIEDMO
COc1cc2c(cc1OC)[C@H](c1cccs1)[N@@H+](Cc1cc(C#N)n(C)c1)CC2	ZINC000191180181	823656880	/nfs/dbraw/zinc/65/68/80/823656880.db2.gz	WKVSYRYQOBUDOJ-JOCHJYFZSA-N	1	1	393.512	4.123	20	30		GIEDMO
N#Cc1ccc(N2CC[C@@H]([N@@H+]3Cc4ccccc4[C@H](c4ccccc4)C3)C2=O)cc1	ZINC000063492247	823675921	/nfs/dbraw/zinc/67/59/21/823675921.db2.gz	DSHLPWGNGNOQFN-LOSJGSFVSA-N	1	1	393.490	4.311	20	30		GIEDMO
N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@H]2Cc2cccc(F)c2)cc1Cl	ZINC000063508005	823676892	/nfs/dbraw/zinc/67/68/92/823676892.db2.gz	BHLONBLAMVEUFG-IBGZPJMESA-N	1	1	385.870	4.386	20	30		GIEDMO
CCCNc1ccc(C#N)cc1NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1	ZINC000461698901	823683348	/nfs/dbraw/zinc/68/33/48/823683348.db2.gz	UGRZAXJKXZGNOM-IBGZPJMESA-N	1	1	394.494	4.370	20	30		GIEDMO
CC(C)N(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1	ZINC000063667797	823687873	/nfs/dbraw/zinc/68/78/73/823687873.db2.gz	SMWJWUIPRVBYIG-JOCHJYFZSA-N	1	1	393.506	4.347	20	30		GIEDMO
CC(C)[N@H+](Cc1ccc(C#N)cc1)C[C@@H](O)COc1cccc(C(F)(F)F)c1	ZINC000063750362	823693504	/nfs/dbraw/zinc/69/35/04/823693504.db2.gz	LWLWKKWFOVCMIZ-LJQANCHMSA-N	1	1	392.421	4.227	20	30		GIEDMO
C=C(C)C[C@H](C)C(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1	ZINC000412977929	823696161	/nfs/dbraw/zinc/69/61/61/823696161.db2.gz	XWSLIUGCXSPXIN-HNNXBMFYSA-N	1	1	379.342	4.132	20	30		GIEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NCc3cccc4ccccc43)CC2)cc1	ZINC000063798059	823697800	/nfs/dbraw/zinc/69/78/00/823697800.db2.gz	QQPMGBMDEXGOJR-UHFFFAOYSA-N	1	1	398.510	4.129	20	30		GIEDMO
N#Cc1cnn2cc(C[N@@H+]3CCCC[C@H]3c3ccc(C(F)(F)F)cc3)cnc12	ZINC000574324325	823702915	/nfs/dbraw/zinc/70/29/15/823702915.db2.gz	FPEAHMZEROYQGO-SFHVURJKSA-N	1	1	385.393	4.347	20	30		GIEDMO
C[C@H]([NH2+][C@@H](C)c1cncc(F)c1)C(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC000574416636	823724407	/nfs/dbraw/zinc/72/44/07/823724407.db2.gz	PHNIENUYJJXDMH-STQMWFEESA-N	1	1	386.496	4.101	20	30		GIEDMO
Cn1cc(C[N@H+]2CC[C@@H](C(F)(F)F)C(C)(C)C2)c(-c2ccc(C#N)cc2)n1	ZINC000191662904	823726838	/nfs/dbraw/zinc/72/68/38/823726838.db2.gz	WHIYQYUBBQTPFL-QGZVFWFLSA-N	1	1	376.426	4.369	20	30		GIEDMO
C[C@H](C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C)c1cccc(C#N)c1	ZINC000461908269	823749326	/nfs/dbraw/zinc/74/93/26/823749326.db2.gz	DGUYZUPVWYDGIG-MOPGFXCFSA-N	1	1	375.516	4.353	20	30		GIEDMO
Cc1ccc(N(CCC#N)C(=O)C[NH2+]C2(c3nccs3)CCCC2)cc1C	ZINC000163945866	823763751	/nfs/dbraw/zinc/76/37/51/823763751.db2.gz	HSSNSKXRXCPKTL-UHFFFAOYSA-N	1	1	382.533	4.066	20	30		GIEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3c[nH]c4cc(Cl)ccc43)CC2)cc1	ZINC000064354406	823799695	/nfs/dbraw/zinc/79/96/95/823799695.db2.gz	FXFFZETZJAZYNP-UHFFFAOYSA-N	1	1	392.890	4.041	20	30		GIEDMO
COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccccc1Cl	ZINC000126194891	823809793	/nfs/dbraw/zinc/80/97/93/823809793.db2.gz	QOJOQDNTIDPUEG-JKSUJKDBSA-N	1	1	385.895	4.335	20	30		GIEDMO
CSCC[C@@H](C)[N@@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1	ZINC000126281230	823828681	/nfs/dbraw/zinc/82/86/81/823828681.db2.gz	SUPYPUZYTWNHDS-CQSZACIVSA-N	1	1	376.570	4.104	20	30		GIEDMO
CCc1nc2c(s1)[C@H]([N@@H+](C)Cn1c(C)nnc1-c1cccc(C#N)c1)CCC2	ZINC000126285784	823830127	/nfs/dbraw/zinc/83/01/27/823830127.db2.gz	PIFFWSYYNWQXTA-GOSISDBHSA-N	1	1	392.532	4.111	20	30		GIEDMO
N#Cc1c(NC(=O)CC[N@H+](Cc2cccc(F)c2)C2CC2)sc2c1CCC2	ZINC000165292922	823842694	/nfs/dbraw/zinc/84/26/94/823842694.db2.gz	GOSVFBCJHOTIMO-UHFFFAOYSA-N	1	1	383.492	4.241	20	30		GIEDMO
C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccccc1-c1ccccc1C#N	ZINC000462175789	823854854	/nfs/dbraw/zinc/85/48/54/823854854.db2.gz	AIYOHTHWIFTSCM-KBMIEXCESA-N	1	1	395.506	4.476	20	30		GIEDMO
N#Cc1c(NC(=O)CC[N@@H+]2CCC[C@@H]2c2cccc(F)c2)sc2c1CCC2	ZINC000165627875	823855932	/nfs/dbraw/zinc/85/59/32/823855932.db2.gz	DVNBMLJFILOEFE-GOSISDBHSA-N	1	1	383.492	4.413	20	30		GIEDMO
N#Cc1c(NC(=O)CC[N@@H+]2CCC[C@H]2c2cccc(F)c2)sc2c1CCC2	ZINC000165627751	823855951	/nfs/dbraw/zinc/85/59/51/823855951.db2.gz	DVNBMLJFILOEFE-SFHVURJKSA-N	1	1	383.492	4.413	20	30		GIEDMO
C[C@H](C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)c1cccc(C#N)c1	ZINC000462180553	823857154	/nfs/dbraw/zinc/85/71/54/823857154.db2.gz	MUAXICRNWNCWDE-NBGIEHNGSA-N	1	1	387.527	4.176	20	30		GIEDMO
C[N@H+](Cc1ccccc1)CC1CCN(c2nc3cc(Cl)ccn3c2C#N)CC1	ZINC000574934012	823863553	/nfs/dbraw/zinc/86/35/53/823863553.db2.gz	UGCWMUDEYWJQKC-UHFFFAOYSA-N	1	1	393.922	4.208	20	30		GIEDMO
COc1ccc(C#N)cc1NC(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1	ZINC000064742945	823877772	/nfs/dbraw/zinc/87/77/72/823877772.db2.gz	NUKUZZWXIVLDKE-QGZVFWFLSA-N	1	1	392.503	4.120	20	30		GIEDMO
CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc(C#N)c(Cl)c1	ZINC000575004258	823884449	/nfs/dbraw/zinc/88/44/49/823884449.db2.gz	OWDGBHRRAMEKAD-FQEVSTJZSA-N	1	1	381.907	4.242	20	30		GIEDMO
C[C@H](C(=O)NCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)c1cccc(C#N)c1	ZINC000462232562	823885885	/nfs/dbraw/zinc/88/58/85/823885885.db2.gz	MOJLRPHWVZDAKY-DXIQSLLYSA-N	1	1	375.516	4.079	20	30		GIEDMO
C[C@H](NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)c1ccc(Cl)cc1	ZINC000126578960	823904360	/nfs/dbraw/zinc/90/43/60/823904360.db2.gz	AHGMGCJYYWFBSE-KRWDZBQOSA-N	1	1	396.922	4.190	20	30		GIEDMO
C[C@H](C(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)c1cccc(C#N)c1	ZINC000462279397	823910588	/nfs/dbraw/zinc/91/05/88/823910588.db2.gz	YMXVZXXNIBFFLF-FIKMYACPSA-N	1	1	399.897	4.263	20	30		GIEDMO
C[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1cccc(C#N)c1	ZINC000462407635	823962540	/nfs/dbraw/zinc/96/25/40/823962540.db2.gz	LMXOVLNOFRTNRT-GCJKJVERSA-N	1	1	375.516	4.079	20	30		GIEDMO
N#Cc1cc(Cl)c(Cl)nc1N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21	ZINC001164627247	719078129	/nfs/dbraw/zinc/07/81/29/719078129.db2.gz	QAVHIMBXAOZRCJ-CRAIPNDOSA-N	1	1	387.314	4.361	20	30		GIEDMO
Cc1nc(C[N@H+]2CCCC23CCN(c2ncc(Cl)cc2C#N)CC3)cs1	ZINC001164694024	719812097	/nfs/dbraw/zinc/81/20/97/719812097.db2.gz	ZSHNCTODBRWTAW-UHFFFAOYSA-N	1	1	387.940	4.007	20	30		GIEDMO
N#Cc1ccc(-c2ccc(F)cc2)nc1N1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cccnc1	ZINC001164726123	720339694	/nfs/dbraw/zinc/33/96/94/720339694.db2.gz	PUQHOQRRBAMJCW-PKTZIBPZSA-N	1	1	399.473	4.008	20	30		GIEDMO
N#Cc1cc(N2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)nc2ccc(Cl)cc12	ZINC001164726935	720471797	/nfs/dbraw/zinc/47/17/97/720471797.db2.gz	MZSHKVDKWJONAI-SFTDATJTSA-N	1	1	389.890	4.008	20	30		GIEDMO
COc1ccc([C@H]([NH2+][C@H](C)C(=O)Nc2ccccc2C#N)c2ccccc2)cc1	ZINC000055941507	823068987	/nfs/dbraw/zinc/06/89/87/823068987.db2.gz	AMZUNHRAEJXIRA-UZUQRXQVSA-N	1	1	385.467	4.273	20	30		GIEDMO
C[N@@H+]1CCN(C(=O)N[C@H](CCCC#N)c2ccccc2)[C@@H](c2ccccc2)C1	ZINC000458800601	823087734	/nfs/dbraw/zinc/08/77/34/823087734.db2.gz	LKQUZPQTBOZGOL-FGZHOGPDSA-N	1	1	376.504	4.120	20	30		GIEDMO
C[N@H+]1CCN(C(=O)N[C@H](CCCC#N)c2ccccc2)[C@@H](c2ccccc2)C1	ZINC000458800601	823087743	/nfs/dbraw/zinc/08/77/43/823087743.db2.gz	LKQUZPQTBOZGOL-FGZHOGPDSA-N	1	1	376.504	4.120	20	30		GIEDMO
C[C@H]1C[C@H](NC(=O)c2cccc(SCC#N)c2)CC[N@H+]1Cc1ccccc1	ZINC000176099603	823119945	/nfs/dbraw/zinc/11/99/45/823119945.db2.gz	CVWXFPCTBSWZJW-FXAWDEMLSA-N	1	1	379.529	4.085	20	30		GIEDMO
C=C(C)[C@H]([NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C)c1ccc(F)c(F)c1	ZINC000187754909	823126240	/nfs/dbraw/zinc/12/62/40/823126240.db2.gz	GMFQARAUZWQVLR-IBGZPJMESA-N	1	1	375.375	4.027	20	30		GIEDMO
C=C(C)[C@H]([NH2+]CC(=O)NCc1ccccc1COCC)c1ccc(F)c(F)c1	ZINC000187760362	823127402	/nfs/dbraw/zinc/12/74/02/823127402.db2.gz	WSUUFVZFSFOZNH-QFIPXVFZSA-N	1	1	388.458	4.025	20	30		GIEDMO
C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1ccccc1N1CCO[C@@H](C)C1	ZINC000459552006	823218520	/nfs/dbraw/zinc/21/85/20/823218520.db2.gz	YDTFELVHRGPRQS-FQEVSTJZSA-N	1	1	382.552	4.267	20	30		GIEDMO
C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1ccccc1N1CCO[C@@H](C)C1	ZINC000459552006	823218526	/nfs/dbraw/zinc/21/85/26/823218526.db2.gz	YDTFELVHRGPRQS-FQEVSTJZSA-N	1	1	382.552	4.267	20	30		GIEDMO
C=C[C@@](C)(CC)C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1	ZINC000188522617	823255844	/nfs/dbraw/zinc/25/58/44/823255844.db2.gz	HLLCAOWUDGXROT-IBGZPJMESA-N	1	1	379.342	4.132	20	30		GIEDMO
CC1(C)CCCc2cc(C#N)c(N3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)nc21	ZINC000409635464	823268807	/nfs/dbraw/zinc/26/88/07/823268807.db2.gz	LIIUCKSCPZYYHG-GOSISDBHSA-N	1	1	389.547	4.484	20	30		GIEDMO
N#Cc1ccc(C2(C(=O)N3CC[C@H]4[C@@H](CCC[N@H+]4Cc4ccccc4)C3)CC2)cc1	ZINC000188648490	823279975	/nfs/dbraw/zinc/27/99/75/823279975.db2.gz	FGLPFZDHQRKWIK-UPVQGACJSA-N	1	1	399.538	4.103	20	30		GIEDMO
C[N@@H+](Cc1ccccc1CNC(=O)NCc1cccc(C#N)c1)C1CCCCC1	ZINC000057286438	823276261	/nfs/dbraw/zinc/27/62/61/823276261.db2.gz	XOGCYJCKDGHLHY-UHFFFAOYSA-N	1	1	390.531	4.322	20	30		GIEDMO
C=CC[N@H+](CCC(=O)NC(=O)Nc1ccccc1)Cc1ccc(Cl)s1	ZINC000016341648	818426838	/nfs/dbraw/zinc/42/68/38/818426838.db2.gz	NFXFQQVPWQPDCD-UHFFFAOYSA-N	1	1	377.897	4.128	20	30		GIEDMO
O=C(Nc1ccc(F)cc1)NC1CC[NH+](CC#Cc2ccc(Cl)cc2)CC1	ZINC000177028322	823353451	/nfs/dbraw/zinc/35/34/51/823353451.db2.gz	YMBONIWZQMSTOO-UHFFFAOYSA-N	1	1	385.870	4.117	20	30		GIEDMO
N#Cc1ccsc1NC(=O)CC[N@@H+](Cc1ccc2c(c1)OCO2)C1CCCC1	ZINC000022014975	818763646	/nfs/dbraw/zinc/76/36/46/818763646.db2.gz	DZVWSXFGGAFFBW-UHFFFAOYSA-N	1	1	397.500	4.122	20	30		GIEDMO
C[N@H+](CCCCCc1cc(-c2ccc(F)cc2)n[nH]1)Cc1nc(C#N)cs1	ZINC000572569236	823362695	/nfs/dbraw/zinc/36/26/95/823362695.db2.gz	ZNCXWABHPVEMCJ-UHFFFAOYSA-N	1	1	383.496	4.389	20	30		GIEDMO
C[N@@H+](CCCCCc1cc(-c2ccc(F)cc2)n[nH]1)Cc1nc(C#N)cs1	ZINC000572569236	823362703	/nfs/dbraw/zinc/36/27/03/823362703.db2.gz	ZNCXWABHPVEMCJ-UHFFFAOYSA-N	1	1	383.496	4.389	20	30		GIEDMO
N#Cc1ccc(C[N@@H+]2CCCN(c3cc4ccccc4c(Cl)n3)CC2)cc1	ZINC000022977708	818882697	/nfs/dbraw/zinc/88/26/97/818882697.db2.gz	DEHRKFYVIFQRCX-UHFFFAOYSA-N	1	1	376.891	4.472	20	30		GIEDMO
N#Cc1ccsc1N1CC[C@H]([NH2+][C@H](c2ccccc2)c2cccc(F)c2)C1=O	ZINC000122557320	823372117	/nfs/dbraw/zinc/37/21/17/823372117.db2.gz	VRPOFDVARSMOSA-VQTJNVASSA-N	1	1	391.471	4.243	20	30		GIEDMO
N#Cc1ccc(C[N@H+](Cc2ccc(-n3ccnc3)nc2)Cc2cccc(F)c2)cc1	ZINC000177263743	823413991	/nfs/dbraw/zinc/41/39/91/823413991.db2.gz	SVWBCEZDAZUHTM-UHFFFAOYSA-N	1	1	397.457	4.480	20	30		GIEDMO
N#Cc1ccc(C[N@@H+](Cc2ccc(-n3ccnc3)nc2)Cc2cccc(F)c2)cc1	ZINC000177263743	823413996	/nfs/dbraw/zinc/41/39/96/823413996.db2.gz	SVWBCEZDAZUHTM-UHFFFAOYSA-N	1	1	397.457	4.480	20	30		GIEDMO
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1Cc2ccccc2[C@@H](c2ccccc2)C1	ZINC000058563651	823410043	/nfs/dbraw/zinc/41/00/43/823410043.db2.gz	UUXFELBDYSDTNL-IHLLOCCUSA-N	1	1	375.516	4.077	20	30		GIEDMO
C=C(C)Cn1c(Cc2ccccc2C)nnc1N(C)[C@@H]1CC[N@H+](CC)[C@H](C)C1	ZINC000460555821	823430999	/nfs/dbraw/zinc/43/09/99/823430999.db2.gz	ROEQUEGVWOJOFC-TZIWHRDSSA-N	1	1	381.568	4.062	20	30		GIEDMO
C=C(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[N@H+](C2CCCC2)CC1	ZINC000460565739	823435435	/nfs/dbraw/zinc/43/54/35/823435435.db2.gz	ZPOZVJFOQVAIAR-UHFFFAOYSA-N	1	1	397.542	4.039	20	30		GIEDMO
N#CCc1ccc(OC[C@@H](O)C[N@@H+]2Cc3ccccc3[C@H](c3ccccc3)C2)cc1	ZINC000025288203	819955742	/nfs/dbraw/zinc/95/57/42/819955742.db2.gz	VENQMZCTDGEFLR-OZXSUGGESA-N	1	1	398.506	4.140	20	30		GIEDMO
C[N@H+](CC(=O)N[C@H](Cc1ccccc1)c1ccccc1)Cc1cccc(C#N)c1	ZINC000026326097	820084160	/nfs/dbraw/zinc/08/41/60/820084160.db2.gz	CNTHGNQAKGCOJW-XMMPIXPASA-N	1	1	383.495	4.090	20	30		GIEDMO
C[N@@H+](CC(=O)N[C@H](Cc1ccccc1)c1ccccc1)Cc1cccc(C#N)c1	ZINC000026326097	820084168	/nfs/dbraw/zinc/08/41/68/820084168.db2.gz	CNTHGNQAKGCOJW-XMMPIXPASA-N	1	1	383.495	4.090	20	30		GIEDMO
C=CCN1CC[C@H]([N@H+](CC)[C@H]2CCSc3ccc(Br)cc32)C1=O	ZINC000410349547	823469976	/nfs/dbraw/zinc/46/99/76/823469976.db2.gz	QFOOSHQTBKEGKO-HOTGVXAUSA-N	1	1	395.366	4.095	20	30		GIEDMO
C[N@H+]1CCC[C@H]2CN(C(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)CC[C@@H]21	ZINC000123165892	823472920	/nfs/dbraw/zinc/47/29/20/823472920.db2.gz	ULYQXGWLSNNQBH-AVRDEDQJSA-N	1	1	390.487	4.299	20	30		GIEDMO
C[C@@H](NC(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)c1ccc(C#N)cc1	ZINC000410358785	823473542	/nfs/dbraw/zinc/47/35/42/823473542.db2.gz	IOZLEJBWCKCSDM-RBUKOAKNSA-N	1	1	390.531	4.351	20	30		GIEDMO
N#Cc1cccc(NC(=O)C2CC[NH+](Cc3ccc(Br)cc3)CC2)c1	ZINC000060330091	823515831	/nfs/dbraw/zinc/51/58/31/823515831.db2.gz	LIGXRDNYTAMEQV-UHFFFAOYSA-N	1	1	398.304	4.171	20	30		GIEDMO
CC[NH+](CC)[C@H](C(=O)Nc1snc(C)c1C#N)c1cccc(C(F)(F)F)c1	ZINC000410814607	823516205	/nfs/dbraw/zinc/51/62/05/823516205.db2.gz	SKYXELLSJPQZBA-HNNXBMFYSA-N	1	1	396.438	4.364	20	30		GIEDMO
CC(C)CC[N@H+]1Cc2cccc(NC(=O)Cc3cccc(OCC#N)c3)c2C1	ZINC000123571975	823522661	/nfs/dbraw/zinc/52/26/61/823522661.db2.gz	DZTYKBTVAXFTMM-UHFFFAOYSA-N	1	1	377.488	4.132	20	30		GIEDMO
C[N@@H+](CCCCC#N)Cc1cccc(Br)c1OC[C@@H]1CCCO1	ZINC000190508580	823582185	/nfs/dbraw/zinc/58/21/85/823582185.db2.gz	LWRWSXDGOCSQLI-INIZCTEOSA-N	1	1	381.314	4.133	20	30		GIEDMO
Cc1cc(Cl)ccc1NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000043173036	821373521	/nfs/dbraw/zinc/37/35/21/821373521.db2.gz	PQQUGCVCJDXHSK-UHFFFAOYSA-N	1	1	382.895	4.260	20	30		GIEDMO
CC(C)[N@@H+]1CC[C@@H](NC(=O)Cc2ccc(C#N)cc2)[C@@H]1c1ccc(Cl)c(F)c1	ZINC000180752732	821434614	/nfs/dbraw/zinc/43/46/14/821434614.db2.gz	ROTZWMRMOIYQNI-IRLDBZIGSA-N	1	1	399.897	4.233	20	30		GIEDMO
CC(C)[N@H+]1CC[C@@H](NC(=O)Cc2ccc(C#N)cc2)[C@@H]1c1ccc(Cl)c(F)c1	ZINC000180752732	821434618	/nfs/dbraw/zinc/43/46/18/821434618.db2.gz	ROTZWMRMOIYQNI-IRLDBZIGSA-N	1	1	399.897	4.233	20	30		GIEDMO
CC(C)[N@H+]1CCC[C@@H](CNC(=O)c2ccccc2Oc2ccccc2C#N)C1	ZINC000181534814	821871349	/nfs/dbraw/zinc/87/13/49/821871349.db2.gz	YHIFGWZKWSKIND-SFHVURJKSA-N	1	1	377.488	4.201	20	30		GIEDMO
C[C@H]([NH2+][C@@H](C)c1ccc(F)cc1F)C(=O)Nc1c(F)c(F)c(F)c(F)c1F	ZINC000181587084	821891805	/nfs/dbraw/zinc/89/18/05/821891805.db2.gz	OHBYTAQEMJCJSF-BQBZGAKWSA-N	1	1	394.290	4.338	20	30		GIEDMO
C[C@H]([NH2+][C@@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1)c1cccc(C#N)c1	ZINC000181836715	822012913	/nfs/dbraw/zinc/01/29/13/822012913.db2.gz	DTSORTDGIOXQHQ-SBUREZEXSA-N	1	1	390.508	4.402	20	30		GIEDMO
C[C@H]([NH2+]C1[C@@H](C)CN(Cc2ccccc2)C[C@@H]1C)c1ccc(OCC#N)cc1	ZINC000181901690	822031388	/nfs/dbraw/zinc/03/13/88/822031388.db2.gz	SWYGFYYLUXESNY-UFYCRDLUSA-N	1	1	377.532	4.396	20	30		GIEDMO
COc1ccc(CN[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1OCCCC#N	ZINC000183102909	822424596	/nfs/dbraw/zinc/42/45/96/822424596.db2.gz	AYADZMQCQKYCCV-AZUAARDMSA-N	1	1	385.552	4.120	20	30		GIEDMO
COc1ccc(CN[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1OCCCC#N	ZINC000183102909	822424599	/nfs/dbraw/zinc/42/45/99/822424599.db2.gz	AYADZMQCQKYCCV-AZUAARDMSA-N	1	1	385.552	4.120	20	30		GIEDMO
C[C@@H]1CN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)CC[N@@H+](Cc2ccccc2)C1	ZINC000454445653	822476964	/nfs/dbraw/zinc/47/69/64/822476964.db2.gz	MGYHRMQDVJUWGY-IBGZPJMESA-N	1	1	390.531	4.474	20	30		GIEDMO
C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)Cc1ccc(C#N)cc1	ZINC000046526740	822481170	/nfs/dbraw/zinc/48/11/70/822481170.db2.gz	KFUNFTVSCDKEJA-UHFFFAOYSA-N	1	1	392.528	4.221	20	30		GIEDMO
C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+](C)Cc1ccc(C#N)cc1	ZINC000046528584	822481708	/nfs/dbraw/zinc/48/17/08/822481708.db2.gz	QFCKQTNSFLMMET-HNNXBMFYSA-N	1	1	392.528	4.219	20	30		GIEDMO
C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+](C)Cc1ccc(C#N)cc1	ZINC000046528584	822481709	/nfs/dbraw/zinc/48/17/09/822481709.db2.gz	QFCKQTNSFLMMET-HNNXBMFYSA-N	1	1	392.528	4.219	20	30		GIEDMO
Cc1csc([C@H]([NH2+]CC(=O)N(CCC#N)c2cccc(Cl)c2)C2CC2)n1	ZINC000183530968	822490748	/nfs/dbraw/zinc/49/07/48/822490748.db2.gz	JJVCWCFDNHYPAV-GOSISDBHSA-N	1	1	388.924	4.093	20	30		GIEDMO
C[C@H](CCCc1ccccc1)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000179638755	822517724	/nfs/dbraw/zinc/51/77/24/822517724.db2.gz	BVKQKRHBDNLCKS-OAQYLSRUSA-N	1	1	389.543	4.252	20	30		GIEDMO
C[C@H](CCCc1ccccc1)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000179638755	822517726	/nfs/dbraw/zinc/51/77/26/822517726.db2.gz	BVKQKRHBDNLCKS-OAQYLSRUSA-N	1	1	389.543	4.252	20	30		GIEDMO
C[C@@H]1CCCC[N@H+]1CCNC(=O)c1ccccc1Sc1ccccc1C#N	ZINC000046858158	822524904	/nfs/dbraw/zinc/52/49/04/822524904.db2.gz	WANGUZLJGFUXRB-QGZVFWFLSA-N	1	1	379.529	4.314	20	30		GIEDMO
N#Cc1ccc(C[NH+]2CCC(NC3(c4ccc(F)cc4F)CCC3)CC2)cc1	ZINC000179755329	822543853	/nfs/dbraw/zinc/54/38/53/822543853.db2.gz	KDSCGWNNNLCLGK-UHFFFAOYSA-N	1	1	381.470	4.470	20	30		GIEDMO
C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)C(C)(C)Cc2ccc(C#N)cc2)C1	ZINC000454961448	822563643	/nfs/dbraw/zinc/56/36/43/822563643.db2.gz	ZOGHGQDZYJFUJC-GCJKJVERSA-N	1	1	375.516	4.079	20	30		GIEDMO
Cn1cc(C[N@@H+](C)Cc2ccccc2N2CCCC2)c(-c2ccc(C#N)cc2)n1	ZINC000179890694	822572286	/nfs/dbraw/zinc/57/22/86/822572286.db2.gz	OFZWTZMHNDXMQM-UHFFFAOYSA-N	1	1	385.515	4.191	20	30		GIEDMO
COc1ccc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)cc1OCCCC#N	ZINC000180030689	822600751	/nfs/dbraw/zinc/60/07/51/822600751.db2.gz	GHJVSJWIAYHNPG-UHFFFAOYSA-N	1	1	375.472	4.414	20	30		GIEDMO
CC(C)(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1	ZINC000455196946	822605971	/nfs/dbraw/zinc/60/59/71/822605971.db2.gz	IPDIABWOGBUSIR-HXUWFJFHSA-N	1	1	395.572	4.217	20	30		GIEDMO
CC(C)(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1	ZINC000455196945	822605975	/nfs/dbraw/zinc/60/59/75/822605975.db2.gz	IPDIABWOGBUSIR-FQEVSTJZSA-N	1	1	395.572	4.217	20	30		GIEDMO
Cn1cc(C[N@H+](Cc2ccco2)Cc2ccc(O)cc2)c(-c2ccc(C#N)cc2)n1	ZINC000180065266	822607541	/nfs/dbraw/zinc/60/75/41/822607541.db2.gz	VMLAVAYMMONLGY-UHFFFAOYSA-N	1	1	398.466	4.460	20	30		GIEDMO
Cn1cc(C[N@@H+](Cc2ccco2)Cc2ccc(O)cc2)c(-c2ccc(C#N)cc2)n1	ZINC000180065266	822607542	/nfs/dbraw/zinc/60/75/42/822607542.db2.gz	VMLAVAYMMONLGY-UHFFFAOYSA-N	1	1	398.466	4.460	20	30		GIEDMO
C[C@@H](C#N)Oc1ccccc1NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1	ZINC000184301736	822611012	/nfs/dbraw/zinc/61/10/12/822611012.db2.gz	IOJFZMTZGYJECW-HBFSDRIKSA-N	1	1	392.503	4.152	20	30		GIEDMO
C[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1nc(C(C)(C)C)cs1	ZINC000184462644	822640059	/nfs/dbraw/zinc/64/00/59/822640059.db2.gz	FAWKFQJFKQFZKH-WMLDXEAASA-N	1	1	382.533	4.158	20	30		GIEDMO
C[C@@H]([NH2+]CC(=O)N(C)C1(C#N)CCCCC1)c1nc(-c2ccccc2)cs1	ZINC000184518605	822649750	/nfs/dbraw/zinc/64/97/50/822649750.db2.gz	KMLCWYZLCHPGDB-MRXNPFEDSA-N	1	1	382.533	4.146	20	30		GIEDMO
C[C@@H]([NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2)c1cccc([N+](=O)[O-])c1	ZINC000180397125	822675423	/nfs/dbraw/zinc/67/54/23/822675423.db2.gz	KXBSWIKCQRRFES-CYBMUJFWSA-N	1	1	398.488	4.086	20	30		GIEDMO
C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)Nc1ccc(CC#N)cc1Cl	ZINC000455702952	822707082	/nfs/dbraw/zinc/70/70/82/822707082.db2.gz	LROFWEBYCPWTEC-UHFFFAOYSA-N	1	1	384.911	4.438	20	30		GIEDMO
C[C@H]1[C@H](NC(=O)Nc2ccc(CC#N)cc2Cl)CC[N@H+]1Cc1ccccc1	ZINC000455733660	822716512	/nfs/dbraw/zinc/71/65/12/822716512.db2.gz	NVOLVZVCTSISBO-HNAYVOBHSA-N	1	1	382.895	4.191	20	30		GIEDMO
C[NH+](C)[C@H](CNC(=O)Nc1ccc(CC#N)cc1Cl)c1ccccc1Cl	ZINC000455749747	822719443	/nfs/dbraw/zinc/71/94/43/822719443.db2.gz	KMOCOJYTWOHRRK-GOSISDBHSA-N	1	1	391.302	4.484	20	30		GIEDMO
C[C@H]1CN(C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)CC[N@H+](C2CCC2)C1	ZINC000455776722	822724528	/nfs/dbraw/zinc/72/45/28/822724528.db2.gz	SIIBRVJNVUSHBQ-MRXNPFEDSA-N	1	1	384.524	4.074	20	30		GIEDMO
C[N@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)C[C@H]1CCCO[C@@H]1c1ccccc1	ZINC000051133650	822747735	/nfs/dbraw/zinc/74/77/35/822747735.db2.gz	BCMLSNPDLCHEPV-XMSQKQJNSA-N	1	1	397.906	4.250	20	30		GIEDMO
C[N@@H+](CCC(=O)Nc1sccc1C#N)C[C@@H]1CCCO[C@@H]1c1ccccc1	ZINC000051133509	822747766	/nfs/dbraw/zinc/74/77/66/822747766.db2.gz	BSILAGZWKLQQAI-AZUAARDMSA-N	1	1	383.517	4.048	20	30		GIEDMO
COc1cccc([C@H]2CCC[N@@H+]2CC(=O)N(CCC#N)c2cccc(C)c2C)c1	ZINC000051180501	822749121	/nfs/dbraw/zinc/74/91/21/822749121.db2.gz	VBGPEVGTJQAOCS-HSZRJFAPSA-N	1	1	391.515	4.396	20	30		GIEDMO
COc1cccc([C@H]2CCC[N@H+]2CC(=O)N(CCC#N)c2cccc(C)c2C)c1	ZINC000051180501	822749123	/nfs/dbraw/zinc/74/91/23/822749123.db2.gz	VBGPEVGTJQAOCS-HSZRJFAPSA-N	1	1	391.515	4.396	20	30		GIEDMO
C[C@H](NC(=O)C(C)(C)Cc1ccc(C#N)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000456001147	822764824	/nfs/dbraw/zinc/76/48/24/822764824.db2.gz	UPSNJFAMDLRCAT-WMZHIEFXSA-N	1	1	389.543	4.154	20	30		GIEDMO
Cn1cc(C[N@H+]2CC[C@@H](c3c(F)cccc3F)C2)c(-c2ccc(C#N)cc2)n1	ZINC000185335175	822767638	/nfs/dbraw/zinc/76/76/38/822767638.db2.gz	HCXYDYSPNNLYKX-QGZVFWFLSA-N	1	1	378.426	4.226	20	30		GIEDMO
C[C@@H]1CN(C(=O)C(C)(C)Cc2ccc(C#N)cc2)CC[N@@H+](Cc2ccccc2)C1	ZINC000456308058	822796768	/nfs/dbraw/zinc/79/67/68/822796768.db2.gz	ONMXGGKDOZNYFM-FQEVSTJZSA-N	1	1	389.543	4.107	20	30		GIEDMO
CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000174527191	822801443	/nfs/dbraw/zinc/80/14/43/822801443.db2.gz	SGPRPBOCUUGOQG-QGZVFWFLSA-N	1	1	382.895	4.197	20	30		GIEDMO
N#Cc1ccsc1NC(=O)C[N@@H+](CCc1ccccc1)Cc1ccccc1	ZINC000052876879	822813821	/nfs/dbraw/zinc/81/38/21/822813821.db2.gz	YJUXVGRZVNVEJN-UHFFFAOYSA-N	1	1	375.497	4.303	20	30		GIEDMO
COc1ccc([C@H]2CCCCC[N@H+]2C[C@H](O)COc2ccc(CC#N)cc2)cc1	ZINC000053421910	822834160	/nfs/dbraw/zinc/83/41/60/822834160.db2.gz	OJNWZZVBTOHOHR-XUZZJYLKSA-N	1	1	394.515	4.118	20	30		GIEDMO
COc1ccccc1C[C@@H](C)[N@@H+](C)CC(=O)c1cn(CCC#N)c2ccccc12	ZINC000174878112	822849748	/nfs/dbraw/zinc/84/97/48/822849748.db2.gz	BVFRFOUBENODGB-GOSISDBHSA-N	1	1	389.499	4.309	20	30		GIEDMO
CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(C(C)(C)C#N)cc1	ZINC000174903663	822853277	/nfs/dbraw/zinc/85/32/77/822853277.db2.gz	RBMLUDWVEJSWGU-FQEVSTJZSA-N	1	1	390.531	4.474	20	30		GIEDMO
CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@H](CCCC#N)c2ccccc2)c1	ZINC000458092481	822957574	/nfs/dbraw/zinc/95/75/74/822957574.db2.gz	AHXSARZLOWVSSG-JOCHJYFZSA-N	1	1	378.520	4.373	20	30		GIEDMO
C=CCn1c(-c2ccoc2)nnc1N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1	ZINC000570203893	823014927	/nfs/dbraw/zinc/01/49/27/823014927.db2.gz	NNOWNQWBCHQLEO-GHTZIAJQSA-N	1	1	391.519	4.213	20	30		GIEDMO
Cc1[nH+]ccn1CCCCNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	ZINC000175710900	823025101	/nfs/dbraw/zinc/02/51/01/823025101.db2.gz	OKBDCKJDYJARLB-UHFFFAOYSA-N	1	1	389.459	4.457	20	30		GIEDMO
C[C@H]1C[C@@H](N(C)C(=O)c2ccc(Sc3ccccc3C#N)cc2)CC[N@H+]1C	ZINC000175764175	823034348	/nfs/dbraw/zinc/03/43/48/823034348.db2.gz	SEGFBUHJHAMCOV-LPHOPBHVSA-N	1	1	379.529	4.264	20	30		GIEDMO
Cc1[nH+]ccn1CCCCNC(=O)c1ccc(Sc2ccccc2C#N)cc1	ZINC000175778599	823038174	/nfs/dbraw/zinc/03/81/74/823038174.db2.gz	XJIAEOXGXFIFHK-UHFFFAOYSA-N	1	1	390.512	4.425	20	30		GIEDMO
C=CC[NH+]1CCC(N[C@@H](C)c2ccc(OC(F)F)cc2OC(F)F)CC1	ZINC000177912182	823545466	/nfs/dbraw/zinc/54/54/66/823545466.db2.gz	LLDAZQUGCKKVIC-LBPRGKRZSA-N	1	1	376.394	4.190	20	30		GIEDMO
C=C(C)Cn1c(C2CCC2)nnc1N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1	ZINC000460963601	823551735	/nfs/dbraw/zinc/55/17/35/823551735.db2.gz	YWTRCXLQIHSRHR-LJQANCHMSA-N	1	1	379.552	4.223	20	30		GIEDMO
C[C@@H](CNCc1cccc(OCc2cccc(C#N)c2)c1)[N@@H+]1CCCC[C@@H]1C	ZINC000060976030	823570650	/nfs/dbraw/zinc/57/06/50/823570650.db2.gz	NGYQWDUDAHMYNQ-PMACEKPBSA-N	1	1	377.532	4.490	20	30		GIEDMO
C[C@@H](CNCc1cccc(OCc2cccc(C#N)c2)c1)[N@H+]1CCCC[C@@H]1C	ZINC000060976030	823570652	/nfs/dbraw/zinc/57/06/52/823570652.db2.gz	NGYQWDUDAHMYNQ-PMACEKPBSA-N	1	1	377.532	4.490	20	30		GIEDMO
CCC[N@H+](CC(=O)Nc1cccc(C(F)(F)F)c1)Cc1ccc(C#N)cc1	ZINC000061001925	823572181	/nfs/dbraw/zinc/57/21/81/823572181.db2.gz	DBJFNQREXCWNKE-UHFFFAOYSA-N	1	1	375.394	4.428	20	30		GIEDMO
CCC[N@@H+](CC(=O)Nc1cccc(C(F)(F)F)c1)Cc1ccc(C#N)cc1	ZINC000061001925	823572182	/nfs/dbraw/zinc/57/21/82/823572182.db2.gz	DBJFNQREXCWNKE-UHFFFAOYSA-N	1	1	375.394	4.428	20	30		GIEDMO
C[C@@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cccc(Cl)c1Cl	ZINC000190620642	823592499	/nfs/dbraw/zinc/59/24/99/823592499.db2.gz	OUWLLLWKCXXVKP-FZKQIMNGSA-N	1	1	388.298	4.317	20	30		GIEDMO
CN(CC[C@H]1CCCC[N@H+]1C)C(=O)c1cccc(Oc2ccc(C#N)cc2)c1	ZINC000461272255	823610087	/nfs/dbraw/zinc/61/00/87/823610087.db2.gz	OPBUCJXLNLVJSO-HXUWFJFHSA-N	1	1	377.488	4.297	20	30		GIEDMO
CSc1ccccc1OC[C@@H](O)C[N@H+](Cc1ccc(F)cc1C#N)C(C)C	ZINC000411980258	823617709	/nfs/dbraw/zinc/61/77/09/823617709.db2.gz	GUYQXLQZLYRDIF-IBGZPJMESA-N	1	1	388.508	4.070	20	30		GIEDMO
CSc1ccccc1OC[C@@H](O)C[N@@H+](Cc1ccc(F)cc1C#N)C(C)C	ZINC000411980258	823617712	/nfs/dbraw/zinc/61/77/12/823617712.db2.gz	GUYQXLQZLYRDIF-IBGZPJMESA-N	1	1	388.508	4.070	20	30		GIEDMO
CSc1ccccc1OC[C@@H](O)C[N@@H+](Cc1ccc(F)c(C#N)c1)C(C)C	ZINC000411984954	823618123	/nfs/dbraw/zinc/61/81/23/823618123.db2.gz	NJJBIJLXYNZVIB-SFHVURJKSA-N	1	1	388.508	4.070	20	30		GIEDMO
C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@@H]3C[C@H]3c3cccc(C#N)c3)cc2)C1	ZINC000412149893	823630791	/nfs/dbraw/zinc/63/07/91/823630791.db2.gz	CLGGCJZUWKEKMA-PDIWNELESA-N	1	1	389.499	4.021	20	30		GIEDMO
C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CC1	ZINC000412188432	823633959	/nfs/dbraw/zinc/63/39/59/823633959.db2.gz	BPUUKXKFBXNHPH-YFXJRYMSSA-N	1	1	379.548	4.165	20	30		GIEDMO
CC(C)(C#N)c1ccc(C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cc1	ZINC000461427039	823634524	/nfs/dbraw/zinc/63/45/24/823634524.db2.gz	GCICCIFAAGASIM-YADHBBJMSA-N	1	1	387.527	4.082	20	30		GIEDMO
N#Cc1cccc(NC(=O)C[NH2+]C(c2ccc(F)cc2)c2ccc(F)cc2)c1	ZINC000063471010	823674281	/nfs/dbraw/zinc/67/42/81/823674281.db2.gz	CQQGDMWBXXSVOW-UHFFFAOYSA-N	1	1	377.394	4.154	20	30		GIEDMO
N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCC[C@H]1c1ccncc1)CCCCC2	ZINC000125482357	823679701	/nfs/dbraw/zinc/67/97/01/823679701.db2.gz	MGMRQOPYORBUFG-IBGZPJMESA-N	1	1	394.544	4.449	20	30		GIEDMO
Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](Cc1ccc(C#N)cc1)C(C)C	ZINC000063751238	823693474	/nfs/dbraw/zinc/69/34/74/823693474.db2.gz	YPVBUBSXOAMMIR-UHFFFAOYSA-N	1	1	380.448	4.014	20	30		GIEDMO
N#CCCCC(=O)N1CC[NH+](Cc2ccc(-c3cccc(Cl)c3)s2)CC1	ZINC000461898492	823744063	/nfs/dbraw/zinc/74/40/63/823744063.db2.gz	GVKIBLRAINZQTH-UHFFFAOYSA-N	1	1	387.936	4.407	20	30		GIEDMO
C[C@@H](C(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C)c1cccc(C#N)c1	ZINC000461908271	823749217	/nfs/dbraw/zinc/74/92/17/823749217.db2.gz	DGUYZUPVWYDGIG-RBUKOAKNSA-N	1	1	375.516	4.353	20	30		GIEDMO
C[C@H](C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1)c1cccc(C#N)c1	ZINC000461910132	823750347	/nfs/dbraw/zinc/75/03/47/823750347.db2.gz	TVOPBQTVGXASRV-MOPGFXCFSA-N	1	1	375.516	4.210	20	30		GIEDMO
N#Cc1ccc(C[N@@H+]2CCCN(Cc3sccc3Br)CC2)cc1	ZINC000164369810	823798361	/nfs/dbraw/zinc/79/83/61/823798361.db2.gz	LGICPQXZODMLGT-UHFFFAOYSA-N	1	1	390.350	4.090	20	30		GIEDMO
CCOc1c(Br)cc(C[NH2+]CC(C)(C)C#N)cc1Br	ZINC000168941177	823907297	/nfs/dbraw/zinc/90/72/97/823907297.db2.gz	RMRWIDHOBHLSIS-UHFFFAOYSA-N	1	1	390.119	4.250	20	30		GIEDMO
Cc1[nH+]ccn1-c1ccc(CNc2c(C#N)cnc3ccc(Cl)cc32)cc1F	ZINC000462389248	823955909	/nfs/dbraw/zinc/95/59/09/823955909.db2.gz	MSQRHUXQLWDCTL-UHFFFAOYSA-N	1	1	391.837	4.427	20	30		GIEDMO
Cc1ccc(N2CCC(C(=O)Nc3ccccc3SC[C@@H](C)C#N)CC2)[nH+]c1	ZINC000170974193	824024939	/nfs/dbraw/zinc/02/49/39/824024939.db2.gz	XEXXCQUVYJSEID-KRWDZBQOSA-N	1	1	394.544	4.497	20	30		GIEDMO
C=CCOc1ccc(C[N@@H+](C)[C@H](C)c2ccc(-n3cncn3)cc2)cc1OC	ZINC000127140397	824025034	/nfs/dbraw/zinc/02/50/34/824025034.db2.gz	SDUYVNXMDGSSMZ-QGZVFWFLSA-N	1	1	378.476	4.034	20	30		GIEDMO
C[C@@H](c1cccnc1)[NH+]1CCN(c2c(C#N)cnc3c(Cl)cccc32)CC1	ZINC000575984162	824044203	/nfs/dbraw/zinc/04/42/03/824044203.db2.gz	PCXHOFZDXQBQER-HNNXBMFYSA-N	1	1	377.879	4.038	20	30		GIEDMO
C[C@H](c1cccnc1)[NH+]1CCN(c2c(C#N)cnc3c(Cl)cccc32)CC1	ZINC000575984163	824044242	/nfs/dbraw/zinc/04/42/42/824044242.db2.gz	PCXHOFZDXQBQER-OAHLLOKOSA-N	1	1	377.879	4.038	20	30		GIEDMO
C[C@@H]1CN(C(F)(F)c2ccc3nc(Cl)c(C#N)c(Cl)c3c2)[C@@H](C)C[N@@H+]1C	ZINC001164637865	719259011	/nfs/dbraw/zinc/25/90/11/719259011.db2.gz	WSKLTZSMBWVRAQ-MNOVXSKESA-N	1	1	399.272	4.487	20	30		GIEDMO
C[C@@H]1CN(C(F)(F)c2ccc3nc(Cl)c(C#N)c(Cl)c3c2)[C@@H](C)C[N@H+]1C	ZINC001164637865	719259013	/nfs/dbraw/zinc/25/90/13/719259013.db2.gz	WSKLTZSMBWVRAQ-MNOVXSKESA-N	1	1	399.272	4.487	20	30		GIEDMO
Cc1cc(Cl)nc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1C#N	ZINC001165025871	721801495	/nfs/dbraw/zinc/80/14/95/721801495.db2.gz	PSTWJNJKZFEXMQ-VDGAXYAQSA-N	1	1	395.938	4.047	20	30		GIEDMO
C=C(C)COc1cccc(NC(=O)NC2CCN(c3ccc(C)c[nH+]3)CC2)c1	ZINC000176003274	823092750	/nfs/dbraw/zinc/09/27/50/823092750.db2.gz	HKSZZFNGUSYVDY-UHFFFAOYSA-N	1	1	380.492	4.135	20	30		GIEDMO
N#CCSc1cccc(C(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)c1	ZINC000176007167	823094242	/nfs/dbraw/zinc/09/42/42/823094242.db2.gz	ZVDCNDXRMOARRK-UHFFFAOYSA-N	1	1	399.947	4.304	20	30		GIEDMO
N#CCSc1cccc(C(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)c1	ZINC000176007167	823094246	/nfs/dbraw/zinc/09/42/46/823094246.db2.gz	ZVDCNDXRMOARRK-UHFFFAOYSA-N	1	1	399.947	4.304	20	30		GIEDMO
C=CCOc1ccc(C[N@H+]2CCC[C@H]2Cn2cnc3ccccc32)cc1OC	ZINC000571665280	823216112	/nfs/dbraw/zinc/21/61/12/823216112.db2.gz	YCULKHDICOHWPK-IBGZPJMESA-N	1	1	377.488	4.274	20	30		GIEDMO
N#CCc1ccc(OC[C@H](O)C[N@H+]2CC3(CCCC3)[C@@H]2c2ccccc2)cc1	ZINC000459566657	823221573	/nfs/dbraw/zinc/22/15/73/823221573.db2.gz	HTGUAWXGLFRFAV-GGAORHGYSA-N	1	1	376.500	4.110	20	30		GIEDMO
C[C@@H](Cc1cccc(F)c1)[N@@H+](C)Cc1cn(CCC#N)nc1-c1ccncc1	ZINC000459777617	823263723	/nfs/dbraw/zinc/26/37/23/823263723.db2.gz	XDSODYCOYCFODQ-KRWDZBQOSA-N	1	1	377.467	4.061	20	30		GIEDMO
C[N@H+]1CC[C@H]2CCN(C(=O)Nc3ccc(Sc4ccccc4C#N)cc3)[C@H]2C1	ZINC000571994902	823267241	/nfs/dbraw/zinc/26/72/41/823267241.db2.gz	RANPANQAIJPGAZ-JXFKEZNVSA-N	1	1	392.528	4.267	20	30		GIEDMO
CC[N@@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)Cc1ccccc1	ZINC000007449747	817844196	/nfs/dbraw/zinc/84/41/96/817844196.db2.gz	GYUUKVZSZKLGAD-UHFFFAOYSA-N	1	1	390.487	4.079	20	30		GIEDMO
C[C@H](NC(=O)CO[NH+]=C(N)C12CC3CC(CC(C3)C1)C2)c1ccc(Cl)cc1	ZINC000014371118	818239298	/nfs/dbraw/zinc/23/92/98/818239298.db2.gz	JWAKJSSJVLXAJF-JHMRYYBSSA-N	1	1	389.927	4.022	20	30		GIEDMO
CC[N@H+]1CC[C@@H](N(C)C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)[C@H](C)C1	ZINC000122317089	823337044	/nfs/dbraw/zinc/33/70/44/823337044.db2.gz	CJAUZDRHJIRHBJ-VGOFRKELSA-N	1	1	377.488	4.153	20	30		GIEDMO
O=C(NC1CC[NH+](CC#Cc2ccc(C(F)(F)F)cc2)CC1)c1ccsc1	ZINC000177045963	823358657	/nfs/dbraw/zinc/35/86/57/823358657.db2.gz	KSNDFGSLOQHMMW-UHFFFAOYSA-N	1	1	392.446	4.013	20	30		GIEDMO
N#Cc1ccc(C[N@@H+]2CCCN(Cc3ccccc3Br)CC2)cc1	ZINC000022850318	818867130	/nfs/dbraw/zinc/86/71/30/818867130.db2.gz	IMGLPVKHGYWZET-UHFFFAOYSA-N	1	1	384.321	4.029	20	30		GIEDMO
N#Cc1ccc(C[N@H+]2CCCN(Cc3csc(-c4ccccc4)n3)CC2)cc1	ZINC000022850336	818867437	/nfs/dbraw/zinc/86/74/37/818867437.db2.gz	FDPGNKRLBUDGJI-UHFFFAOYSA-N	1	1	388.540	4.390	20	30		GIEDMO
CC[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)Cc1ccc(C(=O)N(C)C)cc1	ZINC000177115125	823374637	/nfs/dbraw/zinc/37/46/37/823374637.db2.gz	LZXQKGARBPHTJY-UHFFFAOYSA-N	1	1	388.433	4.281	20	30		GIEDMO
Cc1cc(Br)ccc1NC(=O)C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1	ZINC000189348890	823398683	/nfs/dbraw/zinc/39/86/83/823398683.db2.gz	OYVUGLPPRIJXRS-AWEZNQCLSA-N	1	1	386.293	4.261	20	30		GIEDMO
Cc1cc(Br)ccc1NC(=O)C[N@H+](C)[C@@H](C)c1cccc(C#N)c1	ZINC000189348890	823398690	/nfs/dbraw/zinc/39/86/90/823398690.db2.gz	OYVUGLPPRIJXRS-AWEZNQCLSA-N	1	1	386.293	4.261	20	30		GIEDMO
CC[C@@H](C)c1nnc(N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)n1CC(C)C	ZINC000460580075	823442948	/nfs/dbraw/zinc/44/29/48/823442948.db2.gz	VINPJHRJLOCCLB-LJQANCHMSA-N	1	1	394.567	4.032	20	30		GIEDMO
N#Cc1ccccc1-c1ccc(C[N@@H+]2CCC[C@H]2C(=O)NCc2ccco2)cc1	ZINC000026135045	820063523	/nfs/dbraw/zinc/06/35/23/820063523.db2.gz	LMORLIXSHJOTAA-QHCPKHFHSA-N	1	1	385.467	4.099	20	30		GIEDMO
C[N@H+](CC(=O)N(Cc1ccc(F)cc1)C1CCCCC1)Cc1cccc(C#N)c1	ZINC000026326911	820083987	/nfs/dbraw/zinc/08/39/87/820083987.db2.gz	QGGJZGFHNOPURQ-UHFFFAOYSA-N	1	1	393.506	4.491	20	30		GIEDMO
C[N@@H+](CC(=O)N(Cc1ccc(F)cc1)C1CCCCC1)Cc1cccc(C#N)c1	ZINC000026326911	820083998	/nfs/dbraw/zinc/08/39/98/820083998.db2.gz	QGGJZGFHNOPURQ-UHFFFAOYSA-N	1	1	393.506	4.491	20	30		GIEDMO
C[N@H+](CC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1)Cc1cccc(C#N)c1	ZINC000026326190	820084367	/nfs/dbraw/zinc/08/43/67/820084367.db2.gz	HFDGWMXXMXIFOD-UHFFFAOYSA-N	1	1	393.874	4.220	20	30		GIEDMO
C[N@@H+](CC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1)Cc1cccc(C#N)c1	ZINC000026326190	820084378	/nfs/dbraw/zinc/08/43/78/820084378.db2.gz	HFDGWMXXMXIFOD-UHFFFAOYSA-N	1	1	393.874	4.220	20	30		GIEDMO
N#Cc1ccccc1-c1ccc(C[NH+]2CCN(C(=O)c3cccc(F)c3)CC2)cc1	ZINC000027462111	820247525	/nfs/dbraw/zinc/24/75/25/820247525.db2.gz	VUHFERVBMDFWFZ-UHFFFAOYSA-N	1	1	399.469	4.322	20	30		GIEDMO
CCC(CC)C(=O)N1CC[NH+](Cc2ccc(-c3ccccc3C#N)cc2)CC1	ZINC000027611363	820267079	/nfs/dbraw/zinc/26/70/79/820267079.db2.gz	AHBJTELQHXTXQR-UHFFFAOYSA-N	1	1	375.516	4.306	20	30		GIEDMO
COc1ccc(Cl)cc1C[N@@H+](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000027738431	820281702	/nfs/dbraw/zinc/28/17/02/820281702.db2.gz	VAJCEKGCFZVBCL-UHFFFAOYSA-N	1	1	392.286	4.334	20	30		GIEDMO
CC[NH+](CC)Cc1ccccc1CN[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000028899210	820369216	/nfs/dbraw/zinc/36/92/16/820369216.db2.gz	XVUITSGMFYMRAU-INIZCTEOSA-N	1	1	398.938	4.170	20	30		GIEDMO
Cc1c2cc(F)ccc2oc1C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000029985171	820561360	/nfs/dbraw/zinc/56/13/60/820561360.db2.gz	ZWDPIRVXVNKHFZ-UHFFFAOYSA-N	1	1	391.446	4.100	20	30		GIEDMO
Cc1c2cc(F)ccc2oc1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000029985171	820561369	/nfs/dbraw/zinc/56/13/69/820561369.db2.gz	ZWDPIRVXVNKHFZ-UHFFFAOYSA-N	1	1	391.446	4.100	20	30		GIEDMO
C=C[C@@](C)(CCOC)C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1	ZINC000189935629	823515655	/nfs/dbraw/zinc/51/56/55/823515655.db2.gz	SWTAEWMCDBWQRC-FQEVSTJZSA-N	1	1	399.362	4.303	20	30		GIEDMO
C[C@@H](CNC(=O)c1ccc(OCc2ccccc2C#N)cc1)[N@H+]1CCCC[C@@H]1C	ZINC000032737369	821001367	/nfs/dbraw/zinc/00/13/67/821001367.db2.gz	PJRQIEPGBKYILG-OALUTQOASA-N	1	1	391.515	4.130	20	30		GIEDMO
N#CCCCOc1cccc(C[NH+]2CCC(O)(c3c(F)cccc3F)CC2)c1	ZINC000190025619	823527953	/nfs/dbraw/zinc/52/79/53/823527953.db2.gz	IFVINSYALQWCHA-UHFFFAOYSA-N	1	1	386.442	4.131	20	30		GIEDMO
CC[N@@H+](CC(=O)NCc1cccc(OC(C)C)c1)[C@H](C)c1ccc(C#N)cc1	ZINC000060469415	823531551	/nfs/dbraw/zinc/53/15/51/823531551.db2.gz	GWRPZPKWHUCGKK-GOSISDBHSA-N	1	1	379.504	4.045	20	30		GIEDMO
CC[N@@H+](CC(=O)N(C)[C@H](C)c1ccccc1OC)[C@H](C)c1ccc(C#N)cc1	ZINC000060469536	823531775	/nfs/dbraw/zinc/53/17/75/823531775.db2.gz	QOBHNRMRVCQMJZ-QZTJIDSGSA-N	1	1	379.504	4.169	20	30		GIEDMO
Cc1cc(C#N)ccc1C(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1	ZINC000123786450	823540680	/nfs/dbraw/zinc/54/06/80/823540680.db2.gz	XXSQRMAIOYKVQQ-OXQOHEQNSA-N	1	1	385.870	4.082	20	30		GIEDMO
C[C@@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(OCc2ccccc2)CC1	ZINC000042563573	821310320	/nfs/dbraw/zinc/31/03/20/821310320.db2.gz	HNLWJJCMLHCRQI-FQEVSTJZSA-N	1	1	391.515	4.003	20	30		GIEDMO
C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[NH+]1CCC(c2ccc(O)cc2)CC1	ZINC000042633583	821316486	/nfs/dbraw/zinc/31/64/86/821316486.db2.gz	JUPJBVIMRFMSBM-AWEZNQCLSA-N	1	1	395.528	4.021	20	30		GIEDMO
CC[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@H](C)c1ccc(C#N)cc1	ZINC000042741971	821329647	/nfs/dbraw/zinc/32/96/47/821329647.db2.gz	NCJBSOAGHZGRNO-CYBMUJFWSA-N	1	1	386.839	4.141	20	30		GIEDMO
CC[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@H](C)c1ccc(C#N)cc1	ZINC000042741971	821329655	/nfs/dbraw/zinc/32/96/55/821329655.db2.gz	NCJBSOAGHZGRNO-CYBMUJFWSA-N	1	1	386.839	4.141	20	30		GIEDMO
CC[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@@H](C)c1ccc(C#N)cc1	ZINC000042741968	821329993	/nfs/dbraw/zinc/32/99/93/821329993.db2.gz	NCJBSOAGHZGRNO-ZDUSSCGKSA-N	1	1	386.839	4.141	20	30		GIEDMO
CC[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@@H](C)c1ccc(C#N)cc1	ZINC000042741968	821329999	/nfs/dbraw/zinc/32/99/99/821329999.db2.gz	NCJBSOAGHZGRNO-ZDUSSCGKSA-N	1	1	386.839	4.141	20	30		GIEDMO
Cc1nc(-c2cc3c(s2)CC[N@@H+](C[C@H](O)c2ccc(C#N)cc2)C3)cs1	ZINC000180880398	821510007	/nfs/dbraw/zinc/51/00/07/821510007.db2.gz	CWBBNLXDMRFCGZ-SFHVURJKSA-N	1	1	381.526	4.143	20	30		GIEDMO
COc1ccc(C[N@@H+](Cc2ccc(O[C@@H](C)C#N)cc2)[C@H](CO)C(C)C)cc1	ZINC000181154148	821667203	/nfs/dbraw/zinc/66/72/03/821667203.db2.gz	MNFVQYUNJAHUDG-FDDCHVKYSA-N	1	1	382.504	4.005	20	30		GIEDMO
C=CCN1CCC([NH2+][C@H](c2ccco2)c2ccc(Br)cc2)CC1	ZINC000182640314	822335137	/nfs/dbraw/zinc/33/51/37/822335137.db2.gz	FZSQFRJDBLNYAQ-IBGZPJMESA-N	1	1	375.310	4.372	20	30		GIEDMO
C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NCc1ccc(C#N)c(F)c1	ZINC000454259029	822445061	/nfs/dbraw/zinc/44/50/61/822445061.db2.gz	CZAFKIYZYRGZAC-KRWDZBQOSA-N	1	1	394.494	4.071	20	30		GIEDMO
Cc1cc(C)cc([C@@H]2CC[N@H+](CC(=O)Nc3ccccc3SCC#N)C2)c1	ZINC000183481369	822482755	/nfs/dbraw/zinc/48/27/55/822482755.db2.gz	IUXAJIARIOCXOZ-GOSISDBHSA-N	1	1	379.529	4.347	20	30		GIEDMO
Cc1cc(C)cc([C@@H]2CC[N@@H+](CC(=O)Nc3ccccc3SCC#N)C2)c1	ZINC000183481369	822482758	/nfs/dbraw/zinc/48/27/58/822482758.db2.gz	IUXAJIARIOCXOZ-GOSISDBHSA-N	1	1	379.529	4.347	20	30		GIEDMO
CC(C)Oc1ccc(NC(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1C#N	ZINC000183534771	822491493	/nfs/dbraw/zinc/49/14/93/822491493.db2.gz	LSECPHZNADGTRQ-IAGOWNOFSA-N	1	1	384.524	4.120	20	30		GIEDMO
CC(C)Oc1ccc(NC(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1C#N	ZINC000183534782	822491513	/nfs/dbraw/zinc/49/15/13/822491513.db2.gz	LSECPHZNADGTRQ-IRXDYDNUSA-N	1	1	384.524	4.120	20	30		GIEDMO
C[N@H+]1CC[C@H](CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C1	ZINC000454535371	822492826	/nfs/dbraw/zinc/49/28/26/822492826.db2.gz	ADBYEGZZRAVIPY-OAHLLOKOSA-N	1	1	384.867	4.077	20	30		GIEDMO
C[N@@H+](CCCCNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)C1CC1	ZINC000454596917	822503540	/nfs/dbraw/zinc/50/35/40/822503540.db2.gz	DMCLVFDIGYSOKO-UHFFFAOYSA-N	1	1	378.476	4.346	20	30		GIEDMO
C[C@H]1CN(C(=O)N[C@@H](CCC#N)c2ccccc2)CC[N@@H+](Cc2ccccc2)C1	ZINC000454725003	822523966	/nfs/dbraw/zinc/52/39/66/822523966.db2.gz	UUMHOIMWKRJCER-OFNKIYASSA-N	1	1	390.531	4.195	20	30		GIEDMO
CC[C@@H](c1ccncc1)[N@H+](C)CC(=O)Nc1ccccc1S[C@@H](C)CC#N	ZINC000179708202	822532205	/nfs/dbraw/zinc/53/22/05/822532205.db2.gz	UOGNQGHFCOVZMI-LPHOPBHVSA-N	1	1	382.533	4.497	20	30		GIEDMO
CC[C@@H](c1ccncc1)[N@@H+](C)CC(=O)Nc1ccccc1S[C@@H](C)CC#N	ZINC000179708202	822532208	/nfs/dbraw/zinc/53/22/08/822532208.db2.gz	UOGNQGHFCOVZMI-LPHOPBHVSA-N	1	1	382.533	4.497	20	30		GIEDMO
CC[N@@H+](Cc1ccc(C(=O)N[C@]2(C#N)CCc3ccccc3C2)cc1)C(C)C	ZINC000183963711	822554649	/nfs/dbraw/zinc/55/46/49/822554649.db2.gz	SXANJFBJRKEAOX-XMMPIXPASA-N	1	1	375.516	4.098	20	30		GIEDMO
Cc1cnc(C(C)(C)[NH2+][C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)s1	ZINC000183967108	822555218	/nfs/dbraw/zinc/55/52/18/822555218.db2.gz	RDGPOJFTLVSBTM-QGZVFWFLSA-N	1	1	384.549	4.228	20	30		GIEDMO
C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	ZINC000179843438	822564663	/nfs/dbraw/zinc/56/46/63/822564663.db2.gz	GSAOJNFKKNCYLI-VQIMIIECSA-N	1	1	376.460	4.051	20	30		GIEDMO
C[C@@H]1CN(C(=O)Nc2ccc(C#N)cc2Cl)CC[N@@H+](Cc2ccccc2)C1	ZINC000455000994	822568260	/nfs/dbraw/zinc/56/82/60/822568260.db2.gz	YXWKMQRUBNJROC-INIZCTEOSA-N	1	1	382.895	4.197	20	30		GIEDMO
C[C@H](C#N)Oc1ccccc1NC(=O)N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1	ZINC000180016386	822597304	/nfs/dbraw/zinc/59/73/04/822597304.db2.gz	SJGLTESNKGWYRN-QUCCMNQESA-N	1	1	392.503	4.106	20	30		GIEDMO
Cn1cc(C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)c(-c2ccc(C#N)cc2)n1	ZINC000180067993	822608475	/nfs/dbraw/zinc/60/84/75/822608475.db2.gz	XECITVITSPEFHA-HXUWFJFHSA-N	1	1	386.455	4.025	20	30		GIEDMO
CC[C@@H](C#N)Oc1cc(C[NH2+][C@H](C)c2nc3ccccc3n2C)ccc1OC	ZINC000180175332	822632587	/nfs/dbraw/zinc/63/25/87/822632587.db2.gz	WMSAMKYBWPMVNH-WBVHZDCISA-N	1	1	378.476	4.114	20	30		GIEDMO
CC[C@H](C#N)Oc1cc(C[NH2+][C@@H](C)c2nc3ccccc3n2C)ccc1OC	ZINC000180175313	822632628	/nfs/dbraw/zinc/63/26/28/822632628.db2.gz	WMSAMKYBWPMVNH-DOTOQJQBSA-N	1	1	378.476	4.114	20	30		GIEDMO
CC[C@H]1CN(C(=O)Nc2ccccc2O[C@@H](C)C#N)CC[N@H+]1Cc1ccccc1	ZINC000184434894	822634540	/nfs/dbraw/zinc/63/45/40/822634540.db2.gz	VSWTWJVZGGPJNC-ICSRJNTNSA-N	1	1	392.503	4.106	20	30		GIEDMO
C[C@H](c1ccc(NC(=O)C(C)(C)Cc2ccc(C#N)cc2)cc1)[NH+]1CCOCC1	ZINC000455470595	822660907	/nfs/dbraw/zinc/66/09/07/822660907.db2.gz	BUSQLVUKPWWGPM-GOSISDBHSA-N	1	1	391.515	4.159	20	30		GIEDMO
C=C(C)COc1cc(C[NH2+][C@@H](COC)c2ccc(F)c(F)c2)ccc1OC	ZINC000180363565	822670715	/nfs/dbraw/zinc/67/07/15/822670715.db2.gz	ZOEXXLHXDSCITJ-IBGZPJMESA-N	1	1	377.431	4.406	20	30		GIEDMO
Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1	ZINC000180503873	822692194	/nfs/dbraw/zinc/69/21/94/822692194.db2.gz	VQJJMOCYZLPKAB-IBGZPJMESA-N	1	1	399.926	4.072	20	30		GIEDMO
Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1	ZINC000180503873	822692196	/nfs/dbraw/zinc/69/21/96/822692196.db2.gz	VQJJMOCYZLPKAB-IBGZPJMESA-N	1	1	399.926	4.072	20	30		GIEDMO
C=C(C)[C@H](NC(=O)C1CCN(c2ccc(C)c[nH+]2)CC1)c1ccc(F)c(F)c1	ZINC000184836858	822697717	/nfs/dbraw/zinc/69/77/17/822697717.db2.gz	DTZMANKAMYQWHR-NRFANRHFSA-N	1	1	385.458	4.318	20	30		GIEDMO
N#CCc1ccc(NC(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c(Cl)c1	ZINC000455705956	822708183	/nfs/dbraw/zinc/70/81/83/822708183.db2.gz	PIAJGBIDWIRRMO-SFHVURJKSA-N	1	1	382.895	4.192	20	30		GIEDMO
C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)Nc2ccc(CC#N)cc2Cl)C1	ZINC000455709853	822709427	/nfs/dbraw/zinc/70/94/27/822709427.db2.gz	VRNTVYFQSRHGNC-IYBDPMFKSA-N	1	1	376.932	4.286	20	30		GIEDMO
C=CCOc1cccc(NC(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)c1	ZINC000050059262	822716670	/nfs/dbraw/zinc/71/66/70/822716670.db2.gz	IZJZSCVNFFGYSP-QGZVFWFLSA-N	1	1	385.533	4.347	20	30		GIEDMO
CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(C)(C)Cc1ccc(C#N)cc1	ZINC000455834303	822733752	/nfs/dbraw/zinc/73/37/52/822733752.db2.gz	BAIAEYLRFPUFQY-QHCPKHFHSA-N	1	1	389.543	4.107	20	30		GIEDMO
CC[C@H]([NH2+]CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1)c1nccs1	ZINC000185117084	822739179	/nfs/dbraw/zinc/73/91/79/822739179.db2.gz	WYCZHICBLQPSMW-INIZCTEOSA-N	1	1	376.913	4.093	20	30		GIEDMO
CC[N@H+](CC(=O)N(CCC#N)c1cccc(C)c1C)Cc1ccc(OC)cc1	ZINC000052039973	822789087	/nfs/dbraw/zinc/78/90/87/822789087.db2.gz	QLKREJJSFBTXDO-UHFFFAOYSA-N	1	1	379.504	4.081	20	30		GIEDMO
CC[N@@H+](CC(=O)N(CCC#N)c1cccc(C)c1C)Cc1ccc(OC)cc1	ZINC000052039973	822789091	/nfs/dbraw/zinc/78/90/91/822789091.db2.gz	QLKREJJSFBTXDO-UHFFFAOYSA-N	1	1	379.504	4.081	20	30		GIEDMO
CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)C1	ZINC000174481192	822795410	/nfs/dbraw/zinc/79/54/10/822795410.db2.gz	JVRJCNJYXVQOJG-INIZCTEOSA-N	1	1	397.906	4.418	20	30		GIEDMO
C=CC[N@H+](CCC(=O)Nc1cc(OC)c(Cl)cc1OC)Cc1cccs1	ZINC000174707614	822826391	/nfs/dbraw/zinc/82/63/91/822826391.db2.gz	BXZKSWCKNLBLKX-UHFFFAOYSA-N	1	1	394.924	4.436	20	30		GIEDMO
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC[C@@H]2CC[C@H](C1)[N@H+]2C	ZINC000174793945	822837735	/nfs/dbraw/zinc/83/77/35/822837735.db2.gz	SKZSPYQCVAMZIH-RBUKOAKNSA-N	1	1	390.487	4.359	20	30		GIEDMO
COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H]1c1ccccc1	ZINC000174975011	822863163	/nfs/dbraw/zinc/86/31/63/822863163.db2.gz	PMYHZBOPGQLGIN-FGSXEWAUSA-N	1	1	377.488	4.023	20	30		GIEDMO
COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H]1c1ccccc1	ZINC000174975011	822863167	/nfs/dbraw/zinc/86/31/67/822863167.db2.gz	PMYHZBOPGQLGIN-FGSXEWAUSA-N	1	1	377.488	4.023	20	30		GIEDMO
N#Cc1ccc(NC(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)cc1F	ZINC000569628964	822947088	/nfs/dbraw/zinc/94/70/88/822947088.db2.gz	MGZDLMWBMBHMMW-UHFFFAOYSA-N	1	1	386.858	4.091	20	30		GIEDMO
N#Cc1ccc(NC(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)cc1F	ZINC000569628964	822947089	/nfs/dbraw/zinc/94/70/89/822947089.db2.gz	MGZDLMWBMBHMMW-UHFFFAOYSA-N	1	1	386.858	4.091	20	30		GIEDMO
COc1ccc(-c2nc3c(s2)[C@@H]([NH2+]Cc2nc(C#N)cs2)CCC3)cc1	ZINC000569771051	822966558	/nfs/dbraw/zinc/96/65/58/822966558.db2.gz	LBYDYAXBFWLXAX-HNNXBMFYSA-N	1	1	382.514	4.314	20	30		GIEDMO
C=CCn1c(-c2ccccc2)nnc1N1CCC(c2[nH+]cc3n2CCCC3)CC1	ZINC000569890282	822981179	/nfs/dbraw/zinc/98/11/79/822981179.db2.gz	IIGSIQNFFIAFFJ-UHFFFAOYSA-N	1	1	388.519	4.048	20	30		GIEDMO
CC(C)(CC#N)CNC(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1	ZINC000458361475	822986886	/nfs/dbraw/zinc/98/68/86/822986886.db2.gz	IXOBCTCUQBREED-UHFFFAOYSA-N	1	1	397.350	4.197	20	30		GIEDMO
C[N@@H+]([C@H]1CC[C@@H](C(F)(F)F)CC1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000570123984	823007888	/nfs/dbraw/zinc/00/78/88/823007888.db2.gz	PRTRHPWHIKZBAN-SOLBZPMBSA-N	1	1	379.426	4.107	20	30		GIEDMO
C[C@@H]1C[C@@H](N(C)C(=O)C2(c3ccc(C#N)cc3)CC2)CC[N@H+]1Cc1ccccc1	ZINC000187162732	823019468	/nfs/dbraw/zinc/01/94/68/823019468.db2.gz	DSYFYDSEJWAXIV-XXBNENTESA-N	1	1	387.527	4.101	20	30		GIEDMO
CN(CC(C)(C)C#N)C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1	ZINC000458372122	823033408	/nfs/dbraw/zinc/03/34/08/823033408.db2.gz	VEXAJPGSWMGLAD-UHFFFAOYSA-N	1	1	397.350	4.149	20	30		GIEDMO
C[C@@H]1C[C@@H](N(C)C(=O)c2ccc(Sc3ccccc3C#N)cc2)CC[N@H+]1C	ZINC000175764157	823034306	/nfs/dbraw/zinc/03/43/06/823034306.db2.gz	SEGFBUHJHAMCOV-APWZRJJASA-N	1	1	379.529	4.264	20	30		GIEDMO
Cc1cccc(C)c1NC(=O)CCC[N@H+]1CCCN(c2ccccc2C#N)CC1	ZINC000177895696	823543162	/nfs/dbraw/zinc/54/31/62/823543162.db2.gz	RDWAYDWOGUQALC-UHFFFAOYSA-N	1	1	390.531	4.106	20	30		GIEDMO
C[N@H+]1CC[C@@H](CNC(=O)C2(C#N)CCCCC2)[C@@H]1c1ccc(Cl)c(F)c1	ZINC000123965370	823556167	/nfs/dbraw/zinc/55/61/67/823556167.db2.gz	HXOAFHXBBGTIOI-YJBOKZPZSA-N	1	1	377.891	4.062	20	30		GIEDMO
C[C@H](CNCc1cccc(OCc2cccc(C#N)c2)c1)[N@@H+]1CCC[C@H](C)C1	ZINC000060976500	823570697	/nfs/dbraw/zinc/57/06/97/823570697.db2.gz	GDICQXZHBRTWQE-VQTJNVASSA-N	1	1	377.532	4.347	20	30		GIEDMO
C[C@H](CNCc1cccc(OCc2cccc(C#N)c2)c1)[N@H+]1CCC[C@H](C)C1	ZINC000060976500	823570699	/nfs/dbraw/zinc/57/06/99/823570699.db2.gz	GDICQXZHBRTWQE-VQTJNVASSA-N	1	1	377.532	4.347	20	30		GIEDMO
N#Cc1ccc(OC[C@@H](O)C[N@@H+](Cc2cccc(-c3cccnc3)c2)C2CC2)cc1	ZINC000124538451	823604552	/nfs/dbraw/zinc/60/45/52/823604552.db2.gz	WBIUNKODZVKZFM-DEOSSOPVSA-N	1	1	399.494	4.025	20	30		GIEDMO
C=CCOc1ccc(C(F)(F)F)cc1C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C	ZINC000461256328	823606002	/nfs/dbraw/zinc/60/60/02/823606002.db2.gz	HWFLFJYUNIDYIS-INIZCTEOSA-N	1	1	384.442	4.217	20	30		GIEDMO
CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)c1cccc(Nc2ccc(C#N)cc2)c1	ZINC000461269083	823609483	/nfs/dbraw/zinc/60/94/83/823609483.db2.gz	WVQSQGGCYCFZAY-QFIPXVFZSA-N	1	1	376.504	4.248	20	30		GIEDMO
N#Cc1cnc2ccc(Cl)cc2c1N1CCC[N@@H+](Cc2ccccc2)CC1	ZINC000461455046	823641092	/nfs/dbraw/zinc/64/10/92/823641092.db2.gz	BFTKZZPEYRUWOX-UHFFFAOYSA-N	1	1	376.891	4.472	20	30		GIEDMO
C[NH+](C)Cc1ccc(NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)cc1Br	ZINC000412271545	823642010	/nfs/dbraw/zinc/64/20/10/823642010.db2.gz	COTZXAJGBBXIIZ-ZWKOTPCHSA-N	1	1	398.304	4.125	20	30		GIEDMO
N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H]2c2ccc(Br)cc2)cc1	ZINC000063549418	823678828	/nfs/dbraw/zinc/67/88/28/823678828.db2.gz	VGUQSHDRNAUTEJ-LJQANCHMSA-N	1	1	398.304	4.486	20	30		GIEDMO
C[C@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(OC2CCCCC2)CC1	ZINC000125488870	823680217	/nfs/dbraw/zinc/68/02/17/823680217.db2.gz	HGRHDSKATGVULR-LJQANCHMSA-N	1	1	383.536	4.135	20	30		GIEDMO
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC([N@H+]2CCO[C@@H](C)C2)CC1	ZINC000191470843	823688626	/nfs/dbraw/zinc/68/86/26/823688626.db2.gz	MQGYHOOGLPMAKC-SFHVURJKSA-N	1	1	385.552	4.256	20	30		GIEDMO
CC(C)[N@H+](CC(=O)Nc1ccc(OC(F)(F)F)cc1)Cc1ccc(C#N)cc1	ZINC000063751221	823693574	/nfs/dbraw/zinc/69/35/74/823693574.db2.gz	RASVADRIXKPOBR-UHFFFAOYSA-N	1	1	391.393	4.306	20	30		GIEDMO
CC(C)[N@@H+](CC(=O)Nc1ccc(OC(F)(F)F)cc1)Cc1ccc(C#N)cc1	ZINC000063751221	823693575	/nfs/dbraw/zinc/69/35/75/823693575.db2.gz	RASVADRIXKPOBR-UHFFFAOYSA-N	1	1	391.393	4.306	20	30		GIEDMO
COc1ccc([C@H](NC(=O)C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)C2CC2)cc1	ZINC000063750758	823693590	/nfs/dbraw/zinc/69/35/90/823693590.db2.gz	SNSNLESVEKMLFM-XMMPIXPASA-N	1	1	391.515	4.045	20	30		GIEDMO
COCC[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(C(=O)Nc2ccccc2)c1	ZINC000063753465	823693596	/nfs/dbraw/zinc/69/35/96/823693596.db2.gz	YRCJJRYTPIOZSM-UHFFFAOYSA-N	1	1	399.494	4.459	20	30		GIEDMO
COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(C(=O)Nc2ccccc2)c1	ZINC000063753465	823693598	/nfs/dbraw/zinc/69/35/98/823693598.db2.gz	YRCJJRYTPIOZSM-UHFFFAOYSA-N	1	1	399.494	4.459	20	30		GIEDMO
C[C@H](C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1)c1cccc(C#N)c1	ZINC000461790372	823695766	/nfs/dbraw/zinc/69/57/66/823695766.db2.gz	HYUANMKYUSYPTL-KRWDZBQOSA-N	1	1	381.907	4.050	20	30		GIEDMO
C[C@H](C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1)c1cccc(C#N)c1	ZINC000461790372	823695769	/nfs/dbraw/zinc/69/57/69/823695769.db2.gz	HYUANMKYUSYPTL-KRWDZBQOSA-N	1	1	381.907	4.050	20	30		GIEDMO
N#CCCN(C(=O)C[N@H+](CCc1ccc(F)cc1)C1CC1)c1cccc(Cl)c1	ZINC000574579007	823770871	/nfs/dbraw/zinc/77/08/71/823770871.db2.gz	SHNCHOSCADDBDX-UHFFFAOYSA-N	1	1	399.897	4.433	20	30		GIEDMO
C[C@@H]([NH2+]Cc1cc(C#N)ccc1Br)c1cccc(N2CCCC2=O)c1	ZINC000191820873	823782438	/nfs/dbraw/zinc/78/24/38/823782438.db2.gz	CYJDWIGVFDPNQB-CQSZACIVSA-N	1	1	398.304	4.298	20	30		GIEDMO
C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCC(Oc2cc[nH+]cc2C)CC1	ZINC000413823840	823845827	/nfs/dbraw/zinc/84/58/27/823845827.db2.gz	BEUXTGBSMFLXIK-FQEVSTJZSA-N	1	1	379.504	4.130	20	30		GIEDMO
CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H](C)c1cccc(C#N)c1	ZINC000462192405	823863058	/nfs/dbraw/zinc/86/30/58/823863058.db2.gz	BUBLMYHAYNTQLW-DENIHFKCSA-N	1	1	375.516	4.032	20	30		GIEDMO
CC(C)[N@@H+](C)CC1CCN(C(=O)c2ccccc2-c2ccccc2C#N)CC1	ZINC000064738809	823876998	/nfs/dbraw/zinc/87/69/98/823876998.db2.gz	XAWWISDLPQUYNA-UHFFFAOYSA-N	1	1	375.516	4.418	20	30		GIEDMO
CC(C)[N@H+]1CCc2nc(CNc3cccc(OC(F)(F)F)c3C#N)sc2C1	ZINC000414294793	823953281	/nfs/dbraw/zinc/95/32/81/823953281.db2.gz	DVHTYFSSJGKGLL-UHFFFAOYSA-N	1	1	396.438	4.292	20	30		GIEDMO
Cc1ccc(C[NH2+]Cc2cnc3c(C#N)cnn3c2)c(O[C@H](C)CC(C)C)c1	ZINC000575868922	824016347	/nfs/dbraw/zinc/01/63/47/824016347.db2.gz	QGNDEQSZYHIROQ-QGZVFWFLSA-N	1	1	377.492	4.013	20	30		GIEDMO
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H](c1ccccc1)[NH+](C)C	ZINC000171020457	824039779	/nfs/dbraw/zinc/03/97/79/824039779.db2.gz	LUWDPQRXPGXWDY-NRFANRHFSA-N	1	1	386.455	4.295	20	30		GIEDMO
C[C@@H](c1ccc(C#N)cc1)[N@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3cccnc3)no2)C1	ZINC000328607531	206231748	/nfs/dbraw/zinc/23/17/48/206231748.db2.gz	WFTHDAWEHNOGSM-LERMDLETSA-N	1	1	385.471	4.118	20	30		GIEDMO
N#Cc1c(NC(=O)CC[N@@H+]2CCC[C@H](C(F)(F)F)C2)sc2c1CCCC2	ZINC000011218953	221113374	/nfs/dbraw/zinc/11/33/74/221113374.db2.gz	BJKJHWAQGDCMBH-LBPRGKRZSA-N	1	1	385.455	4.101	20	30		GIEDMO
C=CCN1C(=O)CC[C@]12CCC[N@@H+](C(C)(C)c1ccnc(Cl)c1)[C@@H]2CC	ZINC001164702710	719824573	/nfs/dbraw/zinc/82/45/73/719824573.db2.gz	SZVDAEKDDWSHSK-UTKZUKDTSA-N	1	1	375.944	4.392	20	30		GIEDMO
Cc1c(F)ccc2nc(Cl)c(C#N)c(N3CC4(C3)CC[N@@H+](CC3CC3)C4)c12	ZINC001164775243	721303789	/nfs/dbraw/zinc/30/37/89/721303789.db2.gz	UDTAFFIDCXYKQL-UHFFFAOYSA-N	1	1	384.886	4.130	20	30		GIEDMO
Cc1nc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c(Cl)cc1C#N	ZINC001165018763	721830821	/nfs/dbraw/zinc/83/08/21/721830821.db2.gz	AEVDWKAVZFSIDB-SCWSEQNSSA-N	1	1	395.938	4.047	20	30		GIEDMO
N#Cc1cc(F)c(Cl)nc1N1CCC[C@@]2(CC[N@@H+]2Cc2cccc(F)c2)C1	ZINC001164995500	722191957	/nfs/dbraw/zinc/19/19/57/722191957.db2.gz	VFHOIUNOIGCDHF-HXUWFJFHSA-N	1	1	388.849	4.130	20	30		GIEDMO
N#Cc1ccc2ccnc(N3CCC[C@@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)c2c1	ZINC001164993698	722198007	/nfs/dbraw/zinc/19/80/07/722198007.db2.gz	HXMNHZJUMBYWLR-XMMPIXPASA-N	1	1	386.474	4.490	20	30		GIEDMO
N#Cc1cc2c(nc1N1CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C1)CCCC2	ZINC001164996349	722207876	/nfs/dbraw/zinc/20/78/76/722207876.db2.gz	UFPLTZJTYRFYJE-DEOSSOPVSA-N	1	1	390.506	4.216	20	30		GIEDMO
C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](C)CC1(O)CCCCCC1	ZINC000187343657	823046545	/nfs/dbraw/zinc/04/65/45/823046545.db2.gz	QJZIDSGYBCBQBD-QGZVFWFLSA-N	1	1	389.565	4.036	20	30		GIEDMO
COc1ccc([C@@H]([NH2+][C@@H](C)C(=O)Nc2ccccc2C#N)c2ccccc2)cc1	ZINC000055941504	823069000	/nfs/dbraw/zinc/06/90/00/823069000.db2.gz	AMZUNHRAEJXIRA-SBUREZEXSA-N	1	1	385.467	4.273	20	30		GIEDMO
CC(C)[N@@H+]1CC[C@H](NC(=O)N(C)CC(C)(C)C#N)[C@H]1c1ccc(Cl)c(F)c1	ZINC000458647396	823069478	/nfs/dbraw/zinc/06/94/78/823069478.db2.gz	YQMDOBXEAFFSIF-ZWKOTPCHSA-N	1	1	394.922	4.194	20	30		GIEDMO
CC(C)[N@H+]1CC[C@H](NC(=O)N(C)CC(C)(C)C#N)[C@H]1c1ccc(Cl)c(F)c1	ZINC000458647396	823069484	/nfs/dbraw/zinc/06/94/84/823069484.db2.gz	YQMDOBXEAFFSIF-ZWKOTPCHSA-N	1	1	394.922	4.194	20	30		GIEDMO
Cc1ccc([C@H](NC(=O)C[NH+]2CCC(CCC#N)CC2)c2cccs2)cc1	ZINC000570713323	823074664	/nfs/dbraw/zinc/07/46/64/823074664.db2.gz	HUHWTDBUIFFUKF-QFIPXVFZSA-N	1	1	381.545	4.278	20	30		GIEDMO
N#CCCC1CCN(Cc2cncc(C[NH+]3CCC(CCC#N)CC3)c2)CC1	ZINC000570713608	823074723	/nfs/dbraw/zinc/07/47/23/823074723.db2.gz	UQZDSKKVOBXPKE-UHFFFAOYSA-N	1	1	379.552	4.113	20	30		GIEDMO
Cc1ccc([C@@H](NC(=O)C[NH+]2CCC(CCC#N)CC2)c2cccs2)cc1	ZINC000570713322	823074765	/nfs/dbraw/zinc/07/47/65/823074765.db2.gz	HUHWTDBUIFFUKF-JOCHJYFZSA-N	1	1	381.545	4.278	20	30		GIEDMO
CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)N[C@H](CCCC#N)c2ccccc2)C1	ZINC000458797852	823087025	/nfs/dbraw/zinc/08/70/25/823087025.db2.gz	HBRQTFWHZNLVKY-WOJBJXKFSA-N	1	1	379.508	4.227	20	30		GIEDMO
C[C@H]1C[C@@H](N(C)C(=O)c2cccc(SCC#N)c2)CC[N@H+]1Cc1ccccc1	ZINC000175992518	823090487	/nfs/dbraw/zinc/09/04/87/823090487.db2.gz	DPCOIMFYOZNZPJ-RXVVDRJESA-N	1	1	393.556	4.427	20	30		GIEDMO
Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)Nc2cc(C#N)cn2C(C)(C)C)cc1	ZINC000175994551	823090789	/nfs/dbraw/zinc/09/07/89/823090789.db2.gz	GSYIIJHMBINBEV-OAHLLOKOSA-N	1	1	390.491	4.492	20	30		GIEDMO
N#Cc1ccc(C[NH+]2CCC(OC[C@H]3CCCCO3)CC2)c(C(F)(F)F)c1	ZINC000571251840	823156003	/nfs/dbraw/zinc/15/60/03/823156003.db2.gz	SXAQXAWKXSJXIA-GOSISDBHSA-N	1	1	382.426	4.127	20	30		GIEDMO
Cc1oc(NC(=O)C[NH2+][C@@H](c2ccccc2)c2ccc(F)cc2)c(C#N)c1C	ZINC000121309868	823160440	/nfs/dbraw/zinc/16/04/40/823160440.db2.gz	WFYUIQFILQYXAX-NRFANRHFSA-N	1	1	377.419	4.225	20	30		GIEDMO
N#Cc1csc(C[N@@H+]2CCC[C@@H](c3nnc4ccc(C(F)(F)F)cn43)C2)c1	ZINC000121753032	823243346	/nfs/dbraw/zinc/24/33/46/823243346.db2.gz	DSABPZVZPYTQCC-CYBMUJFWSA-N	1	1	391.422	4.061	20	30		GIEDMO
N#CCCn1cc(C[N@@H+]2CCc3cccc(Cl)c3C2)c(-c2ccncc2)n1	ZINC000459716783	823255762	/nfs/dbraw/zinc/25/57/62/823255762.db2.gz	VTDFWSFGABSVFQ-UHFFFAOYSA-N	1	1	377.879	4.070	20	30		GIEDMO
N#CCCn1cc(C[N@H+]2CCc3cccc(Cl)c3C2)c(-c2ccncc2)n1	ZINC000459716783	823255768	/nfs/dbraw/zinc/25/57/68/823255768.db2.gz	VTDFWSFGABSVFQ-UHFFFAOYSA-N	1	1	377.879	4.070	20	30		GIEDMO
CC1(C)CCCc2cc(C#N)c(N3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)nc21	ZINC000409635465	823268755	/nfs/dbraw/zinc/26/87/55/823268755.db2.gz	LIIUCKSCPZYYHG-SFHVURJKSA-N	1	1	389.547	4.484	20	30		GIEDMO
C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@]2(CCSC2)C1	ZINC000571989833	823266169	/nfs/dbraw/zinc/26/61/69/823266169.db2.gz	PETYGFFRJPJFIA-OXQOHEQNSA-N	1	1	389.590	4.096	20	30		GIEDMO
C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCC[C@@]2(CCSC2)C1	ZINC000571989833	823266173	/nfs/dbraw/zinc/26/61/73/823266173.db2.gz	PETYGFFRJPJFIA-OXQOHEQNSA-N	1	1	389.590	4.096	20	30		GIEDMO
CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](Cc1ccccc1O)[C@@H](C)c1ccccc1	ZINC000176679690	823266156	/nfs/dbraw/zinc/26/61/56/823266156.db2.gz	WXXFTSYZUYIWCF-FDDCHVKYSA-N	1	1	379.504	4.010	20	30		GIEDMO
C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+](C)Cc1ccc(OC(F)F)cc1	ZINC000014929177	818277659	/nfs/dbraw/zinc/27/76/59/818277659.db2.gz	HWJILUDWRUYLPH-LBPRGKRZSA-N	1	1	393.821	4.272	20	30		GIEDMO
C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+](C)Cc1ccc(OC(F)F)cc1	ZINC000014929177	818277666	/nfs/dbraw/zinc/27/76/66/818277666.db2.gz	HWJILUDWRUYLPH-LBPRGKRZSA-N	1	1	393.821	4.272	20	30		GIEDMO
N#Cc1c(NC(=O)CC[N@@H+]2CCC[C@H](C(F)(F)F)C2)sc2c1CCCCC2	ZINC000016591202	818456923	/nfs/dbraw/zinc/45/69/23/818456923.db2.gz	QBYKHQXOVOMCNF-ZDUSSCGKSA-N	1	1	399.482	4.492	20	30		GIEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Nc3ccc4ccccc4c3)CC2)cc1	ZINC000122594582	823378511	/nfs/dbraw/zinc/37/85/11/823378511.db2.gz	GOKJSTIIDSVWDY-UHFFFAOYSA-N	1	1	384.483	4.451	20	30		GIEDMO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3cc(Cl)cc(Cl)c3)CC2)cc1	ZINC000023752811	818980029	/nfs/dbraw/zinc/98/00/29/818980029.db2.gz	VMGMNSMRZFJNCI-UHFFFAOYSA-N	1	1	388.298	4.213	20	30		GIEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cc(Cl)cc(Cl)c3)CC2)cc1	ZINC000023752811	818980034	/nfs/dbraw/zinc/98/00/34/818980034.db2.gz	VMGMNSMRZFJNCI-UHFFFAOYSA-N	1	1	388.298	4.213	20	30		GIEDMO
C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)Cc1ccccc1F	ZINC000023777634	818983819	/nfs/dbraw/zinc/98/38/19/818983819.db2.gz	DCVUBJUYGHVXLK-UHFFFAOYSA-N	1	1	385.508	4.488	20	30		GIEDMO
C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	ZINC000177149976	823383594	/nfs/dbraw/zinc/38/35/94/823383594.db2.gz	CNSPFWWLXICGCY-VQIMIIECSA-N	1	1	376.460	4.051	20	30		GIEDMO
N#Cc1ccc(OC2CC[NH+](Cc3c(C4CC4)nc4sccn34)CC2)c(F)c1	ZINC000572887168	823414100	/nfs/dbraw/zinc/41/41/00/823414100.db2.gz	KLBPQHOUPKRGHU-UHFFFAOYSA-N	1	1	396.491	4.327	20	30		GIEDMO
C=CCn1c(C2CCC2)nnc1N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1	ZINC000573021102	823434690	/nfs/dbraw/zinc/43/46/90/823434690.db2.gz	KRZHOWVZPTUYBH-WIYYLYMNSA-N	1	1	379.552	4.221	20	30		GIEDMO
Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+](C)Cc2ccccc2)c1C#N	ZINC000123030253	823450352	/nfs/dbraw/zinc/45/03/52/823450352.db2.gz	BMVYAZZSKBTVLK-UHFFFAOYSA-N	1	1	390.487	4.079	20	30		GIEDMO
C[C@@H](NC(=O)C[N@H+](C)Cc1cccc(C#N)c1)c1ccc(Cl)c(Cl)c1	ZINC000026325694	820083874	/nfs/dbraw/zinc/08/38/74/820083874.db2.gz	AHHICUHGFNRORH-CYBMUJFWSA-N	1	1	376.287	4.174	20	30		GIEDMO
C[C@@H](NC(=O)C[N@@H+](C)Cc1cccc(C#N)c1)c1ccc(Cl)c(Cl)c1	ZINC000026325694	820083884	/nfs/dbraw/zinc/08/38/84/820083884.db2.gz	AHHICUHGFNRORH-CYBMUJFWSA-N	1	1	376.287	4.174	20	30		GIEDMO
N#Cc1ccc(C[N@@H+]2CCCN(c3ccnc4cc(Cl)ccc43)CC2)cc1	ZINC000028620797	820345963	/nfs/dbraw/zinc/34/59/63/820345963.db2.gz	FSGZHQNQNZPZLW-UHFFFAOYSA-N	1	1	376.891	4.472	20	30		GIEDMO
Cc1cc(CNc2c(C#N)cnc3c(F)ccc(Cl)c32)cc(N2CCCC2)[nH+]1	ZINC000573260855	823472546	/nfs/dbraw/zinc/47/25/46/823472546.db2.gz	OKNMRBMLHRXUJP-UHFFFAOYSA-N	1	1	395.869	4.237	20	30		GIEDMO
C=CCCc1ccccc1NC(=O)c1ccc(N2CC[NH+](CC)CC2)c(F)c1	ZINC000410357603	823473071	/nfs/dbraw/zinc/47/30/71/823473071.db2.gz	AYDPSQPMYJVGTI-UHFFFAOYSA-N	1	1	381.495	4.339	20	30		GIEDMO
CC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C1	ZINC000177540242	823486201	/nfs/dbraw/zinc/48/62/01/823486201.db2.gz	ADNINXNSEPNJGL-GOSISDBHSA-N	1	1	378.476	4.156	20	30		GIEDMO
C=CCn1c(C)cc(C(=O)C[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)c1C	ZINC000029827386	820526786	/nfs/dbraw/zinc/52/67/86/820526786.db2.gz	WQQOZJGBJVEQEY-GOSISDBHSA-N	1	1	377.488	4.494	20	30		GIEDMO
C=CCn1c(C)cc(C(=O)C[N@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)c1C	ZINC000029827386	820526791	/nfs/dbraw/zinc/52/67/91/820526791.db2.gz	WQQOZJGBJVEQEY-GOSISDBHSA-N	1	1	377.488	4.494	20	30		GIEDMO
CCC[N@H+](CC(=O)Nc1cc(C)c(Cl)cc1OC)Cc1ccc(C#N)cc1	ZINC000573464184	823493161	/nfs/dbraw/zinc/49/31/61/823493161.db2.gz	TZKJVCKAMDQRKL-UHFFFAOYSA-N	1	1	385.895	4.379	20	30		GIEDMO
CCC[N@@H+](CC(=O)Nc1cc(C)c(Cl)cc1OC)Cc1ccc(C#N)cc1	ZINC000573464184	823493162	/nfs/dbraw/zinc/49/31/62/823493162.db2.gz	TZKJVCKAMDQRKL-UHFFFAOYSA-N	1	1	385.895	4.379	20	30		GIEDMO
C=CCc1cccc(C(C)C)c1NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000189901460	823511956	/nfs/dbraw/zinc/51/19/56/823511956.db2.gz	YBLUBTPQQVHYAQ-JOCHJYFZSA-N	1	1	378.516	4.378	20	30		GIEDMO
C=CCc1cccc(C(C)C)c1NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000189901460	823511961	/nfs/dbraw/zinc/51/19/61/823511961.db2.gz	YBLUBTPQQVHYAQ-JOCHJYFZSA-N	1	1	378.516	4.378	20	30		GIEDMO
N#Cc1ccccc1CSCC[NH2+]C1CCN(CCc2ccccc2)CC1	ZINC000177821536	823531055	/nfs/dbraw/zinc/53/10/55/823531055.db2.gz	SYPYFFQPUREGPO-UHFFFAOYSA-N	1	1	379.573	4.088	20	30		GIEDMO
CCOC(=O)CC[C@@H]1CCC[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1	ZINC000180805935	821468786	/nfs/dbraw/zinc/46/87/86/821468786.db2.gz	KREZNXTYXZLVPK-IBGZPJMESA-N	1	1	394.519	4.019	20	30		GIEDMO
COc1cc(C)c([C@@H](C)[NH2+]Cc2ccc(C#N)cc2Br)cc1OC	ZINC000181226435	821705677	/nfs/dbraw/zinc/70/56/77/821705677.db2.gz	MVAHCPMEXLWADG-CYBMUJFWSA-N	1	1	389.293	4.497	20	30		GIEDMO
CC(C)COC[C@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1ccco1	ZINC000181644105	821919620	/nfs/dbraw/zinc/91/96/20/821919620.db2.gz	MYAMROSLKVQHRE-QFIPXVFZSA-N	1	1	381.520	4.119	20	30		GIEDMO
CC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)C1	ZINC000178022242	822287038	/nfs/dbraw/zinc/28/70/38/822287038.db2.gz	KOEOKUYJRCFXHI-LJQANCHMSA-N	1	1	392.503	4.465	20	30		GIEDMO
CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1	ZINC000182871259	822383313	/nfs/dbraw/zinc/38/33/13/822383313.db2.gz	YBGVWGZBFCHORQ-GHTZIAJQSA-N	1	1	382.552	4.131	20	30		GIEDMO
Cc1c(C#N)cccc1NC(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1	ZINC000178552877	822391122	/nfs/dbraw/zinc/39/11/22/822391122.db2.gz	JMADLAGWFOTLTP-UHFFFAOYSA-N	1	1	376.504	4.039	20	30		GIEDMO
C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N(C)Cc1cccc(C#N)c1	ZINC000045780739	822412959	/nfs/dbraw/zinc/41/29/59/822412959.db2.gz	KLMWSXMRCPINRK-IBGZPJMESA-N	1	1	390.531	4.274	20	30		GIEDMO
C=CCOc1ccc(C[N@H+]2CCC[C@@H](c3nnc4ccccn43)C2)cc1Cl	ZINC000179776337	822550578	/nfs/dbraw/zinc/55/05/78/822550578.db2.gz	PULOJLHCFCDUQH-QGZVFWFLSA-N	1	1	382.895	4.327	20	30		GIEDMO
COc1cccc(F)c1[C@H](C)[NH2+]CC(=O)N(CCC#N)c1ccc(C)c(C)c1	ZINC000179890596	822572277	/nfs/dbraw/zinc/57/22/77/822572277.db2.gz	IBSYYVVFRAVBBX-KRWDZBQOSA-N	1	1	383.467	4.049	20	30		GIEDMO
Cn1cc(C[N@@H+]2CCn3cccc3[C@@H]2c2ccccc2)c(-c2ccc(C#N)cc2)n1	ZINC000179936255	822580580	/nfs/dbraw/zinc/58/05/80/822580580.db2.gz	JEIUKGYIYJVRJZ-VWLOTQADSA-N	1	1	393.494	4.365	20	30		GIEDMO
Cn1cc(C[N@H+]2CCn3cccc3[C@@H]2c2ccccc2)c(-c2ccc(C#N)cc2)n1	ZINC000179936255	822580583	/nfs/dbraw/zinc/58/05/83/822580583.db2.gz	JEIUKGYIYJVRJZ-VWLOTQADSA-N	1	1	393.494	4.365	20	30		GIEDMO
Cn1cc(C[N@H+](Cc2ccccc2)C[C@@H]2CCCO2)c(-c2ccc(C#N)cc2)n1	ZINC000179977743	822589283	/nfs/dbraw/zinc/58/92/83/822589283.db2.gz	DEDNABSTYMOAGV-QHCPKHFHSA-N	1	1	386.499	4.140	20	30		GIEDMO
COc1cc(Br)cc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)c1O	ZINC000180028764	822600429	/nfs/dbraw/zinc/60/04/29/822600429.db2.gz	UYZOPRLEBJVEMP-UHFFFAOYSA-N	1	1	387.277	4.200	20	30		GIEDMO
C[C@H](C#N)Oc1ccccc1NC(=O)NC(C)(C)C[N@@H+](C)Cc1ccccc1	ZINC000184346010	822619639	/nfs/dbraw/zinc/61/96/39/822619639.db2.gz	XJNFYGOFUGLAJI-QGZVFWFLSA-N	1	1	380.492	4.010	20	30		GIEDMO
CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)Nc1ccccc1O[C@H](C)C#N	ZINC000184359444	822621769	/nfs/dbraw/zinc/62/17/69/822621769.db2.gz	WIKVZLMRSRDMJC-QGZVFWFLSA-N	1	1	380.492	4.139	20	30		GIEDMO
CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)Nc1ccccc1O[C@@H](C)C#N	ZINC000184359425	822621802	/nfs/dbraw/zinc/62/18/02/822621802.db2.gz	WIKVZLMRSRDMJC-KRWDZBQOSA-N	1	1	380.492	4.139	20	30		GIEDMO
CSCC[C@H]([NH2+]Cc1ccccc1C(C)(C)C#N)c1nnc2ccccn21	ZINC000184601738	822664282	/nfs/dbraw/zinc/66/42/82/822664282.db2.gz	PQJJPQORIXUYEI-SFHVURJKSA-N	1	1	379.533	4.114	20	30		GIEDMO
CCN(CCC#N)C(=O)C[NH2+][C@H](C)c1nc(-c2ccc(Cl)cc2)c(C)s1	ZINC000184954426	822717883	/nfs/dbraw/zinc/71/78/83/822717883.db2.gz	YYIMIKWHLMZTQU-CYBMUJFWSA-N	1	1	390.940	4.185	20	30		GIEDMO
C[C@H]1CCN(C(=O)C(C)(C)Cc2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1	ZINC000455808310	822730129	/nfs/dbraw/zinc/73/01/29/822730129.db2.gz	AGZQARKOLIDGDO-FQEVSTJZSA-N	1	1	389.543	4.250	20	30		GIEDMO
Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)C(C)(C)Cc2ccc(C#N)cc2)cc1	ZINC000455862489	822739147	/nfs/dbraw/zinc/73/91/47/822739147.db2.gz	CXSRWHSUMDYRMY-KRWDZBQOSA-N	1	1	386.499	4.499	20	30		GIEDMO
C[C@@H]1CC[N@@H+](C)CCN1C(=O)Nc1ccc(Sc2ccccc2C#N)cc1	ZINC000455935519	822752790	/nfs/dbraw/zinc/75/27/90/822752790.db2.gz	AZXKHLUGXFDBGB-MRXNPFEDSA-N	1	1	380.517	4.267	20	30		GIEDMO
C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@@H](c1ncc(C)s1)C1CC1	ZINC000185309460	822763418	/nfs/dbraw/zinc/76/34/18/822763418.db2.gz	JUZRYHVLZABSMS-WMLDXEAASA-N	1	1	375.563	4.157	20	30		GIEDMO
Cc1cnc([C@@H]([NH2+]CC(=O)N(CCC#N)c2cccc(Cl)c2)C2CC2)s1	ZINC000185329989	822766907	/nfs/dbraw/zinc/76/69/07/822766907.db2.gz	MYRSYCBTEQEWLH-SFHVURJKSA-N	1	1	388.924	4.093	20	30		GIEDMO
CCC[N@@H+](Cc1ccccc1O)[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1	ZINC000174372547	822779808	/nfs/dbraw/zinc/77/98/08/822779808.db2.gz	ZPFQRXKQADUMPY-KRWDZBQOSA-N	1	1	383.467	4.079	20	30		GIEDMO
Cc1ccc(OC2CC[NH+](CC(=O)N(CCC#N)c3ccccc3)CC2)cc1C	ZINC000051992228	822786211	/nfs/dbraw/zinc/78/62/11/822786211.db2.gz	OHQFWTWKXXRGCB-UHFFFAOYSA-N	1	1	391.515	4.094	20	30		GIEDMO
C[C@@H]1CN(C(=O)C[C@@H](CC#N)c2ccccc2)CC[N@@H+](Cc2ccccc2)C1	ZINC000456329593	822798932	/nfs/dbraw/zinc/79/89/32/822798932.db2.gz	IQEQGQHBUMKOIP-NZQKXSOJSA-N	1	1	375.516	4.054	20	30		GIEDMO
O=C(C[N@@H+]1CCC[C@@H]1c1ccsc1)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000052803920	822811076	/nfs/dbraw/zinc/81/10/76/822811076.db2.gz	JWBDYJPNOKHOBP-GOSISDBHSA-N	1	1	392.446	4.072	20	30		GIEDMO
O=C(C[N@H+]1CCC[C@@H]1c1ccsc1)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000052803920	822811078	/nfs/dbraw/zinc/81/10/78/822811078.db2.gz	JWBDYJPNOKHOBP-GOSISDBHSA-N	1	1	392.446	4.072	20	30		GIEDMO
C[C@]1(Cc2ccccc2)CCC[N@H+]1CC(=O)Nc1ccccc1SCC#N	ZINC000186046194	822846880	/nfs/dbraw/zinc/84/68/80/822846880.db2.gz	LAIFTNFHQQBYNW-JOCHJYFZSA-N	1	1	379.529	4.338	20	30		GIEDMO
N#CCCn1cc(C(=O)C[N@@H+](C[C@@H]2CCCO2)C2CCCC2)c2ccccc21	ZINC000174876493	822849696	/nfs/dbraw/zinc/84/96/96/822849696.db2.gz	AXJDQDZXQCMUMD-IBGZPJMESA-N	1	1	379.504	4.161	20	30		GIEDMO
CC(C)[N@H+]1CC[C@H](N(C)C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)C1	ZINC000457103362	822853431	/nfs/dbraw/zinc/85/34/31/822853431.db2.gz	ATFWNZRKCICPJB-KRWDZBQOSA-N	1	1	381.451	4.044	20	30		GIEDMO
Cc1cc(C#N)ccc1C[N@H+]1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1	ZINC000186286061	822870765	/nfs/dbraw/zinc/87/07/65/822870765.db2.gz	ANRTXMPXJXLVQT-IBGZPJMESA-N	1	1	376.435	4.435	20	30		GIEDMO
N#CCCC[C@@H]([NH2+]Cc1ncc(I)s1)c1ccccc1	ZINC000569030053	822870999	/nfs/dbraw/zinc/87/09/99/822870999.db2.gz	DSJWLQZZCPLITG-CYBMUJFWSA-N	1	1	397.285	4.272	20	30		GIEDMO
Cc1cc(C#N)ccc1C[N@H+]1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1	ZINC000186288533	822871327	/nfs/dbraw/zinc/87/13/27/822871327.db2.gz	XRGPLUGMWTZMKY-SFHVURJKSA-N	1	1	380.467	4.040	20	30		GIEDMO
COc1ccccc1[C@@H](CNC(=O)N[C@@H](CCCC#N)c1ccccc1)[NH+](C)C	ZINC000457452995	822876426	/nfs/dbraw/zinc/87/64/26/822876426.db2.gz	IQDGDVQESRGRAV-LEWJYISDSA-N	1	1	394.519	4.032	20	30		GIEDMO
CC[N@@H+](CC(=O)N(C)Cc1ccc(Cl)s1)[C@@H](C)c1ccc(C#N)cc1	ZINC000054340533	822876956	/nfs/dbraw/zinc/87/69/56/822876956.db2.gz	OVOGOBQMDMHZMS-AWEZNQCLSA-N	1	1	375.925	4.315	20	30		GIEDMO
CC[N@@H+](CC(=O)N(C)Cc1ccc(SC)cc1)[C@H](C)c1ccc(C#N)cc1	ZINC000054340261	822877172	/nfs/dbraw/zinc/87/71/72/822877172.db2.gz	QEZRZKXUZWGWFG-QGZVFWFLSA-N	1	1	381.545	4.322	20	30		GIEDMO
CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CSc1ccc(C#N)cc1	ZINC000175286682	822924803	/nfs/dbraw/zinc/92/48/03/822924803.db2.gz	VNLDVNALAGVRAK-OAQYLSRUSA-N	1	1	393.556	4.021	20	30		GIEDMO
CCC[N@@H+](Cc1ccc(C#N)cc1)[C@@H](C)C(=O)Nc1ccccc1OC(F)F	ZINC000411168078	823553791	/nfs/dbraw/zinc/55/37/91/823553791.db2.gz	PHLMZDLRXWDFTB-HNNXBMFYSA-N	1	1	387.430	4.399	20	30		GIEDMO
C=CCc1cc(C[NH2+][C@@H](C)c2nc(-c3ccncc3)cs2)cc(OC)c1O	ZINC000124064570	823564390	/nfs/dbraw/zinc/56/43/90/823564390.db2.gz	XUYLEANORJEADI-AWEZNQCLSA-N	1	1	381.501	4.499	20	30		GIEDMO
CSc1ccccc1OC[C@@H](O)C[N@@H+](Cc1cc(C#N)ccc1F)C(C)C	ZINC000411977159	823617430	/nfs/dbraw/zinc/61/74/30/823617430.db2.gz	AOCMQTCEJSMOCM-SFHVURJKSA-N	1	1	388.508	4.070	20	30		GIEDMO
CSc1ccccc1OC[C@H](O)C[N@H+](Cc1cccc(F)c1C#N)C(C)C	ZINC000411983954	823617982	/nfs/dbraw/zinc/61/79/82/823617982.db2.gz	MBFNABUGNJDZIB-QGZVFWFLSA-N	1	1	388.508	4.070	20	30		GIEDMO
CSc1ccccc1OC[C@H](O)C[N@@H+](Cc1cccc(F)c1C#N)C(C)C	ZINC000411983954	823617983	/nfs/dbraw/zinc/61/79/83/823617983.db2.gz	MBFNABUGNJDZIB-QGZVFWFLSA-N	1	1	388.508	4.070	20	30		GIEDMO
CSc1ccccc1OC[C@H](O)C[N@@H+](Cc1cccc(C#N)c1F)C(C)C	ZINC000411990367	823618718	/nfs/dbraw/zinc/61/87/18/823618718.db2.gz	VXGRIKCGBKSRLZ-GOSISDBHSA-N	1	1	388.508	4.070	20	30		GIEDMO
N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)c1	ZINC000412194747	823634629	/nfs/dbraw/zinc/63/46/29/823634629.db2.gz	ONLXPPUPKFWUPG-ZFFYZDHPSA-N	1	1	399.538	4.175	20	30		GIEDMO
N#Cc1ccc(Cl)c(C(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1	ZINC000461466408	823643194	/nfs/dbraw/zinc/64/31/94/823643194.db2.gz	IVXXKHCZNDZMJO-IBGZPJMESA-N	1	1	381.907	4.244	20	30		GIEDMO
C=CCc1cccc(C(C)C)c1NC(=O)N(C)CC(C)(C)C[NH+]1CCOCC1	ZINC000191479706	823689342	/nfs/dbraw/zinc/68/93/42/823689342.db2.gz	WYAGMQKQOYOEEM-UHFFFAOYSA-N	1	1	387.568	4.361	20	30		GIEDMO
COC(=O)[C@@H](C)Oc1ccc(/C=C/C(=O)c2ccc(-n3cc[nH+]c3C)cc2)cc1	ZINC000125607762	823689617	/nfs/dbraw/zinc/68/96/17/823689617.db2.gz	LJOSZHQQOJVKRZ-MSXUNZPYSA-N	1	1	390.439	4.017	20	30		GIEDMO
CC(C)OCc1ccc(CNC(=O)C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)cc1	ZINC000063750511	823693566	/nfs/dbraw/zinc/69/35/66/823693566.db2.gz	LTLYUCCZCZOKKK-UHFFFAOYSA-N	1	1	393.531	4.010	20	30		GIEDMO
CCOC(=O)c1oc2ccccc2c1C[N@H+](CCOC)Cc1ccc(C#N)cc1	ZINC000063754537	823693794	/nfs/dbraw/zinc/69/37/94/823693794.db2.gz	RGCKCIYFZWBXRG-UHFFFAOYSA-N	1	1	392.455	4.130	20	30		GIEDMO
CCOC(=O)c1oc2ccccc2c1C[N@@H+](CCOC)Cc1ccc(C#N)cc1	ZINC000063754537	823693796	/nfs/dbraw/zinc/69/37/96/823693796.db2.gz	RGCKCIYFZWBXRG-UHFFFAOYSA-N	1	1	392.455	4.130	20	30		GIEDMO
C[C@H](C(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)c1cccc(C#N)c1	ZINC000461904065	823746923	/nfs/dbraw/zinc/74/69/23/823746923.db2.gz	SQCKMMYKHFWHBP-OALUTQOASA-N	1	1	375.516	4.353	20	30		GIEDMO
C[C@@H](C(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1)c1cccc(C#N)c1	ZINC000461910134	823750480	/nfs/dbraw/zinc/75/04/80/823750480.db2.gz	TVOPBQTVGXASRV-RBUKOAKNSA-N	1	1	375.516	4.210	20	30		GIEDMO
C=CCN(Cc1ccc(OC)cc1)C(=O)NCc1cccc(C[N@H+](C)CC)c1	ZINC000064229302	823775901	/nfs/dbraw/zinc/77/59/01/823775901.db2.gz	XEJGLQCKKZYVBQ-UHFFFAOYSA-N	1	1	381.520	4.045	20	30		GIEDMO
C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccccc2Sc2ccccc2C#N)C1	ZINC000164140604	823780815	/nfs/dbraw/zinc/78/08/15/823780815.db2.gz	ZWEQNMHLNLMZHY-QUCCMNQESA-N	1	1	391.540	4.266	20	30		GIEDMO
COc1cc(C)c([C@H](C)[NH2+]Cc2cc(C#N)ccc2Br)cc1OC	ZINC000191820488	823781867	/nfs/dbraw/zinc/78/18/67/823781867.db2.gz	YUBUSXFHVHSAKU-ZDUSSCGKSA-N	1	1	389.293	4.497	20	30		GIEDMO
C[N@@H+](CCC(F)(F)F)[C@@H](CNc1cnc(C#N)cn1)c1ccc(Cl)cc1	ZINC000574712739	823806427	/nfs/dbraw/zinc/80/64/27/823806427.db2.gz	IMCORDYZERDFEC-HNNXBMFYSA-N	1	1	383.805	4.039	20	30		GIEDMO
CCc1nc2c(s1)[C@@H]([N@@H+](C)Cn1c(C)nnc1-c1cccc(C#N)c1)CCC2	ZINC000126285918	823830177	/nfs/dbraw/zinc/83/01/77/823830177.db2.gz	PIFFWSYYNWQXTA-SFHVURJKSA-N	1	1	392.532	4.111	20	30		GIEDMO
CC(C)[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)Cc1ccccn1	ZINC000165440937	823848838	/nfs/dbraw/zinc/84/88/38/823848838.db2.gz	SNOLWASECKQTIH-UHFFFAOYSA-N	1	1	382.533	4.133	20	30		GIEDMO
C=C(C)CN(CC)C(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1	ZINC000413875657	823854896	/nfs/dbraw/zinc/85/48/96/823854896.db2.gz	JTZGWPWSMJHEOX-UHFFFAOYSA-N	1	1	394.357	4.021	20	30		GIEDMO
N#Cc1ccc(C[N@@H+]2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)cc1F	ZINC000192097331	823859214	/nfs/dbraw/zinc/85/92/14/823859214.db2.gz	KQAPKPKIIFSVJQ-KRWDZBQOSA-N	1	1	380.398	4.266	20	30		GIEDMO
CCN(C(=O)[C@H](C)c1cccc(C#N)c1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1	ZINC000462250029	823897710	/nfs/dbraw/zinc/89/77/10/823897710.db2.gz	YHKHGLMECXHKIC-DNVFCKCGSA-N	1	1	375.516	4.346	20	30		GIEDMO
N#Cc1cnn2cc(C[N@H+]3CCCC[C@H]3c3ccccc3C(F)(F)F)cnc12	ZINC000575123964	823917505	/nfs/dbraw/zinc/91/75/05/823917505.db2.gz	GYPDJXLNKYWXED-SFHVURJKSA-N	1	1	385.393	4.347	20	30		GIEDMO
N#Cc1cnn2cc(C[N@@H+]3CCCC[C@H]3c3ccccc3C(F)(F)F)cnc12	ZINC000575123964	823917514	/nfs/dbraw/zinc/91/75/14/823917514.db2.gz	GYPDJXLNKYWXED-SFHVURJKSA-N	1	1	385.393	4.347	20	30		GIEDMO
C[C@@H](C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1)c1cccc(C#N)c1	ZINC000462336177	823929637	/nfs/dbraw/zinc/92/96/37/823929637.db2.gz	AKHUIWJFBFUTTP-CYBMUJFWSA-N	1	1	386.293	4.125	20	30		GIEDMO
CC(C)C[N@@H+](CCC(=O)Nc1sccc1C#N)[C@H]1CCCc2cccnc21	ZINC000126987307	823995541	/nfs/dbraw/zinc/99/55/41/823995541.db2.gz	IKZLNWOXZDUKCP-SFHVURJKSA-N	1	1	382.533	4.379	20	30		GIEDMO
C[C@@H](Cc1ccccc1Cl)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000127004533	823998654	/nfs/dbraw/zinc/99/86/54/823998654.db2.gz	ILFARFLXKOULSD-SFHVURJKSA-N	1	1	395.934	4.125	20	30		GIEDMO
C[C@@H](Cc1ccccc1Cl)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000127004533	823998658	/nfs/dbraw/zinc/99/86/58/823998658.db2.gz	ILFARFLXKOULSD-SFHVURJKSA-N	1	1	395.934	4.125	20	30		GIEDMO
COc1ccc(C[N@@H+](C)Cc2cn(CCC#N)nc2-c2ccncc2)cc1Cl	ZINC000414545711	824007551	/nfs/dbraw/zinc/00/75/51/824007551.db2.gz	FTLBFHXUAICEJR-UHFFFAOYSA-N	1	1	395.894	4.153	20	30		GIEDMO
C=CCOc1c(Br)cc(C[N@@H+]2CCC[C@@H](CO)[C@@H]2C)cc1OCC	ZINC000414563508	824013644	/nfs/dbraw/zinc/01/36/44/824013644.db2.gz	CTYCWPZARDVWQR-HOCLYGCPSA-N	1	1	398.341	4.005	20	30		GIEDMO
C=CCOc1c(Br)cc(C[N@H+]2CCC[C@@H](CO)[C@@H]2C)cc1OCC	ZINC000414563508	824013647	/nfs/dbraw/zinc/01/36/47/824013647.db2.gz	CTYCWPZARDVWQR-HOCLYGCPSA-N	1	1	398.341	4.005	20	30		GIEDMO
C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCCc2ccccc2C1	ZINC000170987795	824028665	/nfs/dbraw/zinc/02/86/65/824028665.db2.gz	BKMRPHMDCKBCLB-KRWDZBQOSA-N	1	1	379.529	4.325	20	30		GIEDMO
C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCCc2ccccc2C1	ZINC000170987795	824028667	/nfs/dbraw/zinc/02/86/67/824028667.db2.gz	BKMRPHMDCKBCLB-KRWDZBQOSA-N	1	1	379.529	4.325	20	30		GIEDMO
C[C@H]1C[N@H+](C)[C@@H](C)CN1C(F)(F)c1cnc(Cl)c(-c2cccc(C#N)c2)c1	ZINC001164633334	719257259	/nfs/dbraw/zinc/25/72/59/719257259.db2.gz	LBKSRVDYCPRDIJ-KBPBESRZSA-N	1	1	390.865	4.347	20	30		GIEDMO
C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(F)(F)c1cnc(Cl)c(-c2cccc(C#N)c2)c1	ZINC001164633334	719257263	/nfs/dbraw/zinc/25/72/63/719257263.db2.gz	LBKSRVDYCPRDIJ-KBPBESRZSA-N	1	1	390.865	4.347	20	30		GIEDMO
C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nccc4ccc(C#N)cc43)C[C@H]21	ZINC001165029509	721808772	/nfs/dbraw/zinc/80/87/72/721808772.db2.gz	ZOCMSSDQLZVGEX-TUACAJSNSA-N	1	1	397.526	4.238	20	30		GIEDMO
C[N@@H+](CCc1cccc(NC(=O)C(C)(C)c2cc(F)cc(C#N)c2)c1)C1CC1	ZINC000570535899	823051146	/nfs/dbraw/zinc/05/11/46/823051146.db2.gz	CCNXBRCEEJVXBW-UHFFFAOYSA-N	1	1	379.479	4.250	20	30		GIEDMO
C[C@H](NC(=O)N[C@@H](CCCC#N)c1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1	ZINC000458630570	823067082	/nfs/dbraw/zinc/06/70/82/823067082.db2.gz	KKKKOWDSGYCHFY-VCOUNFBDSA-N	1	1	382.552	4.374	20	30		GIEDMO
C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1	ZINC000120923424	823087239	/nfs/dbraw/zinc/08/72/39/823087239.db2.gz	PBVBMCTZXLFRGC-YWZLYKJASA-N	1	1	397.906	4.416	20	30		GIEDMO
N#Cc1cccc(COc2cccc(C[N@@H+]3CC[C@H](n4cc(Cl)cn4)C3)c2)c1	ZINC000570893065	823103429	/nfs/dbraw/zinc/10/34/29/823103429.db2.gz	PGMIHZQYNVDUIY-NRFANRHFSA-N	1	1	392.890	4.434	20	30		GIEDMO
CCOc1cc(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)cc(Cl)c1O	ZINC000459333655	823163377	/nfs/dbraw/zinc/16/33/77/823163377.db2.gz	ZOCWEUNMCAMKDR-UHFFFAOYSA-N	1	1	386.879	4.359	20	30		GIEDMO
COC[C@@H](Cc1ccccc1)[N@@H+](C)Cc1cn(CCC#N)nc1-c1ccccc1	ZINC000187992000	823168351	/nfs/dbraw/zinc/16/83/51/823168351.db2.gz	XKJMEVGNEPJEIM-HSZRJFAPSA-N	1	1	388.515	4.153	20	30		GIEDMO
C[C@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1CC(=O)Nc1ccccc1SCC#N	ZINC000121471579	823190694	/nfs/dbraw/zinc/19/06/94/823190694.db2.gz	PDYGRIUTVHAXOB-RDJZCZTQSA-N	1	1	383.492	4.258	20	30		GIEDMO
C[C@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1CC(=O)Nc1ccccc1SCC#N	ZINC000121471579	823190696	/nfs/dbraw/zinc/19/06/96/823190696.db2.gz	PDYGRIUTVHAXOB-RDJZCZTQSA-N	1	1	383.492	4.258	20	30		GIEDMO
CC[N@H+]1CC[C@@H](CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C1	ZINC000056750698	823206985	/nfs/dbraw/zinc/20/69/85/823206985.db2.gz	XREBZFPVWYCGEG-INIZCTEOSA-N	1	1	398.894	4.467	20	30		GIEDMO
C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2ccn(-c3cccc(C#N)c3)n2)cc1	ZINC000409463043	823225378	/nfs/dbraw/zinc/22/53/78/823225378.db2.gz	CFCDZVOUJJAOME-GOSISDBHSA-N	1	1	399.498	4.371	20	30		GIEDMO
N#Cc1ccc(OC2CC[NH+](Cc3conc3Cc3ccccc3)CC2)c(F)c1	ZINC000571781627	823233692	/nfs/dbraw/zinc/23/36/92/823233692.db2.gz	ZSIJUAGWGJHKIX-UHFFFAOYSA-N	1	1	391.446	4.320	20	30		GIEDMO
C=C(C)CN(CC)C(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1	ZINC000056993004	823238378	/nfs/dbraw/zinc/23/83/78/823238378.db2.gz	QUSAQTSLLSFRPN-UHFFFAOYSA-N	1	1	383.458	4.277	20	30		GIEDMO
C=C(C)COc1cc(C[N@H+]2CCC[C@@H](c3nnc4ccccn43)C2)ccc1OC	ZINC000121790798	823252105	/nfs/dbraw/zinc/25/21/05/823252105.db2.gz	DNDBUAOTTSQEHG-LJQANCHMSA-N	1	1	392.503	4.072	20	30		GIEDMO
Cn1cc([C@H]([NH2+]Cc2cccn2Cc2ccccc2C#N)c2ccc(F)cc2)cn1	ZINC000188563396	823262374	/nfs/dbraw/zinc/26/23/74/823262374.db2.gz	FUJZEDWRBZUINT-XMMPIXPASA-N	1	1	399.473	4.160	20	30		GIEDMO
C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCC[C@]2(CCSC2)C1	ZINC000571989834	823266234	/nfs/dbraw/zinc/26/62/34/823266234.db2.gz	PETYGFFRJPJFIA-UZLBHIALSA-N	1	1	389.590	4.096	20	30		GIEDMO
C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCC[C@]2(CCSC2)C1	ZINC000571989834	823266235	/nfs/dbraw/zinc/26/62/35/823266235.db2.gz	PETYGFFRJPJFIA-UZLBHIALSA-N	1	1	389.590	4.096	20	30		GIEDMO
CC(C)CC[N@H+]1Cc2cccc(NC(=O)c3ccn(-c4cccc(C#N)c4)n3)c2C1	ZINC000409643382	823271530	/nfs/dbraw/zinc/27/15/30/823271530.db2.gz	GSZPIPZXCIXHME-UHFFFAOYSA-N	1	1	399.498	4.358	20	30		GIEDMO
N#Cc1ccsc1NC(=O)CC[N@H+]1CCC[C@@H]1c1nc2ccccc2s1	ZINC000057450730	823299036	/nfs/dbraw/zinc/29/90/36/823299036.db2.gz	LCVGCHDDAUWHCN-OAHLLOKOSA-N	1	1	382.514	4.395	20	30		GIEDMO
C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1	ZINC000008261366	818025602	/nfs/dbraw/zinc/02/56/02/818025602.db2.gz	XLYMSFGMBWOQJA-RDJZCZTQSA-N	1	1	390.512	4.375	20	30		GIEDMO
C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1	ZINC000008261366	818025613	/nfs/dbraw/zinc/02/56/13/818025613.db2.gz	XLYMSFGMBWOQJA-RDJZCZTQSA-N	1	1	390.512	4.375	20	30		GIEDMO
CN(C)C(=O)Sc1ccc(C[N@H+]2CCCN(c3ccccc3C#N)CC2)cc1	ZINC000176875980	823315334	/nfs/dbraw/zinc/31/53/34/823315334.db2.gz	QQMRZGNQSDVOPU-UHFFFAOYSA-N	1	1	394.544	4.044	20	30		GIEDMO
C=CCOc1cccc(NC(=O)N(Cc2ccncc2)C[C@@H]2CCC[N@@H+]2CC)c1	ZINC000176919462	823324257	/nfs/dbraw/zinc/32/42/57/823324257.db2.gz	GJVXACLDMNLQNB-NRFANRHFSA-N	1	1	394.519	4.165	20	30		GIEDMO
C[C@@H]([NH2+]Cc1ccc(C#N)s1)c1cc2c(cc1Br)OCCO2	ZINC000176952146	823332878	/nfs/dbraw/zinc/33/28/78/823332878.db2.gz	UXLFLTXIHICRCH-SNVBAGLBSA-N	1	1	379.279	4.004	20	30		GIEDMO
C[C@H]([NH2+]Cc1ccc(C#N)s1)c1cc2c(cc1Br)OCCO2	ZINC000176952130	823332898	/nfs/dbraw/zinc/33/28/98/823332898.db2.gz	UXLFLTXIHICRCH-JTQLQIEISA-N	1	1	379.279	4.004	20	30		GIEDMO
COc1cc(C[N@@H+](CCOc2ccc(C#N)cc2)C2CC2)ccc1OC(F)F	ZINC000016423786	818441205	/nfs/dbraw/zinc/44/12/05/818441205.db2.gz	YTDZKDFFGSBBAX-UHFFFAOYSA-N	1	1	388.414	4.212	20	30		GIEDMO
CC(C)c1ccc([C@@H]([NH2+]CC(=O)N[C@](C)(C#N)C2CC2)c2cccs2)cc1	ZINC000058069542	823359134	/nfs/dbraw/zinc/35/91/34/823359134.db2.gz	SDLZMOHGJPOEEX-FGZHOGPDSA-N	1	1	381.545	4.359	20	30		GIEDMO
N#Cc1c(NC(=O)CC[N@H+](CCC(F)(F)F)CC2CC2)sc2c1CCCC2	ZINC000177170357	823390222	/nfs/dbraw/zinc/39/02/22/823390222.db2.gz	KQODSZDTDHEQLX-UHFFFAOYSA-N	1	1	399.482	4.492	20	30		GIEDMO
Cc1ccc(C#N)cc1NC(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1	ZINC000058452439	823393753	/nfs/dbraw/zinc/39/37/53/823393753.db2.gz	NHAJOKPGIAROJA-QGZVFWFLSA-N	1	1	376.504	4.420	20	30		GIEDMO
C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H]1c1cc(OC)ccc1OC	ZINC000025233016	819946976	/nfs/dbraw/zinc/94/69/76/819946976.db2.gz	LJXCLPMGSGKIOX-DENIHFKCSA-N	1	1	397.515	4.009	20	30		GIEDMO
N#Cc1ccc(C[N@H+]2CCCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc1	ZINC000025355191	819969354	/nfs/dbraw/zinc/96/93/54/819969354.db2.gz	SAPSQSMIZXQEPS-UHFFFAOYSA-N	1	1	394.828	4.338	20	30		GIEDMO
N#Cc1ccc(C[N@@H+]2CCCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc1	ZINC000025355191	819969360	/nfs/dbraw/zinc/96/93/60/819969360.db2.gz	SAPSQSMIZXQEPS-UHFFFAOYSA-N	1	1	394.828	4.338	20	30		GIEDMO
Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+](C)[C@H]2CCC[C@@H](C)C2)c1C#N	ZINC000026472705	820101451	/nfs/dbraw/zinc/10/14/51/820101451.db2.gz	QJEBMEXKLBDPED-QAPCUYQASA-N	1	1	382.508	4.067	20	30		GIEDMO
Cc1cc2[nH]c(C(=O)N3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)cc2c(C)c1	ZINC000028503057	820341120	/nfs/dbraw/zinc/34/11/20/820341120.db2.gz	ROLJUZDCANYTMH-UHFFFAOYSA-N	1	1	386.499	4.005	20	30		GIEDMO
Cc1cc2[nH]c(C(=O)N3CCC[N@@H+](Cc4ccc(C#N)cc4)CC3)cc2c(C)c1	ZINC000028503057	820341127	/nfs/dbraw/zinc/34/11/27/820341127.db2.gz	ROLJUZDCANYTMH-UHFFFAOYSA-N	1	1	386.499	4.005	20	30		GIEDMO
C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1	ZINC000573296005	823477466	/nfs/dbraw/zinc/47/74/66/823477466.db2.gz	BPHNARNHSYGNSG-JTJFMMGNSA-N	1	1	381.545	4.021	20	30		GIEDMO
C[C@@H]1C[C@@H](N(C)C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)CC[N@H+]1C	ZINC000123217525	823480257	/nfs/dbraw/zinc/48/02/57/823480257.db2.gz	ASTNYQQNVDWTBS-WBVHZDCISA-N	1	1	381.451	4.044	20	30		GIEDMO
Cc1ccc(-c2cc(C[N@H+]3CCCN(Cc4ccc(C#N)cc4)CC3)on2)cc1	ZINC000029712143	820503680	/nfs/dbraw/zinc/50/36/80/820503680.db2.gz	FSHLAEWZAMPJHG-UHFFFAOYSA-N	1	1	386.499	4.230	20	30		GIEDMO
Cc1ccc(-c2cc(CN3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)on2)cc1	ZINC000029712143	820503685	/nfs/dbraw/zinc/50/36/85/820503685.db2.gz	FSHLAEWZAMPJHG-UHFFFAOYSA-N	1	1	386.499	4.230	20	30		GIEDMO
Cc1ccc(-c2cc(CN3CCC[N@@H+](Cc4ccc(C#N)cc4)CC3)on2)cc1	ZINC000029712143	820503691	/nfs/dbraw/zinc/50/36/91/820503691.db2.gz	FSHLAEWZAMPJHG-UHFFFAOYSA-N	1	1	386.499	4.230	20	30		GIEDMO
Cc1ccccc1C[C@H](C)[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCC2	ZINC000573410367	823490235	/nfs/dbraw/zinc/49/02/35/823490235.db2.gz	JSKDRGFGWJCUOC-INIZCTEOSA-N	1	1	381.545	4.309	20	30		GIEDMO
N#Cc1cccnc1N1CC[NH+](Cc2ccc(-c3cccc(F)c3)s2)CC1	ZINC000030521014	820629844	/nfs/dbraw/zinc/62/98/44/820629844.db2.gz	YUTYNQQPFNCROS-UHFFFAOYSA-N	1	1	378.476	4.143	20	30		GIEDMO
C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)C(C)(C)Cc1ccc(C#N)cc1	ZINC000410507722	823500517	/nfs/dbraw/zinc/50/05/17/823500517.db2.gz	IODWXMOGGLKMHJ-FQEVSTJZSA-N	1	1	389.543	4.250	20	30		GIEDMO
N#Cc1ccsc1NC(=O)CC[N@H+]1CCc2cc(-c3ccccc3)oc2C1	ZINC000177717417	823516173	/nfs/dbraw/zinc/51/61/73/823516173.db2.gz	IRLSJECOBNAJTE-UHFFFAOYSA-N	1	1	377.469	4.267	20	30		GIEDMO
C=C(C)Cn1c(-c2c[nH]c3ccccc32)nnc1N(C)[C@H]1CC[N@H+](CC)C[C@H]1C	ZINC000460806190	823517555	/nfs/dbraw/zinc/51/75/55/823517555.db2.gz	WBGBGLCPIHJQJF-UTKZUKDTSA-N	1	1	392.551	4.169	20	30		GIEDMO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)Nc3ccc(Cl)cc3F)CC2)cc1	ZINC000043275923	821385399	/nfs/dbraw/zinc/38/53/99/821385399.db2.gz	IQDXXUOMKBXRQV-UHFFFAOYSA-N	1	1	386.858	4.091	20	30		GIEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Nc3ccc(Cl)cc3F)CC2)cc1	ZINC000043275923	821385404	/nfs/dbraw/zinc/38/54/04/821385404.db2.gz	IQDXXUOMKBXRQV-UHFFFAOYSA-N	1	1	386.858	4.091	20	30		GIEDMO
C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1ccc(C#N)cc1Br	ZINC000180956449	821555455	/nfs/dbraw/zinc/55/54/55/821555455.db2.gz	PCRJODVQLSTZME-AWEZNQCLSA-N	1	1	396.292	4.094	20	30		GIEDMO
C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)Cc1ccc(C#N)cc1Br	ZINC000180956449	821555457	/nfs/dbraw/zinc/55/54/57/821555457.db2.gz	PCRJODVQLSTZME-AWEZNQCLSA-N	1	1	396.292	4.094	20	30		GIEDMO
C=CCCO[C@@H](C)C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1	ZINC000181498289	821855139	/nfs/dbraw/zinc/85/51/39/821855139.db2.gz	MEHGTZXCNYVFDK-AWEZNQCLSA-N	1	1	385.335	4.055	20	30		GIEDMO
C[N@H+]1CCCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CC1	ZINC000181500282	821855524	/nfs/dbraw/zinc/85/55/24/821855524.db2.gz	BCDATLCCYMPQKS-IBGZPJMESA-N	1	1	382.895	4.165	20	30		GIEDMO
CC(C)[N@H+]1CCC[C@H](CNC(=O)c2ccccc2Oc2ccccc2C#N)C1	ZINC000181534792	821871263	/nfs/dbraw/zinc/87/12/63/821871263.db2.gz	YHIFGWZKWSKIND-GOSISDBHSA-N	1	1	377.488	4.201	20	30		GIEDMO
C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1	ZINC000182914743	822391869	/nfs/dbraw/zinc/39/18/69/822391869.db2.gz	ISUWAJWCFWHFQW-ICSRJNTNSA-N	1	1	385.552	4.046	20	30		GIEDMO
CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1	ZINC000182943288	822397377	/nfs/dbraw/zinc/39/73/77/822397377.db2.gz	NNQOXABPMYWITQ-GHTZIAJQSA-N	1	1	382.552	4.133	20	30		GIEDMO
Cc1ccc(N[C@H](C)c2cccc(C#N)c2)cc1NC(=O)C[NH+]1CCCCC1	ZINC000182965200	822400876	/nfs/dbraw/zinc/40/08/76/822400876.db2.gz	DAWXLBFABLPYJX-GOSISDBHSA-N	1	1	376.504	4.464	20	30		GIEDMO
C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N(C)Cc1ccc(C#N)cc1	ZINC000045780748	822413027	/nfs/dbraw/zinc/41/30/27/822413027.db2.gz	QDVFCSOZKAKRDQ-IBGZPJMESA-N	1	1	390.531	4.274	20	30		GIEDMO
N#Cc1ccccc1N1CCC[N@H+](Cc2cc(-c3ccc(F)cc3)no2)CC1	ZINC000046086363	822440303	/nfs/dbraw/zinc/44/03/03/822440303.db2.gz	ZXVJTWMHWNMALQ-UHFFFAOYSA-N	1	1	376.435	4.065	20	30		GIEDMO
CC[C@H](C#N)Oc1cc(C[NH2+][C@@H](COC)c2ccc(F)c(F)c2)ccc1OC	ZINC000183256988	822449251	/nfs/dbraw/zinc/44/92/51/822449251.db2.gz	UPUJLACPAFDBOV-APWZRJJASA-N	1	1	390.430	4.132	20	30		GIEDMO
C[C@@H]1C[NH+](Cc2ccc(C(=O)Nc3ccc(Cl)c(C#N)c3)cc2)C[C@@H](C)O1	ZINC000046435224	822472804	/nfs/dbraw/zinc/47/28/04/822472804.db2.gz	XQYPNGZWYWWHES-HUUCEWRRSA-N	1	1	383.879	4.073	20	30		GIEDMO
C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+](C)Cc3cccc(C#N)c3)sc2C1	ZINC000046518401	822480526	/nfs/dbraw/zinc/48/05/26/822480526.db2.gz	GXXITLFTSXIGOK-HNNXBMFYSA-N	1	1	392.528	4.077	20	30		GIEDMO
N#CCCn1cc(C[N@@H+]2CCO[C@H](c3ccc(F)cc3)C2)c(-c2ccccc2)n1	ZINC000179426011	822480808	/nfs/dbraw/zinc/48/08/08/822480808.db2.gz	IITUOYWZHCIQQR-QFIPXVFZSA-N	1	1	390.462	4.176	20	30		GIEDMO
N#CCCn1cc(C[N@H+]2CCO[C@H](c3ccc(F)cc3)C2)c(-c2ccccc2)n1	ZINC000179426011	822480810	/nfs/dbraw/zinc/48/08/10/822480810.db2.gz	IITUOYWZHCIQQR-QFIPXVFZSA-N	1	1	390.462	4.176	20	30		GIEDMO
CN(C(=O)C[N@H+](C)Cc1ccc(C#N)cc1)C(c1ccccc1)c1ccccc1	ZINC000046527303	822481343	/nfs/dbraw/zinc/48/13/43/822481343.db2.gz	LPJZICZPHXVJCN-UHFFFAOYSA-N	1	1	383.495	4.238	20	30		GIEDMO
CN(C(=O)C[N@@H+](C)Cc1ccc(C#N)cc1)C(c1ccccc1)c1ccccc1	ZINC000046527303	822481346	/nfs/dbraw/zinc/48/13/46/822481346.db2.gz	LPJZICZPHXVJCN-UHFFFAOYSA-N	1	1	383.495	4.238	20	30		GIEDMO
Cc1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2ccc(C#N)cc2)c(Br)c1	ZINC000046528614	822481631	/nfs/dbraw/zinc/48/16/31/822481631.db2.gz	LTODURVHMWOMFN-AWEZNQCLSA-N	1	1	386.293	4.088	20	30		GIEDMO
Cc1ccc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccc(C#N)cc2)c(Br)c1	ZINC000046528614	822481632	/nfs/dbraw/zinc/48/16/32/822481632.db2.gz	LTODURVHMWOMFN-AWEZNQCLSA-N	1	1	386.293	4.088	20	30		GIEDMO
C[N@@H+](CCC(=O)N[C@@H](c1cccs1)c1ccccc1)Cc1ccc(C#N)cc1	ZINC000046529218	822481852	/nfs/dbraw/zinc/48/18/52/822481852.db2.gz	MDFCMIDQUHVBQO-HSZRJFAPSA-N	1	1	389.524	4.347	20	30		GIEDMO
Cc1csc([C@@H]([NH2+]CC(=O)N(CCC#N)c2ccc(C)c(C)c2)C2CC2)n1	ZINC000183489096	822484367	/nfs/dbraw/zinc/48/43/67/822484367.db2.gz	SQBOHVNBYWQUAJ-FQEVSTJZSA-N	1	1	382.533	4.056	20	30		GIEDMO
C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH2+][C@@H](c1nc(C)cs1)C1CC1	ZINC000183512811	822488024	/nfs/dbraw/zinc/48/80/24/822488024.db2.gz	GDAZGSHJLLHOCN-RHSMWYFYSA-N	1	1	375.563	4.157	20	30		GIEDMO
Cc1cc([C@H](C)NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c(C)s1	ZINC000046601461	822490801	/nfs/dbraw/zinc/49/08/01/822490801.db2.gz	VWMWCNIVIJPSLQ-KRWDZBQOSA-N	1	1	396.560	4.215	20	30		GIEDMO
C=C(C)COc1cc(C[N@@H+]2CCc3c(cccc3NC(C)=O)C2)ccc1OC	ZINC000179532546	822498378	/nfs/dbraw/zinc/49/83/78/822498378.db2.gz	LUBJLOQDCJRQGH-UHFFFAOYSA-N	1	1	380.488	4.167	20	30		GIEDMO
C=C(C)COc1cc(C[N@H+]2CCc3c(cccc3NC(C)=O)C2)ccc1OC	ZINC000179532546	822498382	/nfs/dbraw/zinc/49/83/82/822498382.db2.gz	LUBJLOQDCJRQGH-UHFFFAOYSA-N	1	1	380.488	4.167	20	30		GIEDMO
C=CCOc1c(Br)cc(C[N@@H+](C)CCc2ccncc2)cc1OC	ZINC000183758501	822523485	/nfs/dbraw/zinc/52/34/85/822523485.db2.gz	QDHUJACIUJLCRR-UHFFFAOYSA-N	1	1	391.309	4.092	20	30		GIEDMO
C[C@@H](C#N)Oc1ccccc1NC(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1	ZINC000184020227	822565290	/nfs/dbraw/zinc/56/52/90/822565290.db2.gz	OYCFDGKCNOREQP-IRXDYDNUSA-N	1	1	394.475	4.015	20	30		GIEDMO
CC[N@H+]1CC[C@H](N(C)C(=O)NCc2ccc(-c3ccccc3C#N)cc2)[C@H](C)C1	ZINC000179872641	822569177	/nfs/dbraw/zinc/56/91/77/822569177.db2.gz	HLJXWZXBYWPRRO-JPYJTQIMSA-N	1	1	390.531	4.097	20	30		GIEDMO
C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1	ZINC000180018892	822597703	/nfs/dbraw/zinc/59/77/03/822597703.db2.gz	UZNVIKOQGDTATF-FHWLQOOXSA-N	1	1	384.524	4.096	20	30		GIEDMO
CC[N@@H+](Cc1ccc(C(=O)Nc2cc(C#N)ccc2OCCOC)cc1)C(C)C	ZINC000184426454	822632985	/nfs/dbraw/zinc/63/29/85/822632985.db2.gz	XZJOJIXRYAPNQF-UHFFFAOYSA-N	1	1	395.503	4.066	20	30		GIEDMO
C[C@@H]([NH2+][C@@H](C)c1nc(C(C)(C)C)cs1)C(=O)N(CCC#N)c1ccccc1	ZINC000184494905	822645224	/nfs/dbraw/zinc/64/52/24/822645224.db2.gz	HXOKFUMOICGREV-JKSUJKDBSA-N	1	1	384.549	4.427	20	30		GIEDMO
C[C@@H](c1ccc(NC(=O)C(C)(C)Cc2ccc(C#N)cc2)cc1)[NH+]1CCOCC1	ZINC000455470600	822660822	/nfs/dbraw/zinc/66/08/22/822660822.db2.gz	BUSQLVUKPWWGPM-SFHVURJKSA-N	1	1	391.515	4.159	20	30		GIEDMO
C[C@@H]1C[C@@H](NC(=O)Nc2ccc(CC#N)cc2Cl)C[N@H+]1Cc1ccccc1	ZINC000455696284	822704771	/nfs/dbraw/zinc/70/47/71/822704771.db2.gz	BZFGPNCUDXYVSB-CRAIPNDOSA-N	1	1	382.895	4.191	20	30		GIEDMO
C[C@@H](NC(=O)Nc1ccc(CC#N)cc1Cl)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000455696906	822705033	/nfs/dbraw/zinc/70/50/33/822705033.db2.gz	DCEUBNHNSFPMEM-VQIMIIECSA-N	1	1	396.922	4.438	20	30		GIEDMO
COc1ccc(C[N@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)cc1OCCCC#N	ZINC000180604197	822709992	/nfs/dbraw/zinc/70/99/92/822709992.db2.gz	HGTXLOUJXXTXSM-MOPGFXCFSA-N	1	1	384.476	4.059	20	30		GIEDMO
Cc1sc([C@@H](C)[NH2+][C@H](C)C(=O)N(C)CCC#N)nc1-c1ccc(Cl)cc1	ZINC000184951633	822717691	/nfs/dbraw/zinc/71/76/91/822717691.db2.gz	LENQZDBMILUZRF-CHWSQXEVSA-N	1	1	390.940	4.183	20	30		GIEDMO
CC(C)(C)Oc1ccc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1C#N	ZINC000455766094	822722415	/nfs/dbraw/zinc/72/24/15/822722415.db2.gz	HTCGTZYQQVZALN-JXFKEZNVSA-N	1	1	396.535	4.216	20	30		GIEDMO
CC(F)(F)c1ccccc1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000455816441	822731547	/nfs/dbraw/zinc/73/15/47/822731547.db2.gz	WXIWBROTSXCDSO-UHFFFAOYSA-N	1	1	398.457	4.410	20	30		GIEDMO
CC(F)(F)c1ccccc1NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000455816441	822731551	/nfs/dbraw/zinc/73/15/51/822731551.db2.gz	WXIWBROTSXCDSO-UHFFFAOYSA-N	1	1	398.457	4.410	20	30		GIEDMO
N#Cc1cccc(C[NH2+]Cc2cc(Br)ccc2Br)c1	ZINC000185157978	822744190	/nfs/dbraw/zinc/74/41/90/822744190.db2.gz	UERUWPSIYDCOPI-UHFFFAOYSA-N	1	1	380.083	4.373	20	30		GIEDMO
C[C@@H]1C[C@H](N(C)C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)CC[N@H+]1C	ZINC000174494044	822796556	/nfs/dbraw/zinc/79/65/56/822796556.db2.gz	CYWXVTWFKMPSDF-CRAIPNDOSA-N	1	1	396.466	4.436	20	30		GIEDMO
C[C@@H]1CN(C(=O)c2ccc(C(C)(C)C#N)cc2)CC[N@@H+](Cc2ccccc2)C1	ZINC000456352021	822801324	/nfs/dbraw/zinc/80/13/24/822801324.db2.gz	XVDFZRTXZYPYRT-IBGZPJMESA-N	1	1	375.516	4.082	20	30		GIEDMO
N#Cc1nc(C2CC2)oc1N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1	ZINC000052638190	822805999	/nfs/dbraw/zinc/80/59/99/822805999.db2.gz	VOEJNDPVZVTKBT-UHFFFAOYSA-N	1	1	382.467	4.316	20	30		GIEDMO
CC[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)[C@@H](C)c1cccc(O)c1	ZINC000174617401	822813078	/nfs/dbraw/zinc/81/30/78/822813078.db2.gz	DDFUALVYIKJUBV-AWEZNQCLSA-N	1	1	383.517	4.226	20	30		GIEDMO
N#Cc1cccc(NC(=O)CC[N@H+]2CCC[C@H]2c2nc3ccccc3s2)c1	ZINC000174655708	822818839	/nfs/dbraw/zinc/81/88/39/822818839.db2.gz	BLUMDAXTXWSPPO-SFHVURJKSA-N	1	1	376.485	4.334	20	30		GIEDMO
C[C@H]([NH2+]Cc1ccc(N(C)CCC#N)cc1)c1nc(-c2cccc(F)c2)no1	ZINC000174664212	822820589	/nfs/dbraw/zinc/82/05/89/822820589.db2.gz	SUGAQRMYTSCHKQ-HNNXBMFYSA-N	1	1	379.439	4.076	20	30		GIEDMO
N#CCCn1cc(C(=O)C[N@@H+](C[C@H]2CCCO2)C2CCCC2)c2ccccc21	ZINC000174876506	822849657	/nfs/dbraw/zinc/84/96/57/822849657.db2.gz	AXJDQDZXQCMUMD-LJQANCHMSA-N	1	1	379.504	4.161	20	30		GIEDMO
Cc1cc(C#N)ccc1C[N@H+](C)CC(=O)Nc1ccc(Br)cc1C	ZINC000186166249	822857518	/nfs/dbraw/zinc/85/75/18/822857518.db2.gz	SOYDUZQBQQTYLR-UHFFFAOYSA-N	1	1	386.293	4.008	20	30		GIEDMO
Cc1cc(C#N)ccc1C[N@@H+](C)CC(=O)Nc1ccc(Br)cc1C	ZINC000186166249	822857521	/nfs/dbraw/zinc/85/75/21/822857521.db2.gz	SOYDUZQBQQTYLR-UHFFFAOYSA-N	1	1	386.293	4.008	20	30		GIEDMO
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CC[NH+](C3CC3)CC2)cc1Cl	ZINC000175202587	822903455	/nfs/dbraw/zinc/90/34/55/822903455.db2.gz	UVDIKSPYCYGFEW-FQEVSTJZSA-N	1	1	394.906	4.307	20	30		GIEDMO
N#Cc1ccc(C[N@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)c(C(F)(F)F)c1	ZINC000569399393	822916807	/nfs/dbraw/zinc/91/68/07/822916807.db2.gz	SOBJQQAQARGQFT-KRWDZBQOSA-N	1	1	387.405	4.428	20	30		GIEDMO
COc1ccc(F)cc1[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000055152477	822941479	/nfs/dbraw/zinc/94/14/79/822941479.db2.gz	CIBRPDQUHZKGKW-NEPJUHHUSA-N	1	1	375.831	4.037	20	30		GIEDMO
COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(-c2ccncc2)ccc1OC	ZINC000186904539	822977259	/nfs/dbraw/zinc/97/72/59/822977259.db2.gz	XIDDLKJLYWHSCB-UHFFFAOYSA-N	1	1	387.483	4.277	20	30		GIEDMO
COc1ccc2nc(C[NH+]3CCC(Oc4cccc(C#N)c4)CC3)sc2c1	ZINC000186958777	822986938	/nfs/dbraw/zinc/98/69/38/822986938.db2.gz	NGYJJAQZQXSPOH-UHFFFAOYSA-N	1	1	379.485	4.220	20	30		GIEDMO
C[C@@H]1C[C@H](N(C)C(=O)c2ccc(Sc3ccccc3C#N)cc2)CC[N@H+]1C	ZINC000175764120	823034244	/nfs/dbraw/zinc/03/42/44/823034244.db2.gz	SEGFBUHJHAMCOV-VQIMIIECSA-N	1	1	379.529	4.264	20	30		GIEDMO
C=CCn1c(-c2cc(Cl)ccc2Cl)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@H]1C	ZINC000570437926	823038365	/nfs/dbraw/zinc/03/83/65/823038365.db2.gz	IRJGWTHJYFNLAA-HIFRSBDPSA-N	1	1	392.334	4.111	20	30		GIEDMO
C[C@H]1C[C@@H](N(C)C(=O)Nc2ccc(F)cc2C#N)CC[N@H+]1Cc1ccccc1	ZINC000177896691	823543284	/nfs/dbraw/zinc/54/32/84/823543284.db2.gz	HCKQGXABTXDDBX-JXFKEZNVSA-N	1	1	380.467	4.214	20	30		GIEDMO
CCC[N@@H+](CC(=O)Nc1ccc(F)c(F)c1F)[C@H](C)c1cccc(C#N)c1	ZINC000411160714	823553067	/nfs/dbraw/zinc/55/30/67/823553067.db2.gz	UVXRNXCKUHXKGE-CYBMUJFWSA-N	1	1	375.394	4.387	20	30		GIEDMO
CCC[N@@H+](Cc1ccc(C#N)cc1)[C@@H](C)C(=O)Nc1ccc(-c2c[nH]cn2)cc1	ZINC000411165354	823553665	/nfs/dbraw/zinc/55/36/65/823553665.db2.gz	JUUXDYLDLAYLTI-KRWDZBQOSA-N	1	1	387.487	4.188	20	30		GIEDMO
C=CC[N@@H+](Cc1ccc(OC)cc1)[C@H](C)C(=O)Nc1ccccc1OC(F)F	ZINC000411174169	823554522	/nfs/dbraw/zinc/55/45/22/823554522.db2.gz	ADMOPEYGABWQNM-OAHLLOKOSA-N	1	1	390.430	4.312	20	30		GIEDMO
C=CC[N@H+](Cc1ccc(OC)cc1)[C@H](C)C(=O)Nc1ccccc1OC(F)F	ZINC000411174169	823554525	/nfs/dbraw/zinc/55/45/25/823554525.db2.gz	ADMOPEYGABWQNM-OAHLLOKOSA-N	1	1	390.430	4.312	20	30		GIEDMO
C[C@H]1C[C@H](N(C)C(=O)c2ccccc2Sc2ccccc2C#N)CC[N@H+]1C	ZINC000123950743	823554534	/nfs/dbraw/zinc/55/45/34/823554534.db2.gz	DYMIPJGTSAVGSA-FUHWJXTLSA-N	1	1	379.529	4.264	20	30		GIEDMO
C=C(C)COc1cc(CNC2CC[NH+](Cc3ccccc3)CC2)ccc1OC	ZINC000060926704	823567235	/nfs/dbraw/zinc/56/72/35/823567235.db2.gz	SQOYZQDYNAAMQL-UHFFFAOYSA-N	1	1	380.532	4.404	20	30		GIEDMO
CC(C)[C@@H](C[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1)N1CCCC1	ZINC000060974810	823570509	/nfs/dbraw/zinc/57/05/09/823570509.db2.gz	HZUXYVFJNJTXMZ-XMMPIXPASA-N	1	1	377.532	4.347	20	30		GIEDMO
C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+](Cc3ccncc3)C3CC3)sc2C1	ZINC000411422019	823572215	/nfs/dbraw/zinc/57/22/15/823572215.db2.gz	SDOPYARXVZSURL-OAHLLOKOSA-N	1	1	394.544	4.133	20	30		GIEDMO
N#Cc1ccc(OC[C@H](O)C[N@@H+](Cc2cccc(-c3cccnc3)c2)C2CC2)cc1	ZINC000124538671	823604779	/nfs/dbraw/zinc/60/47/79/823604779.db2.gz	WBIUNKODZVKZFM-XMMPIXPASA-N	1	1	399.494	4.025	20	30		GIEDMO
C[C@@H](NC(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)c1ccc(C#N)cc1	ZINC000061867898	823616769	/nfs/dbraw/zinc/61/67/69/823616769.db2.gz	DJHIDRPSSRJZOX-RTBURBONSA-N	1	1	390.531	4.493	20	30		GIEDMO
CC[N@@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)C1CC(C)(C)C1	ZINC000412042340	823624114	/nfs/dbraw/zinc/62/41/14/823624114.db2.gz	UZBXNXJUZPEIAV-UHFFFAOYSA-N	1	1	382.508	4.067	20	30		GIEDMO
C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@@H]3C[C@H]3c3cccc(C#N)c3)cc2)C1	ZINC000412149886	823630700	/nfs/dbraw/zinc/63/07/00/823630700.db2.gz	CLGGCJZUWKEKMA-MQNAVGNWSA-N	1	1	389.499	4.021	20	30		GIEDMO
C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CC1	ZINC000412188429	823634025	/nfs/dbraw/zinc/63/40/25/823634025.db2.gz	BPUUKXKFBXNHPH-OFAXGOBFSA-N	1	1	379.548	4.165	20	30		GIEDMO
N#CC[C@H](CC(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)c1ccccc1	ZINC000461427001	823634498	/nfs/dbraw/zinc/63/44/98/823634498.db2.gz	KEYDVAADDAKURX-WXFUMESZSA-N	1	1	387.527	4.054	20	30		GIEDMO
Cc1cc[nH+]c(N2CCN(C(=O)Nc3ccccc3S[C@H](C)CC#N)CC2)c1	ZINC000125433052	823675822	/nfs/dbraw/zinc/67/58/22/823675822.db2.gz	CYEUEGOHIFNOLY-QGZVFWFLSA-N	1	1	395.532	4.138	20	30		GIEDMO
C=CCc1cccc(C(C)C)c1NC(=O)N1CCCC[C@@H](N2CC[NH+](C)CC2)C1	ZINC000191430221	823684391	/nfs/dbraw/zinc/68/43/91/823684391.db2.gz	JXTPJIWZLZXNHE-OAQYLSRUSA-N	1	1	398.595	4.172	20	30		GIEDMO
COCC[N@@H+](CCOc1c(Cl)cccc1Cl)Cc1ccc(C#N)cc1	ZINC000063754498	823693697	/nfs/dbraw/zinc/69/36/97/823693697.db2.gz	OEHOXGJJSDEUDY-UHFFFAOYSA-N	1	1	379.287	4.392	20	30		GIEDMO
N#CC(CC[N@H+]1CCS[C@@H]2COCC[C@@H]21)(c1ccccc1)c1ccccc1	ZINC000191554361	823699139	/nfs/dbraw/zinc/69/91/39/823699139.db2.gz	IZMIUYPFZQJHRW-FCHUYYIVSA-N	1	1	378.541	4.093	20	30		GIEDMO
N#Cc1ccc(CSc2ccccc2C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)cc1	ZINC000063824830	823699863	/nfs/dbraw/zinc/69/98/63/823699863.db2.gz	YECBVWRZMXKDDI-LEWJYISDSA-N	1	1	391.540	4.207	20	30		GIEDMO
COc1ccc(CCC[N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCC3)cc1	ZINC000125876147	823734267	/nfs/dbraw/zinc/73/42/67/823734267.db2.gz	GREULDOLCSPMMW-UHFFFAOYSA-N	1	1	397.544	4.010	20	30		GIEDMO
C[C@@H](C(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1)c1cccc(C#N)c1	ZINC000462025865	823800301	/nfs/dbraw/zinc/80/03/01/823800301.db2.gz	GRQPIDIKGZRVFK-LJQANCHMSA-N	1	1	375.516	4.032	20	30		GIEDMO
CSCC[C@H](C)[N@@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1	ZINC000126281000	823828610	/nfs/dbraw/zinc/82/86/10/823828610.db2.gz	SUPYPUZYTWNHDS-AWEZNQCLSA-N	1	1	376.570	4.104	20	30		GIEDMO
C[C@H](C(=O)NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)c1cccc(C#N)c1	ZINC000462232564	823885869	/nfs/dbraw/zinc/88/58/69/823885869.db2.gz	MOJLRPHWVZDAKY-XQBPLPMBSA-N	1	1	375.516	4.079	20	30		GIEDMO
C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1c[nH]nc1-c1ccc2c(c1)OCO2	ZINC000575027309	823892458	/nfs/dbraw/zinc/89/24/58/823892458.db2.gz	ZZPREWBMVSSNQW-UHFFFAOYSA-N	1	1	393.491	4.161	20	30		GIEDMO
C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1c[nH]nc1-c1ccc2c(c1)OCO2	ZINC000575027309	823892470	/nfs/dbraw/zinc/89/24/70/823892470.db2.gz	ZZPREWBMVSSNQW-UHFFFAOYSA-N	1	1	393.491	4.161	20	30		GIEDMO
Cc1ccc(NC(=O)NC[C@H]2CCC[N@@H+](Cc3ccc(C#N)cc3F)C2)cc1	ZINC000170687570	823939460	/nfs/dbraw/zinc/93/94/60/823939460.db2.gz	OCNABEBNGRBDFW-GOSISDBHSA-N	1	1	380.467	4.040	20	30		GIEDMO
COC(=O)CC[N@@H+](CCCC(C)(C)C#N)Cc1cccc(Br)c1	ZINC000192330014	823947939	/nfs/dbraw/zinc/94/79/39/823947939.db2.gz	VTOKPIVTNMMUOX-UHFFFAOYSA-N	1	1	381.314	4.144	20	30		GIEDMO
C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1cccc(C#N)c1	ZINC000462407636	823962790	/nfs/dbraw/zinc/96/27/90/823962790.db2.gz	LMXOVLNOFRTNRT-PGRDOPGGSA-N	1	1	375.516	4.079	20	30		GIEDMO
C=C(C)COc1cccc(NC(=O)NCc2cc(C)[nH+]c(N3CCCC3)c2)c1	ZINC000575621920	823979349	/nfs/dbraw/zinc/97/93/49/823979349.db2.gz	AVYZXLBCYMXYPY-UHFFFAOYSA-N	1	1	380.492	4.267	20	30		GIEDMO
Cc1csc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)c1C#N	ZINC000575834279	824007318	/nfs/dbraw/zinc/00/73/18/824007318.db2.gz	JTJKINSHQNWZQM-INIZCTEOSA-N	1	1	375.444	4.024	20	30		GIEDMO
N#Cc1ccc(-c2ccncc2)nc1N1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21	ZINC001164629951	719094939	/nfs/dbraw/zinc/09/49/39/719094939.db2.gz	UMYGLFDUNJQARK-UPVQGACJSA-N	1	1	395.510	4.116	20	30		GIEDMO
C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc(C#N)c3ccccc3n1)CC2	ZINC001164796395	721499998	/nfs/dbraw/zinc/49/99/98/721499998.db2.gz	UEKPLVZBEKOKAG-UHFFFAOYSA-N	1	1	397.526	4.382	20	30		GIEDMO
Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)cc1	ZINC000175835808	823051385	/nfs/dbraw/zinc/05/13/85/823051385.db2.gz	IWRACSAMUWCMLF-QGZVFWFLSA-N	1	1	399.498	4.488	20	30		GIEDMO
CC(C)(CC#N)CNC(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1	ZINC000458648663	823069625	/nfs/dbraw/zinc/06/96/25/823069625.db2.gz	KWFPMYAXZBTCLN-UHFFFAOYSA-N	1	1	397.350	4.197	20	30		GIEDMO
C[N@@H+]1CCN(C(=O)N[C@@H](CCCC#N)c2ccccc2)[C@@H](c2ccccc2)C1	ZINC000458800596	823087630	/nfs/dbraw/zinc/08/76/30/823087630.db2.gz	LKQUZPQTBOZGOL-FCHUYYIVSA-N	1	1	376.504	4.120	20	30		GIEDMO
C[N@H+]1CCN(C(=O)N[C@@H](CCCC#N)c2ccccc2)[C@@H](c2ccccc2)C1	ZINC000458800596	823087632	/nfs/dbraw/zinc/08/76/32/823087632.db2.gz	LKQUZPQTBOZGOL-FCHUYYIVSA-N	1	1	376.504	4.120	20	30		GIEDMO
C[C@H](NCc1ccccc1C[N@H+]1CCCC[C@H]1C)C(=O)Nc1ccccc1C#N	ZINC000056156220	823091359	/nfs/dbraw/zinc/09/13/59/823091359.db2.gz	QXRLCOMRYHQVBJ-MOPGFXCFSA-N	1	1	390.531	4.049	20	30		GIEDMO
C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)c1cccc(SCC#N)c1	ZINC000176001201	823092681	/nfs/dbraw/zinc/09/26/81/823092681.db2.gz	OJGIEFQSIYZXDM-SFHVURJKSA-N	1	1	379.529	4.039	20	30		GIEDMO
C[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1	ZINC000187666319	823109295	/nfs/dbraw/zinc/10/92/95/823109295.db2.gz	LNJIZCJTPSIXKI-SJLPKXTDSA-N	1	1	380.467	4.292	20	30		GIEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Nc3ccc(F)c(C4CC4)c3)CC2)cc1	ZINC000571009108	823119427	/nfs/dbraw/zinc/11/94/27/823119427.db2.gz	XBQACGDAIJADFH-UHFFFAOYSA-N	1	1	392.478	4.315	20	30		GIEDMO
C=C(C)[C@H]([NH2+][C@H](C)C(=O)Nc1cc(OC)ccc1OC)c1ccc(F)c(F)c1	ZINC000187757097	823126503	/nfs/dbraw/zinc/12/65/03/823126503.db2.gz	FLKIJIHYSUJCRG-XCLFUZPHSA-N	1	1	390.430	4.216	20	30		GIEDMO
C=C(C)[C@H]([NH2+][C@H](C)C(=O)Nc1cccc(NC(C)=O)c1)c1ccc(F)c(F)c1	ZINC000187773180	823129972	/nfs/dbraw/zinc/12/99/72/823129972.db2.gz	KLQZFXYBFCJRAR-XCLFUZPHSA-N	1	1	387.430	4.157	20	30		GIEDMO
C=CCCC[N@H+](C)[C@H](C)C(=O)Nc1ccc(C(=O)Nc2ccccc2OC)cc1	ZINC000121145091	823126739	/nfs/dbraw/zinc/12/67/39/823126739.db2.gz	FCRVLKXSDAMJDP-QGZVFWFLSA-N	1	1	395.503	4.173	20	30		GIEDMO
C=C(C)[C@H]([NH2+][C@H](C)C(=O)N1CCc2sccc2C1)c1ccc(F)c(F)c1	ZINC000187792908	823134135	/nfs/dbraw/zinc/13/41/35/823134135.db2.gz	HYROCTZNJIJSCJ-YJYMSZOUSA-N	1	1	376.472	4.207	20	30		GIEDMO
Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)CSCc2ccc(C#N)cc2)cc1	ZINC000176185849	823147864	/nfs/dbraw/zinc/14/78/64/823147864.db2.gz	HSLQNEPUGUTHNV-INIZCTEOSA-N	1	1	390.512	4.163	20	30		GIEDMO
N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1	ZINC000459353699	823169183	/nfs/dbraw/zinc/16/91/83/823169183.db2.gz	UDYSHUUQAHEURQ-OAHLLOKOSA-N	1	1	382.489	4.181	20	30		GIEDMO
N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1	ZINC000459353699	823169188	/nfs/dbraw/zinc/16/91/88/823169188.db2.gz	UDYSHUUQAHEURQ-OAHLLOKOSA-N	1	1	382.489	4.181	20	30		GIEDMO
N#C[C@@H]1CCC[C@@H]1NCc1cc(C[NH2+][C@H]2CCC[C@H]2C#N)cc(C(F)(F)F)c1	ZINC000459480870	823201463	/nfs/dbraw/zinc/20/14/63/823201463.db2.gz	PSANSFUBDUOWAV-ZULIPRJHSA-N	1	1	390.453	4.269	20	30		GIEDMO
Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[NH2+][C@@H](C)c2nc3c(s2)CCC3)c1	ZINC000459633243	823233930	/nfs/dbraw/zinc/23/39/30/823233930.db2.gz	LJJXKUYQJSCVKY-DLBZAZTESA-N	1	1	396.560	4.235	20	30		GIEDMO
C=CCc1cc(C[N@@H+]2CCC[C@@H](Oc3ccccc3OC)C2)cc(OC)c1O	ZINC000572081809	823280152	/nfs/dbraw/zinc/28/01/52/823280152.db2.gz	XNISVTSAZNGPDG-LJQANCHMSA-N	1	1	383.488	4.181	20	30		GIEDMO
N#CC1CCC(CNC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)CC1	ZINC000572202018	823299003	/nfs/dbraw/zinc/29/90/03/823299003.db2.gz	RHEVWFYTRLSBKY-PHFCHIBXSA-N	1	1	394.563	4.012	20	30		GIEDMO
C[C@@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(c2nc3ccccc3s2)CC1	ZINC000008201662	818016978	/nfs/dbraw/zinc/01/69/78/818016978.db2.gz	RYWBJQVHSYRSBX-HNNXBMFYSA-N	1	1	390.512	4.375	20	30		GIEDMO
C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1	ZINC000008261298	818025239	/nfs/dbraw/zinc/02/52/39/818025239.db2.gz	NCRWZVRSAWIOCG-RDJZCZTQSA-N	1	1	390.512	4.375	20	30		GIEDMO
C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1	ZINC000008261298	818025249	/nfs/dbraw/zinc/02/52/49/818025249.db2.gz	NCRWZVRSAWIOCG-RDJZCZTQSA-N	1	1	390.512	4.375	20	30		GIEDMO
N#Cc1ccccc1-c1ccc(C[NH+]2CCN(C(=O)c3ccccc3)CC2)cc1	ZINC000023625292	818967228	/nfs/dbraw/zinc/96/72/28/818967228.db2.gz	PUHJKMGGLRJXSD-UHFFFAOYSA-N	1	1	381.479	4.183	20	30		GIEDMO
C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCS[C@H]2CCCC[C@@H]21	ZINC000177192904	823395557	/nfs/dbraw/zinc/39/55/57/823395557.db2.gz	QYCIYMFJFAJGJK-AYBZRNKSSA-N	1	1	389.590	4.379	20	30		GIEDMO
C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCS[C@H]2CCCC[C@@H]21	ZINC000177192904	823395559	/nfs/dbraw/zinc/39/55/59/823395559.db2.gz	QYCIYMFJFAJGJK-AYBZRNKSSA-N	1	1	389.590	4.379	20	30		GIEDMO
Cc1sc(NC(=O)C[N@H+]2CCC[C@@H]2c2cccc(N(C)C)c2)c(C#N)c1C	ZINC000177200941	823398026	/nfs/dbraw/zinc/39/80/26/823398026.db2.gz	IIPNCKODWWOAHJ-LJQANCHMSA-N	1	1	382.533	4.078	20	30		GIEDMO
Cc1sc(NC(=O)C[N@@H+]2CCC[C@@H]2c2cccc(N(C)C)c2)c(C#N)c1C	ZINC000177200941	823398035	/nfs/dbraw/zinc/39/80/35/823398035.db2.gz	IIPNCKODWWOAHJ-LJQANCHMSA-N	1	1	382.533	4.078	20	30		GIEDMO
Cc1ccc(C#N)cc1NC(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1	ZINC000572804767	823402285	/nfs/dbraw/zinc/40/22/85/823402285.db2.gz	WWMHPNNTPBRGGG-OAQYLSRUSA-N	1	1	376.504	4.291	20	30		GIEDMO
C=C(C)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC[N@H+](CC)CC1	ZINC000460554237	823430122	/nfs/dbraw/zinc/43/01/22/823430122.db2.gz	CRGGZVDKXTXTPU-HXUWFJFHSA-N	1	1	397.567	4.143	20	30		GIEDMO
C=C(C)Cn1c(C2CC2)nnc1N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1	ZINC000460556226	823431291	/nfs/dbraw/zinc/43/12/91/823431291.db2.gz	SFSADHYZPWYXFA-WIYYLYMNSA-N	1	1	379.552	4.221	20	30		GIEDMO
COc1ccccc1[C@@H](CNC(=O)c1ccccc1-c1ccccc1C#N)[NH+](C)C	ZINC000027569576	820259905	/nfs/dbraw/zinc/25/99/05/820259905.db2.gz	KQUJSCOMFDMNII-HSZRJFAPSA-N	1	1	399.494	4.267	20	30		GIEDMO
CCC[N@@H+](CCCC1(C#N)CCOCC1)[C@H]1CCCN(Cc2ccccc2)C1	ZINC000410346697	823469354	/nfs/dbraw/zinc/46/93/54/823469354.db2.gz	KFZVOVNZSQRAFU-QHCPKHFHSA-N	1	1	383.580	4.464	20	30		GIEDMO
CCOc1cc(C[N@@H+](C)CCOCc2ccc(C#N)cc2)cc(Cl)c1OC	ZINC000573249644	823470485	/nfs/dbraw/zinc/47/04/85/823470485.db2.gz	SPVXHCAZVWSQHO-UHFFFAOYSA-N	1	1	388.895	4.268	20	30		GIEDMO
C[C@@H](C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1cccc(Cl)c1	ZINC000460686591	823479556	/nfs/dbraw/zinc/47/95/56/823479556.db2.gz	FVXKVPADPIKDRK-QGZVFWFLSA-N	1	1	381.907	4.050	20	30		GIEDMO
C[C@@H](C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)c1cccc(Cl)c1	ZINC000460686591	823479560	/nfs/dbraw/zinc/47/95/60/823479560.db2.gz	FVXKVPADPIKDRK-QGZVFWFLSA-N	1	1	381.907	4.050	20	30		GIEDMO
Cc1ccc(-c2nc(CN3CCC[N@@H+](Cc4ccc(C#N)cc4)CC3)cs2)o1	ZINC000029712114	820503714	/nfs/dbraw/zinc/50/37/14/820503714.db2.gz	RNGFDTDZVSSVMX-UHFFFAOYSA-N	1	1	392.528	4.291	20	30		GIEDMO
Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+]([C@H](C)C2CC2)C2CC2)c1C#N	ZINC000031655188	820839762	/nfs/dbraw/zinc/83/97/62/820839762.db2.gz	OOARXILZYDXWRC-GOSISDBHSA-N	1	1	390.531	4.226	20	30		GIEDMO
C=C(C)Cn1c(-c2ccccc2C)nnc1N1CCC[N@H+](C2CCCC2)CC1	ZINC000460792493	823513702	/nfs/dbraw/zinc/51/37/02/823513702.db2.gz	IYLZEBCVOXYTRF-UHFFFAOYSA-N	1	1	379.552	4.284	20	30		GIEDMO
C=CCc1ccc(OC[C@@H](O)C[N@@H+](C)Cc2ccc(Cl)s2)c(OC)c1	ZINC000060474409	823532001	/nfs/dbraw/zinc/53/20/01/823532001.db2.gz	ZYDZDRMXQWHHAF-HNNXBMFYSA-N	1	1	381.925	4.010	20	30		GIEDMO
COc1ccc(C)cc1NC(=O)[C@H]([NH2+]Cc1cccc(C#N)c1)c1ccccc1	ZINC000042183248	821279943	/nfs/dbraw/zinc/27/99/43/821279943.db2.gz	JAGZKBOPRYDKQV-HSZRJFAPSA-N	1	1	385.467	4.345	20	30		GIEDMO
C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1ccc(C#N)cc1Br	ZINC000180956466	821555434	/nfs/dbraw/zinc/55/54/34/821555434.db2.gz	PCRJODVQLSTZME-CQSZACIVSA-N	1	1	396.292	4.094	20	30		GIEDMO
C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)Cc1ccc(C#N)cc1Br	ZINC000180956466	821555435	/nfs/dbraw/zinc/55/54/35/821555435.db2.gz	PCRJODVQLSTZME-CQSZACIVSA-N	1	1	396.292	4.094	20	30		GIEDMO
N#CCc1cccc(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1	ZINC000044820662	821669004	/nfs/dbraw/zinc/66/90/04/821669004.db2.gz	XIWREJGMVQUTJY-UHFFFAOYSA-N	1	1	395.506	4.300	20	30		GIEDMO
C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)c1ccc(C2(C#N)CC2)cc1	ZINC000181536171	821871876	/nfs/dbraw/zinc/87/18/76/821871876.db2.gz	SCVZDOXJZWRZHS-UHFFFAOYSA-N	1	1	399.494	4.397	20	30		GIEDMO
C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)c1ccc(C2(C#N)CC2)cc1	ZINC000181536171	821871892	/nfs/dbraw/zinc/87/18/92/821871892.db2.gz	SCVZDOXJZWRZHS-UHFFFAOYSA-N	1	1	399.494	4.397	20	30		GIEDMO
C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1F)C(=O)Nc1c(F)c(F)c(F)c(F)c1F	ZINC000181587134	821891825	/nfs/dbraw/zinc/89/18/25/821891825.db2.gz	OHBYTAQEMJCJSF-NKWVEPMBSA-N	1	1	394.290	4.338	20	30		GIEDMO
CC[C@@H]([NH2+]CC(=O)Nc1ccccc1S[C@H](C)CC#N)c1c(C)noc1C	ZINC000182412787	822234162	/nfs/dbraw/zinc/23/41/62/822234162.db2.gz	WFXXAASSHATNGI-CZUORRHYSA-N	1	1	386.521	4.365	20	30		GIEDMO
CC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C1	ZINC000178033882	822291516	/nfs/dbraw/zinc/29/15/16/822291516.db2.gz	LHZUWPSMSQJMDB-SFHVURJKSA-N	1	1	378.476	4.156	20	30		GIEDMO
C=CCN1CCC([NH2+][C@@H](c2ccco2)c2ccc(Br)cc2)CC1	ZINC000182640332	822335218	/nfs/dbraw/zinc/33/52/18/822335218.db2.gz	FZSQFRJDBLNYAQ-LJQANCHMSA-N	1	1	375.310	4.372	20	30		GIEDMO
N#C[C@@H](c1ccccc1)N1CC[NH+](Cc2cccc(OCc3ccccn3)c2)CC1	ZINC000178868210	822417770	/nfs/dbraw/zinc/41/77/70/822417770.db2.gz	WDPKHSMAPXOVDS-VWLOTQADSA-N	1	1	398.510	4.043	20	30		GIEDMO
N#Cc1ccccc1N1CCC[N@@H+](Cc2coc(-c3cccc(F)c3)n2)CC1	ZINC000046086804	822440600	/nfs/dbraw/zinc/44/06/00/822440600.db2.gz	PUBIGMFXQXKUKL-UHFFFAOYSA-N	1	1	376.435	4.065	20	30		GIEDMO
N#Cc1ccccc1N1CCC[N@H+](Cc2coc(-c3cccc(F)c3)n2)CC1	ZINC000046086804	822440604	/nfs/dbraw/zinc/44/06/04/822440604.db2.gz	PUBIGMFXQXKUKL-UHFFFAOYSA-N	1	1	376.435	4.065	20	30		GIEDMO
N#Cc1ccccc1N1CCC[N@@H+](Cc2coc(-c3ccc(F)cc3)n2)CC1	ZINC000046087111	822440715	/nfs/dbraw/zinc/44/07/15/822440715.db2.gz	CSCMFGADFOVHIH-UHFFFAOYSA-N	1	1	376.435	4.065	20	30		GIEDMO
N#Cc1ccccc1N1CCC[N@H+](Cc2coc(-c3ccc(F)cc3)n2)CC1	ZINC000046087111	822440716	/nfs/dbraw/zinc/44/07/16/822440716.db2.gz	CSCMFGADFOVHIH-UHFFFAOYSA-N	1	1	376.435	4.065	20	30		GIEDMO
CC(C)(Cc1ccc(C#N)cc1)C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1	ZINC000454468078	822480238	/nfs/dbraw/zinc/48/02/38/822480238.db2.gz	JIWUPZNLSNDVFD-UHFFFAOYSA-N	1	1	393.506	4.001	20	30		GIEDMO
CC(C)(Cc1ccc(C#N)cc1)C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1	ZINC000454468078	822480241	/nfs/dbraw/zinc/48/02/41/822480241.db2.gz	JIWUPZNLSNDVFD-UHFFFAOYSA-N	1	1	393.506	4.001	20	30		GIEDMO
C=C[C@H](CC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1)c1ccccc1	ZINC000179552952	822502226	/nfs/dbraw/zinc/50/22/26/822502226.db2.gz	QVKHIAKDXYIFFK-HUVFLSCGSA-N	1	1	397.607	4.142	20	30		GIEDMO
C=CCOc1c(Br)cc(C[N@H+](C)Cc2ccncc2)cc1OC	ZINC000183745077	822521019	/nfs/dbraw/zinc/52/10/19/822521019.db2.gz	RDYPYEMZKMEYPU-UHFFFAOYSA-N	1	1	377.282	4.050	20	30		GIEDMO
C=CCOc1c(Br)cc(C[N@@H+](C)Cc2ccncc2)cc1OC	ZINC000183745077	822521021	/nfs/dbraw/zinc/52/10/21/822521021.db2.gz	RDYPYEMZKMEYPU-UHFFFAOYSA-N	1	1	377.282	4.050	20	30		GIEDMO
C[C@H]1CN(C(=O)N[C@H](CCC#N)c2ccccc2)CC[N@@H+](Cc2ccccc2)C1	ZINC000454724998	822523782	/nfs/dbraw/zinc/52/37/82/822523782.db2.gz	UUMHOIMWKRJCER-NFBKMPQASA-N	1	1	390.531	4.195	20	30		GIEDMO
CC[C@@H](c1ccncc1)[N@H+](C)CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1	ZINC000179695843	822529266	/nfs/dbraw/zinc/52/92/66/822529266.db2.gz	NHYNLUZRIREECL-FQEVSTJZSA-N	1	1	384.911	4.373	20	30		GIEDMO
CC[C@@H](c1ccncc1)[N@@H+](C)CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1	ZINC000179695843	822529270	/nfs/dbraw/zinc/52/92/70/822529270.db2.gz	NHYNLUZRIREECL-FQEVSTJZSA-N	1	1	384.911	4.373	20	30		GIEDMO
C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	ZINC000179843452	822564842	/nfs/dbraw/zinc/56/48/42/822564842.db2.gz	GSAOJNFKKNCYLI-QFBILLFUSA-N	1	1	376.460	4.051	20	30		GIEDMO
CC[C@@H](CC#N)[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1	ZINC000184091063	822576532	/nfs/dbraw/zinc/57/65/32/822576532.db2.gz	AZUSVQNHEQEDIA-SFHVURJKSA-N	1	1	375.432	4.229	20	30		GIEDMO
C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1	ZINC000184299539	822610832	/nfs/dbraw/zinc/61/08/32/822610832.db2.gz	MUOREFIJSMDNDB-OALUTQOASA-N	1	1	398.551	4.486	20	30		GIEDMO
C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C	ZINC000180089567	822613096	/nfs/dbraw/zinc/61/30/96/822613096.db2.gz	KFPUGQAXUAEKFJ-MOPGFXCFSA-N	1	1	392.503	4.106	20	30		GIEDMO
Cc1nc2c(s1)[C@H]([N@H+](C)Cc1cn(C)nc1-c1ccc(C#N)cc1)CCC2	ZINC000180148868	822626903	/nfs/dbraw/zinc/62/69/03/822626903.db2.gz	NMLCHGSZNOIBIM-LJQANCHMSA-N	1	1	377.517	4.233	20	30		GIEDMO
C[C@@H]([NH2+][C@H](C)c1nc(C(C)(C)C)cs1)C(=O)N(CCC#N)c1ccccc1	ZINC000184494919	822645244	/nfs/dbraw/zinc/64/52/44/822645244.db2.gz	HXOKFUMOICGREV-HZPDHXFCSA-N	1	1	384.549	4.427	20	30		GIEDMO
CCCC[N@@H+](C)CC1CCN(C(=O)Nc2ccc(CC#N)cc2Cl)CC1	ZINC000455704774	822707746	/nfs/dbraw/zinc/70/77/46/822707746.db2.gz	OCHHXXKXRUOODT-UHFFFAOYSA-N	1	1	376.932	4.382	20	30		GIEDMO
N#CCCn1cc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2ccco2)c(-c2ccccc2)n1	ZINC000180601449	822709216	/nfs/dbraw/zinc/70/92/16/822709216.db2.gz	LJRWQGCBUSNJTO-SFTDATJTSA-N	1	1	390.487	4.145	20	30		GIEDMO
CC(C)(C)Oc1ccc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1C#N	ZINC000455766099	822722454	/nfs/dbraw/zinc/72/24/54/822722454.db2.gz	HTCGTZYQQVZALN-OXJNMPFZSA-N	1	1	396.535	4.216	20	30		GIEDMO
C[C@@H]1C[C@H](N(C)C(=O)Nc2cnc(C#N)c(Cl)c2)CC[N@H+]1Cc1ccccc1	ZINC000455777253	822724519	/nfs/dbraw/zinc/72/45/19/822724519.db2.gz	GBSGDXYOWITUTL-CRAIPNDOSA-N	1	1	397.910	4.123	20	30		GIEDMO
C[C@@H]1CN(C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)CC[N@H+](C2CCC2)C1	ZINC000455776720	822724526	/nfs/dbraw/zinc/72/45/26/822724526.db2.gz	SIIBRVJNVUSHBQ-INIZCTEOSA-N	1	1	384.524	4.074	20	30		GIEDMO
Cc1cc(C#N)cc(NC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1	ZINC000456000987	822764489	/nfs/dbraw/zinc/76/44/89/822764489.db2.gz	LSAKZOKXARXQHF-AVRDEDQJSA-N	1	1	376.504	4.384	20	30		GIEDMO
Cc1cnc([C@@H]([NH2+]CC(=O)N(CCC#N)c2cccc(C)c2C)C2CC2)s1	ZINC000185332767	822767427	/nfs/dbraw/zinc/76/74/27/822767427.db2.gz	LMEGYROABOFWRA-FQEVSTJZSA-N	1	1	382.533	4.056	20	30		GIEDMO
N#C[C@H](c1ccccc1)N1CC[NH+](Cc2ccc(OCc3ccccn3)cc2)CC1	ZINC000174578563	822807519	/nfs/dbraw/zinc/80/75/19/822807519.db2.gz	POQYEKTYQSLXFC-RUZDIDTESA-N	1	1	398.510	4.043	20	30		GIEDMO
COc1ccc(C[N@@H+](CCC(=O)Nc2sccc2C#N)[C@H](C)C2CC2)cc1	ZINC000052774532	822810181	/nfs/dbraw/zinc/81/01/81/822810181.db2.gz	MGGCMHJZCKMUBQ-OAHLLOKOSA-N	1	1	383.517	4.258	20	30		GIEDMO
N#Cc1ccsc1NC(=O)CC[N@@H+]1CCC[C@H]1Cc1c(F)cccc1Cl	ZINC000053086093	822820898	/nfs/dbraw/zinc/82/08/98/822820898.db2.gz	ZXEQREVKAGEZPA-AWEZNQCLSA-N	1	1	391.899	4.448	20	30		GIEDMO
CCC[N@@H+](CC(=O)c1cn(CCC#N)c2ccccc12)Cc1ccccc1O	ZINC000174840311	822844837	/nfs/dbraw/zinc/84/48/37/822844837.db2.gz	ZFPNVNIPNUZTLP-UHFFFAOYSA-N	1	1	375.472	4.355	20	30		GIEDMO
CCC[C@H](NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)c1ccccc1	ZINC000053976566	822855169	/nfs/dbraw/zinc/85/51/69/822855169.db2.gz	QHUOSWUCCMKQSF-QHCPKHFHSA-N	1	1	390.531	4.317	20	30		GIEDMO
C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1Cc2ccccc2C2(CC2)C1	ZINC000186151984	822855992	/nfs/dbraw/zinc/85/59/92/822855992.db2.gz	WXPPKRHHHSPMGJ-QGZVFWFLSA-N	1	1	377.463	4.008	20	30		GIEDMO
C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1Cc2ccccc2C2(CC2)C1	ZINC000186151984	822855995	/nfs/dbraw/zinc/85/59/95/822855995.db2.gz	WXPPKRHHHSPMGJ-QGZVFWFLSA-N	1	1	377.463	4.008	20	30		GIEDMO
C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1Cc2ccccc2C2(CC2)C1	ZINC000186151963	822856028	/nfs/dbraw/zinc/85/60/28/822856028.db2.gz	WXPPKRHHHSPMGJ-KRWDZBQOSA-N	1	1	377.463	4.008	20	30		GIEDMO
C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1Cc2ccccc2C2(CC2)C1	ZINC000186151963	822856032	/nfs/dbraw/zinc/85/60/32/822856032.db2.gz	WXPPKRHHHSPMGJ-KRWDZBQOSA-N	1	1	377.463	4.008	20	30		GIEDMO
N#CCCC[C@H]([NH2+]Cc1ncc(I)s1)c1ccccc1	ZINC000569030058	822871295	/nfs/dbraw/zinc/87/12/95/822871295.db2.gz	DSJWLQZZCPLITG-ZDUSSCGKSA-N	1	1	397.285	4.272	20	30		GIEDMO
C[C@@H](c1cccc(C(F)(F)F)c1)[N@@H+](Cc1cnc2c(C#N)cnn2c1)C1CC1	ZINC000569364739	822911539	/nfs/dbraw/zinc/91/15/39/822911539.db2.gz	UFBBDYIUTQVMIC-ZDUSSCGKSA-N	1	1	385.393	4.345	20	30		GIEDMO
C=CCn1c(-c2cccnc2)nn(C[N@H+]2CC[C@H](c3ccccc3)[C@H]2C)c1=S	ZINC000175269613	822920458	/nfs/dbraw/zinc/92/04/58/822920458.db2.gz	YBCKZIHZEDXRTD-XLIONFOSSA-N	1	1	391.544	4.498	20	30		GIEDMO
C=CCn1c(-c2cccnc2)nn(C[N@@H+]2CC[C@H](c3ccccc3)[C@H]2C)c1=S	ZINC000175269613	822920462	/nfs/dbraw/zinc/92/04/62/822920462.db2.gz	YBCKZIHZEDXRTD-XLIONFOSSA-N	1	1	391.544	4.498	20	30		GIEDMO
C[N@H+](CCOCc1ccc(C#N)cc1)[C@H](C(=O)Nc1ccccc1)c1ccccc1	ZINC000569586149	822942400	/nfs/dbraw/zinc/94/24/00/822942400.db2.gz	SFYQCFCAPZUTCG-DEOSSOPVSA-N	1	1	399.494	4.387	20	30		GIEDMO
C[N@@H+](CCOCc1ccc(C#N)cc1)[C@H](C(=O)Nc1ccccc1)c1ccccc1	ZINC000569586149	822942404	/nfs/dbraw/zinc/94/24/04/822942404.db2.gz	SFYQCFCAPZUTCG-DEOSSOPVSA-N	1	1	399.494	4.387	20	30		GIEDMO
CCC[C@H](C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)c1ccccc1	ZINC000055294192	822950181	/nfs/dbraw/zinc/95/01/81/822950181.db2.gz	BPSLORLYTJBWNM-QHCPKHFHSA-N	1	1	375.516	4.176	20	30		GIEDMO
C=CCOc1ccc(Br)cc1NC(=O)CCn1cc[nH+]c1C(C)C	ZINC000458028946	822951989	/nfs/dbraw/zinc/95/19/89/822951989.db2.gz	GGBKLVZBFNMOFI-UHFFFAOYSA-N	1	1	392.297	4.363	20	30		GIEDMO
C[N@H+]1CCC[C@@H](CCNC(=O)c2ccccc2SCc2ccc(C#N)cc2)C1	ZINC000458169056	822964649	/nfs/dbraw/zinc/96/46/49/822964649.db2.gz	FDQNGEREUBHOHH-IBGZPJMESA-N	1	1	393.556	4.312	20	30		GIEDMO
CC[C@H]1C[N@H+](C)CCN1C(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1	ZINC000569879676	822979967	/nfs/dbraw/zinc/97/99/67/822979967.db2.gz	CTTZTENXLUEPLM-KRWDZBQOSA-N	1	1	383.879	4.170	20	30		GIEDMO
CC[C@H]1C[N@@H+](C)CCN1C(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1	ZINC000569879676	822979968	/nfs/dbraw/zinc/97/99/68/822979968.db2.gz	CTTZTENXLUEPLM-KRWDZBQOSA-N	1	1	383.879	4.170	20	30		GIEDMO
C[N@H+]1CCC[C@@H](CNC(=O)Nc2ccc(Sc3ccccc3C#N)cc2)C1	ZINC000570138772	823009638	/nfs/dbraw/zinc/00/96/38/823009638.db2.gz	IOXGNBQOXMPKRF-INIZCTEOSA-N	1	1	380.517	4.173	20	30		GIEDMO
C[C@H]1C[C@@H](N(C)C(=O)C2(c3ccc(C#N)cc3)CC2)CC[N@H+]1Cc1ccccc1	ZINC000187162748	823019480	/nfs/dbraw/zinc/01/94/80/823019480.db2.gz	DSYFYDSEJWAXIV-CVDCTZTESA-N	1	1	387.527	4.101	20	30		GIEDMO
C[C@H]1C[C@@H](N(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CC[N@H+]1C	ZINC000175711027	823025172	/nfs/dbraw/zinc/02/51/72/823025172.db2.gz	FUZYVNKJIQRGSG-LPHOPBHVSA-N	1	1	378.476	4.297	20	30		GIEDMO
C=C(C)Cn1c(Cc2cccc3ccccc32)nnc1N1CCC[N@H+](CC)CC1	ZINC000460959340	823550942	/nfs/dbraw/zinc/55/09/42/823550942.db2.gz	MSHPSUOECULHQF-UHFFFAOYSA-N	1	1	389.547	4.130	20	30		GIEDMO
C=CCc1cc(C[NH2+][C@H](C)c2nc(-c3ccncc3)cs2)cc(OC)c1O	ZINC000124064767	823564502	/nfs/dbraw/zinc/56/45/02/823564502.db2.gz	XUYLEANORJEADI-CQSZACIVSA-N	1	1	381.501	4.499	20	30		GIEDMO
CC(C)(CNCc1cccc(OCc2cccc(C#N)c2)c1)[NH+]1CCCCC1	ZINC000060958695	823569448	/nfs/dbraw/zinc/56/94/48/823569448.db2.gz	USOBIJNYVPJJDA-UHFFFAOYSA-N	1	1	377.532	4.491	20	30		GIEDMO
CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)c1cccc(Oc2ccc(C#N)cc2)c1	ZINC000461272254	823610126	/nfs/dbraw/zinc/61/01/26/823610126.db2.gz	OPBUCJXLNLVJSO-FQEVSTJZSA-N	1	1	377.488	4.297	20	30		GIEDMO
CN(CCC#N)c1ccc(CNc2ccc(N3CC[NH+](C)CC3)c(Cl)c2)cc1	ZINC000124754822	823623623	/nfs/dbraw/zinc/62/36/23/823623623.db2.gz	VPFGEGPRLZGJRI-UHFFFAOYSA-N	1	1	397.954	4.054	20	30		GIEDMO
N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c1	ZINC000412194744	823634558	/nfs/dbraw/zinc/63/45/58/823634558.db2.gz	ONLXPPUPKFWUPG-CXSMSNRLSA-N	1	1	399.538	4.175	20	30		GIEDMO
CC[C@@H](C)[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1cc(C#N)n(C)c1	ZINC000191179785	823656891	/nfs/dbraw/zinc/65/68/91/823656891.db2.gz	DJPPJBPEXGMFIQ-CQSZACIVSA-N	1	1	392.425	4.155	20	30		GIEDMO
CC[C@@H](C)[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1cc(C#N)n(C)c1	ZINC000191179785	823656895	/nfs/dbraw/zinc/65/68/95/823656895.db2.gz	DJPPJBPEXGMFIQ-CQSZACIVSA-N	1	1	392.425	4.155	20	30		GIEDMO
CN(C(=O)C[NH2+]C(c1ccc(F)cc1)c1ccc(F)cc1)C1(C#N)CCCCC1	ZINC000063471207	823674302	/nfs/dbraw/zinc/67/43/02/823674302.db2.gz	KHUXHZRKZFWHPM-UHFFFAOYSA-N	1	1	397.469	4.329	20	30		GIEDMO
CC(C)[N@@H+](CC(=O)N(C)[C@@H]1CCCc2ccccc21)Cc1ccc(C#N)cc1	ZINC000063751226	823693581	/nfs/dbraw/zinc/69/35/81/823693581.db2.gz	JZIAKMXWPRKJOP-HSZRJFAPSA-N	1	1	375.516	4.305	20	30		GIEDMO
N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CC=C(c3cccc4ccccc43)CC2)cc1	ZINC000063774982	823694879	/nfs/dbraw/zinc/69/48/79/823694879.db2.gz	RGGVXOOEMSTZBJ-QHCPKHFHSA-N	1	1	398.506	4.435	20	30		GIEDMO
C[C@H](C(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C)c1cccc(C#N)c1	ZINC000461908270	823749168	/nfs/dbraw/zinc/74/91/68/823749168.db2.gz	DGUYZUPVWYDGIG-OALUTQOASA-N	1	1	375.516	4.353	20	30		GIEDMO
N#Cc1ccc(Oc2ccc(NC(=O)c3cc(C[NH+]4CCCC4)on3)cc2)cc1	ZINC000461930543	823762121	/nfs/dbraw/zinc/76/21/21/823762121.db2.gz	DMKPZZZSNKJZQK-UHFFFAOYSA-N	1	1	388.427	4.187	20	30		GIEDMO
Cc1ccnc([C@@H]2CC[N@H+](CC(=O)N(CCC#N)c3ccc(Cl)c(C)c3)C2)c1	ZINC000574700709	823803700	/nfs/dbraw/zinc/80/37/00/823803700.db2.gz	HNGOZBXNFDSUGV-GOSISDBHSA-N	1	1	396.922	4.088	20	30		GIEDMO
Cc1ccnc([C@@H]2CC[N@@H+](CC(=O)N(CCC#N)c3ccc(Cl)c(C)c3)C2)c1	ZINC000574700709	823803713	/nfs/dbraw/zinc/80/37/13/823803713.db2.gz	HNGOZBXNFDSUGV-GOSISDBHSA-N	1	1	396.922	4.088	20	30		GIEDMO
CC[C@@H]1CN(c2ccccc2)CC[N@H+]1Cc1ccc(OC)c(OCCCC#N)c1	ZINC000462077908	823821219	/nfs/dbraw/zinc/82/12/19/823821219.db2.gz	ZEXIBYXSXKKHDR-OAQYLSRUSA-N	1	1	393.531	4.479	20	30		GIEDMO
CCC(CC)[N@@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)C1CC1	ZINC000165342836	823844411	/nfs/dbraw/zinc/84/44/11/823844411.db2.gz	APTZURYGTQCJAW-UHFFFAOYSA-N	1	1	382.508	4.209	20	30		GIEDMO
CSCC[C@H](C)[N@@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1	ZINC000126395989	823856691	/nfs/dbraw/zinc/85/66/91/823856691.db2.gz	YGQSVMWASHLDFZ-INIZCTEOSA-N	1	1	398.576	4.037	20	30		GIEDMO
N#Cc1ccc(C[N@@H+]2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)cc1F	ZINC000192097326	823859137	/nfs/dbraw/zinc/85/91/37/823859137.db2.gz	KQAPKPKIIFSVJQ-QGZVFWFLSA-N	1	1	380.398	4.266	20	30		GIEDMO
C[C@@H](C(=O)Nc1ccc(OCC[N@H+]2CC[C@H](C)C2)cc1)c1cccc(C#N)c1	ZINC000462200913	823867157	/nfs/dbraw/zinc/86/71/57/823867157.db2.gz	ICZDKSMWRPIHMT-ZWKOTPCHSA-N	1	1	377.488	4.021	20	30		GIEDMO
C[C@@H](C(=O)Nc1ccc(OCC[N@H+]2CC[C@@H](C)C2)cc1)c1cccc(C#N)c1	ZINC000462200911	823867213	/nfs/dbraw/zinc/86/72/13/823867213.db2.gz	ICZDKSMWRPIHMT-QZTJIDSGSA-N	1	1	377.488	4.021	20	30		GIEDMO
COc1ccc(C#N)cc1NC(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C	ZINC000064742890	823877745	/nfs/dbraw/zinc/87/77/45/823877745.db2.gz	JITCVNGXNBQKCR-QGZVFWFLSA-N	1	1	392.503	4.263	20	30		GIEDMO
Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+](C2CC2)C2CCCC2)c1C#N	ZINC000064808611	823889222	/nfs/dbraw/zinc/88/92/22/823889222.db2.gz	KIBMUWMBPZQSGY-UHFFFAOYSA-N	1	1	390.531	4.370	20	30		GIEDMO
Cc1oc(NC(=O)[C@H](C)[N@H+](C)Cc2ccc(OC(F)(F)F)cc2)c(C#N)c1C	ZINC000126836678	823963095	/nfs/dbraw/zinc/96/30/95/823963095.db2.gz	XBTKWBKYMCQTKF-LBPRGKRZSA-N	1	1	395.381	4.126	20	30		GIEDMO
Cc1oc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccc(OC(F)(F)F)cc2)c(C#N)c1C	ZINC000126836678	823963104	/nfs/dbraw/zinc/96/31/04/823963104.db2.gz	XBTKWBKYMCQTKF-LBPRGKRZSA-N	1	1	395.381	4.126	20	30		GIEDMO
C[C@@H](C(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1cccc(C#N)c1	ZINC000462434492	823973742	/nfs/dbraw/zinc/97/37/42/823973742.db2.gz	CXGKXLDESBWSIV-KNQAVFIVSA-N	1	1	375.516	4.080	20	30		GIEDMO
C[N@@H+](C[C@H](O)COc1ccc(CC#N)cc1)C1c2ccccc2-c2ccccc21	ZINC000127075997	824012434	/nfs/dbraw/zinc/01/24/34/824012434.db2.gz	JSMRQAXHQZPSAD-IBGZPJMESA-N	1	1	384.479	4.194	20	30		GIEDMO
CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)Nc1ccc(C#N)c(F)c1	ZINC000575958955	824037865	/nfs/dbraw/zinc/03/78/65/824037865.db2.gz	CQHFEHJEKOJAGP-HXUWFJFHSA-N	1	1	380.467	4.120	20	30		GIEDMO
N#Cc1c(NC(=O)CC[N@@H+]2CCC[C@@H](C(F)(F)F)C2)sc2c1CCCC2	ZINC000011218975	221113765	/nfs/dbraw/zinc/11/37/65/221113765.db2.gz	BJKJHWAQGDCMBH-GFCCVEGCSA-N	1	1	385.455	4.101	20	30		GIEDMO
N#Cc1cc(Cl)c(Cl)nc1N1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21	ZINC001164627253	719078776	/nfs/dbraw/zinc/07/87/76/719078776.db2.gz	QAVHIMBXAOZRCJ-YJBOKZPZSA-N	1	1	387.314	4.361	20	30		GIEDMO
N#Cc1nc(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c(Cl)cc1Cl	ZINC001164623339	719108649	/nfs/dbraw/zinc/10/86/49/719108649.db2.gz	CMLJLMRSZFIYQS-KXBFYZLASA-N	1	1	387.314	4.361	20	30		GIEDMO
Cc1nc(C[N@H+]2CCCC23CCN(c2ccc(Cl)c(C#N)n2)CC3)cs1	ZINC001164693420	719804943	/nfs/dbraw/zinc/80/49/43/719804943.db2.gz	SRZQDKPBQLXYLP-UHFFFAOYSA-N	1	1	387.940	4.007	20	30		GIEDMO
CC(C)c1ccc(C#N)c(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)n1	ZINC001165021515	721802891	/nfs/dbraw/zinc/80/28/91/721802891.db2.gz	HKXRZSWNFPCYHF-IEIRFRATSA-N	1	1	389.547	4.209	20	30		GIEDMO
CCN(CCC#N)c1nc(C[NH+]2CCCCC2)nc2sc3c(c21)CCCC3	ZINC001165049337	721987681	/nfs/dbraw/zinc/98/76/81/721987681.db2.gz	YEZDHAMJTMDIKZ-UHFFFAOYSA-N	1	1	383.565	4.296	20	30		GIEDMO
N#Cc1c2c(cnc1N1CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C1)CCCC2	ZINC001164996970	722213457	/nfs/dbraw/zinc/21/34/57/722213457.db2.gz	PNVOHBSEBPGCEH-XMMPIXPASA-N	1	1	390.506	4.216	20	30		GIEDMO
C[C@@H]([NH2+]C1(CN[C@H]2CCc3ccc(C#N)cc32)CCOCC1)c1ccccc1	ZINC000570487974	823044966	/nfs/dbraw/zinc/04/49/66/823044966.db2.gz	FKVKAGYSJXIUMC-JPYJTQIMSA-N	1	1	375.516	4.035	20	30		GIEDMO
CC(C)[N@@H+]1CC[C@H](NC(=O)N(C)CC(C)(C)C#N)[C@@H]1c1ccc(Cl)c(F)c1	ZINC000458647388	823069454	/nfs/dbraw/zinc/06/94/54/823069454.db2.gz	YQMDOBXEAFFSIF-ROUUACIJSA-N	1	1	394.922	4.194	20	30		GIEDMO
CC(C)[N@H+]1CC[C@H](NC(=O)N(C)CC(C)(C)C#N)[C@@H]1c1ccc(Cl)c(F)c1	ZINC000458647388	823069461	/nfs/dbraw/zinc/06/94/61/823069461.db2.gz	YQMDOBXEAFFSIF-ROUUACIJSA-N	1	1	394.922	4.194	20	30		GIEDMO
CN(C(=O)N[C@@H](CCCC#N)c1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000458799967	823087670	/nfs/dbraw/zinc/08/76/70/823087670.db2.gz	KSVHJLRAYZUSIK-PKTZIBPZSA-N	1	1	390.531	4.337	20	30		GIEDMO
Cc1cccc(C[NH+]2CCN(C(=O)N[C@H](CCCC#N)c3ccccc3)CC2)c1	ZINC000458808268	823089737	/nfs/dbraw/zinc/08/97/37/823089737.db2.gz	YVWXKXKWAGLNRU-HSZRJFAPSA-N	1	1	390.531	4.257	20	30		GIEDMO
Cc1nc(C(C)C)sc1[C@@H](C)[N@@H+](C)C[C@H](O)COc1ccc(CC#N)cc1	ZINC000120978232	823096316	/nfs/dbraw/zinc/09/63/16/823096316.db2.gz	WEGVOCGXTGDLEF-AEFFLSMTSA-N	1	1	387.549	4.074	20	30		GIEDMO
CCN(C(=O)NCc1ccc(C#N)c(F)c1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1	ZINC000459109281	823128653	/nfs/dbraw/zinc/12/86/53/823128653.db2.gz	DVNLMNPAALWIQF-DYESRHJHSA-N	1	1	394.494	4.064	20	30		GIEDMO
N#Cc1ccc(C[N@@H+](Cc2ccc(-n3cncn3)cc2)C2CC2)c(C(F)(F)F)c1	ZINC000571216089	823150098	/nfs/dbraw/zinc/15/00/98/823150098.db2.gz	BWYKXNIGEPAQLJ-UHFFFAOYSA-N	1	1	397.404	4.322	20	30		GIEDMO
COc1ccc2[nH]cc(C3CC[NH+](Cc4c(C#N)cccc4[N+](=O)[O-])CC3)c2c1	ZINC000459304187	823158926	/nfs/dbraw/zinc/15/89/26/823158926.db2.gz	NKPSWXKONLIQDJ-UHFFFAOYSA-N	1	1	390.443	4.336	20	30		GIEDMO
C[C@@H]1CN(c2ccccc2C[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)CCO1	ZINC000459340237	823164846	/nfs/dbraw/zinc/16/48/46/823164846.db2.gz	CSVMFSSRHBJHTE-CKUXNOBLSA-N	1	1	375.516	4.183	20	30		GIEDMO
N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H](c2nc3ccc(F)cc3o2)C1	ZINC000459364801	823173152	/nfs/dbraw/zinc/17/31/52/823173152.db2.gz	ANMOSGGTBTVGME-AWEZNQCLSA-N	1	1	380.379	4.126	20	30		GIEDMO
N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CCC[C@H](c2nc3ccc(F)cc3o2)C1	ZINC000459364801	823173154	/nfs/dbraw/zinc/17/31/54/823173154.db2.gz	ANMOSGGTBTVGME-AWEZNQCLSA-N	1	1	380.379	4.126	20	30		GIEDMO
COc1cc(CNc2[nH+]cnc3c2c(C)c(C)n3Cc2ccco2)ccc1C#N	ZINC000571459170	823186145	/nfs/dbraw/zinc/18/61/45/823186145.db2.gz	PEAPEOSENNNCPM-UHFFFAOYSA-N	1	1	387.443	4.182	20	30		GIEDMO
C[C@H]1CC[N@@H+](CCNC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)C1	ZINC000571463255	823186439	/nfs/dbraw/zinc/18/64/39/823186439.db2.gz	QDWLPIJPOLOZEM-HNNXBMFYSA-N	1	1	383.879	4.076	20	30		GIEDMO
CC[N@H+]1CC[C@@H](CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)C1	ZINC000056659195	823191577	/nfs/dbraw/zinc/19/15/77/823191577.db2.gz	UQALHKAKSLWDEC-SFHVURJKSA-N	1	1	378.476	4.122	20	30		GIEDMO
N#Cc1cccc(OCCC[N@@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)c1	ZINC000459662126	823244241	/nfs/dbraw/zinc/24/42/41/823244241.db2.gz	NIVNDLVUAPAZFW-SFHVURJKSA-N	1	1	382.426	4.008	20	30		GIEDMO
CC(C)(C)OC(=O)N1CCc2cccc(C[NH2+]Cc3ccc(C#N)cc3F)c21	ZINC000176601567	823245916	/nfs/dbraw/zinc/24/59/16/823245916.db2.gz	MUJOFGNYEPGZHC-UHFFFAOYSA-N	1	1	381.451	4.285	20	30		GIEDMO
N#Cc1ccc(-c2nnc(C[N@@H+]3CCCCC[C@@H]3C[C@@H](O)c3ccco3)o2)cc1	ZINC000121798969	823253790	/nfs/dbraw/zinc/25/37/90/823253790.db2.gz	KNHKLEMWQDRGPM-RTBURBONSA-N	1	1	392.459	4.070	20	30		GIEDMO
N#CCCCOc1cccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1	ZINC000057177603	823260003	/nfs/dbraw/zinc/26/00/03/823260003.db2.gz	DNSUOBJAPTWJAX-FQEVSTJZSA-N	1	1	377.488	4.220	20	30		GIEDMO
CC1CC[NH+](c2ccc(N[C@@H]3CCN(c4sccc4C#N)C3=O)cc2)CC1	ZINC000176710986	823274424	/nfs/dbraw/zinc/27/44/24/823274424.db2.gz	VJJDIMGBLXFZRU-LJQANCHMSA-N	1	1	380.517	4.073	20	30		GIEDMO
C=CC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccc(Cl)s1	ZINC000409852709	823326681	/nfs/dbraw/zinc/32/66/81/823326681.db2.gz	KASDUFXPELXGPF-UHFFFAOYSA-N	1	1	379.869	4.327	20	30		GIEDMO
CCn1c2ccccc2nc1[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccccc1C#N	ZINC000177045754	823358915	/nfs/dbraw/zinc/35/89/15/823358915.db2.gz	HARLXTZMRAARFS-NRFANRHFSA-N	1	1	387.487	4.094	20	30		GIEDMO
CCC[N@@H+](CC)Cc1ccc(C(=O)N(CCOC)c2ccc(C#N)cc2)cc1	ZINC000460364231	823364433	/nfs/dbraw/zinc/36/44/33/823364433.db2.gz	SITCGFHRJBYVEG-UHFFFAOYSA-N	1	1	379.504	4.083	20	30		GIEDMO
C=C(C)Cn1c(C(C)C)nnc1N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2	ZINC000460377300	823369364	/nfs/dbraw/zinc/36/93/64/823369364.db2.gz	XRUKVOMYGYFLCL-DEOSSOPVSA-N	1	1	393.579	4.470	20	30		GIEDMO
C=C(C)Cn1c(CCCC)nnc1N1CCC(c2[nH+]cc3n2CCCC3)CC1	ZINC000460394561	823375028	/nfs/dbraw/zinc/37/50/28/823375028.db2.gz	NYNBYAXCNBMJFH-UHFFFAOYSA-N	1	1	382.556	4.114	20	30		GIEDMO
N#Cc1ccc(CN2CCC[N@@H+](Cc3cccc(-c4cccnc4)c3)CC2)cc1	ZINC000122815487	823417334	/nfs/dbraw/zinc/41/73/34/823417334.db2.gz	LMMAXJHTVUXHJQ-UHFFFAOYSA-N	1	1	382.511	4.328	20	30		GIEDMO
N#Cc1ccc(C[N@@H+]2CCCN(Cc3cccc(-c4cccnc4)c3)CC2)cc1	ZINC000122815487	823417335	/nfs/dbraw/zinc/41/73/35/823417335.db2.gz	LMMAXJHTVUXHJQ-UHFFFAOYSA-N	1	1	382.511	4.328	20	30		GIEDMO
N#Cc1ccc(C[N@H+]2CCCN(Cc3cccc(-c4cccnc4)c3)CC2)cc1	ZINC000122815487	823417338	/nfs/dbraw/zinc/41/73/38/823417338.db2.gz	LMMAXJHTVUXHJQ-UHFFFAOYSA-N	1	1	382.511	4.328	20	30		GIEDMO
C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC=C(c2ccc(O)cc2)CC1	ZINC000025680405	820014141	/nfs/dbraw/zinc/01/41/41/820014141.db2.gz	ARQKAGPNRVGMRJ-CQSZACIVSA-N	1	1	381.863	4.034	20	30		GIEDMO
C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC=C(c2ccc(O)cc2)CC1	ZINC000025680405	820014150	/nfs/dbraw/zinc/01/41/50/820014150.db2.gz	ARQKAGPNRVGMRJ-CQSZACIVSA-N	1	1	381.863	4.034	20	30		GIEDMO
C[N@@H+](CCC(=O)N[C@H](c1cccs1)c1ccccc1)Cc1cccc(C#N)c1	ZINC000026329344	820084987	/nfs/dbraw/zinc/08/49/87/820084987.db2.gz	MCDLZTBPSKYBTL-QHCPKHFHSA-N	1	1	389.524	4.347	20	30		GIEDMO
Cc1ccccc1C[C@@H](C)[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCC2	ZINC000573410369	823490046	/nfs/dbraw/zinc/49/00/46/823490046.db2.gz	JSKDRGFGWJCUOC-MRXNPFEDSA-N	1	1	381.545	4.309	20	30		GIEDMO
C=CCn1c(-c2cc(Cl)ccc2Cl)nnc1N(C)[C@@H]1CC[N@H+](C2CC2)C1	ZINC000573409871	823489832	/nfs/dbraw/zinc/48/98/32/823489832.db2.gz	ZDLQPGZXYYKACY-OAHLLOKOSA-N	1	1	392.334	4.111	20	30		GIEDMO
Cc1ccc(C)c(SCC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1	ZINC000029983596	820560584	/nfs/dbraw/zinc/56/05/84/820560584.db2.gz	BRKFATKIDWQRGE-UHFFFAOYSA-N	1	1	393.556	4.002	20	30		GIEDMO
Cc1ccc(C)c(SCC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1	ZINC000029983596	820560590	/nfs/dbraw/zinc/56/05/90/820560590.db2.gz	BRKFATKIDWQRGE-UHFFFAOYSA-N	1	1	393.556	4.002	20	30		GIEDMO
C[N@@H+](CC(=O)Nc1ccccc1SCC#N)[C@H]1CC[C@@H](C(F)(F)F)CC1	ZINC000573403179	823488771	/nfs/dbraw/zinc/48/87/71/823488771.db2.gz	QGBJQVDYKHVTLS-OKILXGFUSA-N	1	1	385.455	4.294	20	30		GIEDMO
COc1cc(/C=C/C(=O)c2ccc(-n3cc[nH+]c3C)cc2)c([N+](=O)[O-])cc1OC	ZINC000177616884	823502054	/nfs/dbraw/zinc/50/20/54/823502054.db2.gz	KBANVZNPWVAMQR-RMKNXTFCSA-N	1	1	393.399	4.002	20	30		GIEDMO
C=CCc1cccc(C(C)C)c1NC(=O)C1CC[NH+](Cc2nccn2C)CC1	ZINC000189882176	823509493	/nfs/dbraw/zinc/50/94/93/823509493.db2.gz	CCLODKXKGLZRQP-UHFFFAOYSA-N	1	1	380.536	4.123	20	30		GIEDMO
C=C(C)Cn1c(-c2c[nH]c3ccccc32)nnc1N(C)[C@@H]1CC[N@H+](CC)C[C@H]1C	ZINC000460806188	823517564	/nfs/dbraw/zinc/51/75/64/823517564.db2.gz	WBGBGLCPIHJQJF-DYESRHJHSA-N	1	1	392.551	4.169	20	30		GIEDMO
CC(C)(C)[N@H+]1C[C@@H](C(=O)Nc2ccc(Cl)cc2CC#N)[C@H](C(F)(F)F)C1	ZINC000410974807	823526773	/nfs/dbraw/zinc/52/67/73/823526773.db2.gz	YGEIQUQURCSNJQ-ZIAGYGMSSA-N	1	1	387.833	4.253	20	30		GIEDMO
N#Cc1ccc(C[NH2+][C@H]2CCCOc3c(Br)cccc32)c(F)c1	ZINC000177857951	823537164	/nfs/dbraw/zinc/53/71/64/823537164.db2.gz	GPPMXXFTOYVLEV-KRWDZBQOSA-N	1	1	375.241	4.463	20	30		GIEDMO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)cc1	ZINC000044343109	821574034	/nfs/dbraw/zinc/57/40/34/821574034.db2.gz	UJAMUHWGWAGCTG-UHFFFAOYSA-N	1	1	392.890	4.041	20	30		GIEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)cc1	ZINC000044343109	821574038	/nfs/dbraw/zinc/57/40/38/821574038.db2.gz	UJAMUHWGWAGCTG-UHFFFAOYSA-N	1	1	392.890	4.041	20	30		GIEDMO
C[N@H+]1CCC[C@@H](CNC(=O)c2ccc(C3(C#N)CC3)cc2)[C@@H]1c1cccs1	ZINC000181094170	821630068	/nfs/dbraw/zinc/63/00/68/821630068.db2.gz	QQLCQLWZVFXKPK-FXAWDEMLSA-N	1	1	379.529	4.116	20	30		GIEDMO
C[N@H+]1CCC[C@H](CNC(=O)c2ccc(C3(C#N)CC3)cc2)[C@@H]1c1cccs1	ZINC000181094146	821630196	/nfs/dbraw/zinc/63/01/96/821630196.db2.gz	QQLCQLWZVFXKPK-YLJYHZDGSA-N	1	1	379.529	4.116	20	30		GIEDMO
N#Cc1ccc(CN2CCC([NH2+]Cc3csc(-c4ccccc4)n3)CC2)cc1	ZINC000181608377	821901138	/nfs/dbraw/zinc/90/11/38/821901138.db2.gz	YAKXAWDXYFUDMZ-UHFFFAOYSA-N	1	1	388.540	4.436	20	30		GIEDMO
COc1cc(F)c([C@@H](C)NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1OC	ZINC000181752489	821977343	/nfs/dbraw/zinc/97/73/43/821977343.db2.gz	ZPQBHEIXMOIXOP-MRXNPFEDSA-N	1	1	397.494	4.030	20	30		GIEDMO
C=C(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCC(C[N@H+](C)CCCC)CC1	ZINC000453465120	822369869	/nfs/dbraw/zinc/36/98/69/822369869.db2.gz	MKYYSUJLGQXJOW-FQEVSTJZSA-N	1	1	389.588	4.044	20	30		GIEDMO
CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1	ZINC000182871300	822383382	/nfs/dbraw/zinc/38/33/82/822383382.db2.gz	YBGVWGZBFCHORQ-RXVVDRJESA-N	1	1	382.552	4.131	20	30		GIEDMO
Cc1c(C#N)cccc1NC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1	ZINC000178533646	822389041	/nfs/dbraw/zinc/38/90/41/822389041.db2.gz	YSPCNZHDNYXTTC-FYYLOGMGSA-N	1	1	388.515	4.385	20	30		GIEDMO
Cc1csc([C@H]([NH2+]CC(=O)N(CCC#N)c2ccc(C)c(C)c2)C2CC2)n1	ZINC000183489073	822484385	/nfs/dbraw/zinc/48/43/85/822484385.db2.gz	SQBOHVNBYWQUAJ-HXUWFJFHSA-N	1	1	382.533	4.056	20	30		GIEDMO
Cc1csc([C@H]([NH2+][C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C2CC2)n1	ZINC000183544785	822492897	/nfs/dbraw/zinc/49/28/97/822492897.db2.gz	ILRARQARWZPAAQ-YLJYHZDGSA-N	1	1	396.560	4.444	20	30		GIEDMO
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1	ZINC000454573725	822499031	/nfs/dbraw/zinc/49/90/31/822499031.db2.gz	IPNRGTYJMPOGGW-CALCHBBNSA-N	1	1	378.476	4.215	20	30		GIEDMO
CN(CCC#N)c1ccc(C[N@@H+](C)Cc2ccc(Br)s2)cc1	ZINC000179696407	822529510	/nfs/dbraw/zinc/52/95/10/822529510.db2.gz	OGAKDNCIKUPRKO-UHFFFAOYSA-N	1	1	378.339	4.492	20	30		GIEDMO
CC[N@H+]1CC[C@@H](CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C1	ZINC000046956873	822534148	/nfs/dbraw/zinc/53/41/48/822534148.db2.gz	UMGHOLXYAGSIQK-JXFKEZNVSA-N	1	1	396.922	4.459	20	30		GIEDMO
C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	ZINC000179851041	822566217	/nfs/dbraw/zinc/56/62/17/822566217.db2.gz	OXLRGINFVCUPKH-QFBILLFUSA-N	1	1	376.460	4.051	20	30		GIEDMO
Cc1sc(NC(=O)C[NH2+]C2(c3ccc(F)cc3F)CCC2)c(C#N)c1C	ZINC000179991086	822591999	/nfs/dbraw/zinc/59/19/99/822591999.db2.gz	LSXCINNNLMIDOV-UHFFFAOYSA-N	1	1	375.444	4.122	20	30		GIEDMO
C[C@@H](C#N)Oc1ccccc1NC(=O)N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1	ZINC000180016372	822597234	/nfs/dbraw/zinc/59/72/34/822597234.db2.gz	SJGLTESNKGWYRN-ICSRJNTNSA-N	1	1	392.503	4.106	20	30		GIEDMO
C[C@@H](C#N)Oc1ccccc1NC(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1	ZINC000184302918	822611035	/nfs/dbraw/zinc/61/10/35/822611035.db2.gz	PBSOIENLKHODPA-OALUTQOASA-N	1	1	392.503	4.106	20	30		GIEDMO
C[C@H](C#N)Oc1ccccc1NC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1	ZINC000184303936	822611269	/nfs/dbraw/zinc/61/12/69/822611269.db2.gz	QVCQGEWWOJSQHF-QINHECLXSA-N	1	1	398.532	4.244	20	30		GIEDMO
Cn1cc(C[N@@H+](C)[C@H]2CCCN(c3ccccc3)C2)c(-c2ccc(C#N)cc2)n1	ZINC000180174169	822632357	/nfs/dbraw/zinc/63/23/57/822632357.db2.gz	YLTGSENIIJLBBZ-QHCPKHFHSA-N	1	1	385.515	4.060	20	30		GIEDMO
C[C@@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1nc(C(C)(C)C)cs1	ZINC000184462663	822640067	/nfs/dbraw/zinc/64/00/67/822640067.db2.gz	FAWKFQJFKQFZKH-RHSMWYFYSA-N	1	1	382.533	4.158	20	30		GIEDMO
CCc1nc2c(s1)[C@H]([N@@H+](C)Cc1cn(C)nc1-c1ccc(C#N)cc1)CCC2	ZINC000180223058	822642415	/nfs/dbraw/zinc/64/24/15/822642415.db2.gz	XLAOGAVHTMSGBX-LJQANCHMSA-N	1	1	391.544	4.487	20	30		GIEDMO
CC(C)Oc1ccccc1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000048193578	822644142	/nfs/dbraw/zinc/64/41/42/822644142.db2.gz	PRJZWKJUACSVHP-UHFFFAOYSA-N	1	1	392.503	4.085	20	30		GIEDMO
CC(C)Oc1ccccc1NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000048193578	822644145	/nfs/dbraw/zinc/64/41/45/822644145.db2.gz	PRJZWKJUACSVHP-UHFFFAOYSA-N	1	1	392.503	4.085	20	30		GIEDMO
COCCOc1ccc(C#N)cc1N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1	ZINC000184487412	822644299	/nfs/dbraw/zinc/64/42/99/822644299.db2.gz	RQYIOGLIUMRQBV-INIZCTEOSA-N	1	1	376.460	4.251	20	30		GIEDMO
Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1	ZINC000180503850	822692211	/nfs/dbraw/zinc/69/22/11/822692211.db2.gz	VQJJMOCYZLPKAB-LJQANCHMSA-N	1	1	399.926	4.072	20	30		GIEDMO
Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1	ZINC000180503850	822692213	/nfs/dbraw/zinc/69/22/13/822692213.db2.gz	VQJJMOCYZLPKAB-LJQANCHMSA-N	1	1	399.926	4.072	20	30		GIEDMO
Cc1oc(NC(=O)C[NH2+][C@H](CC(F)(F)F)c2ccc(F)cc2)c(C#N)c1C	ZINC000180559901	822702472	/nfs/dbraw/zinc/70/24/72/822702472.db2.gz	OOFCRIRMRZPTEM-OAHLLOKOSA-N	1	1	383.345	4.129	20	30		GIEDMO
CN(C(=O)Nc1ccc(CC#N)cc1Cl)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000455706820	822708534	/nfs/dbraw/zinc/70/85/34/822708534.db2.gz	QTUVKKOUBGKUKK-SFHVURJKSA-N	1	1	382.895	4.144	20	30		GIEDMO
C[C@H]1CC[N@@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C[C@@H]1n1ccnc1	ZINC000180611874	822712105	/nfs/dbraw/zinc/71/21/05/822712105.db2.gz	YMJSMRVZRXQWHW-CYFREDJKSA-N	1	1	386.499	4.417	20	30		GIEDMO
C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)Nc1ccc(CC#N)cc1Cl	ZINC000455724503	822714249	/nfs/dbraw/zinc/71/42/49/822714249.db2.gz	CDUDFJJHTNALGI-FOIQADDNSA-N	1	1	382.895	4.048	20	30		GIEDMO
CC(C)c1ccc(C[NH+]2CCN(C(=O)Nc3cccc(CC#N)c3)CC2)cc1	ZINC000455902977	822745670	/nfs/dbraw/zinc/74/56/70/822745670.db2.gz	HQXNNWUINMWHDU-UHFFFAOYSA-N	1	1	376.504	4.226	20	30		GIEDMO
C[C@H]1C[C@H](CCNC(=O)Nc2cccc(CC#N)c2)C[N@H+]1Cc1ccccc1	ZINC000455911850	822747667	/nfs/dbraw/zinc/74/76/67/822747667.db2.gz	WTGGTTUYANWVQH-RXVVDRJESA-N	1	1	376.504	4.175	20	30		GIEDMO
C[N@@H+](CCC(=O)Nc1sccc1C#N)C[C@H]1CCCO[C@@H]1c1ccccc1	ZINC000051133510	822747706	/nfs/dbraw/zinc/74/77/06/822747706.db2.gz	BSILAGZWKLQQAI-UYAOXDASSA-N	1	1	383.517	4.048	20	30		GIEDMO
C[N@H+](Cc1ccccc1)CC1CCN(C(=O)Nc2cccc(CC#N)c2)CC1	ZINC000455924242	822750235	/nfs/dbraw/zinc/75/02/35/822750235.db2.gz	VIOUQRTYRKBGAO-UHFFFAOYSA-N	1	1	376.504	4.129	20	30		GIEDMO
Cc1cnc([C@@H]([NH2+]CC(=O)N(CCC#N)c2cc(C)cc(C)c2)C2CC2)s1	ZINC000185314091	822764312	/nfs/dbraw/zinc/76/43/12/822764312.db2.gz	JZDLQZFWPFXUAY-FQEVSTJZSA-N	1	1	382.533	4.056	20	30		GIEDMO
C[C@H](C#N)Oc1ccc(C[NH2+]Cc2ccccc2CN(C)Cc2ccco2)cc1	ZINC000174451034	822791385	/nfs/dbraw/zinc/79/13/85/822791385.db2.gz	HVAAWLOGQWQHAU-LJQANCHMSA-N	1	1	389.499	4.492	20	30		GIEDMO
C[C@H]1C[C@H](N(C)C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)CC[N@H+]1C	ZINC000174494060	822796610	/nfs/dbraw/zinc/79/66/10/822796610.db2.gz	CYWXVTWFKMPSDF-MAUKXSAKSA-N	1	1	396.466	4.436	20	30		GIEDMO
N#Cc1cccc(NC(=O)C[NH+]2CCC(c3nc4cc(Cl)ccc4o3)CC2)c1	ZINC000052993534	822817859	/nfs/dbraw/zinc/81/78/59/822817859.db2.gz	LCBUAPBVWLIXQP-UHFFFAOYSA-N	1	1	394.862	4.171	20	30		GIEDMO
CC1(C)CCC[N@H+]1CCNC(=O)c1ccccc1SCc1ccc(C#N)cc1	ZINC000457084559	822851508	/nfs/dbraw/zinc/85/15/08/822851508.db2.gz	YNTUSCZMJZSJAC-UHFFFAOYSA-N	1	1	393.556	4.455	20	30		GIEDMO
CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@@H](C)Oc2ccc(C#N)cc2)c1	ZINC000054011308	822858720	/nfs/dbraw/zinc/85/87/20/822858720.db2.gz	QDYLONFFDHAEMY-QGZVFWFLSA-N	1	1	388.471	4.332	20	30		GIEDMO
CC[N@H+](Cc1nc(-c2ccc(OC)cc2OC)no1)[C@H](C)c1ccc(C#N)cc1	ZINC000054340253	822877055	/nfs/dbraw/zinc/87/70/55/822877055.db2.gz	XDVNTXCRHPLNIA-OAHLLOKOSA-N	1	1	392.459	4.209	20	30		GIEDMO
CC[N@@H+](Cc1nc(-c2ccc(OC)cc2OC)no1)[C@H](C)c1ccc(C#N)cc1	ZINC000054340253	822877060	/nfs/dbraw/zinc/87/70/60/822877060.db2.gz	XDVNTXCRHPLNIA-OAHLLOKOSA-N	1	1	392.459	4.209	20	30		GIEDMO
Cc1cc(C)c(NC(=O)CCC[N@H+](C)CCOCc2ccc(C#N)cc2)c(C)c1	ZINC000569167925	822887568	/nfs/dbraw/zinc/88/75/68/822887568.db2.gz	LKBZUNCRWPQJAI-UHFFFAOYSA-N	1	1	393.531	4.351	20	30		GIEDMO
C[C@H]1C[C@@H](N(C)C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CC[N@H+]1C	ZINC000175572553	823000037	/nfs/dbraw/zinc/00/00/37/823000037.db2.gz	LTBWKSOBQKFLPT-LPHOPBHVSA-N	1	1	378.476	4.297	20	30		GIEDMO
C[C@@H]1C[C@H](N(C)C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CC[N@H+]1C	ZINC000175572499	823000156	/nfs/dbraw/zinc/00/01/56/823000156.db2.gz	LTBWKSOBQKFLPT-VQIMIIECSA-N	1	1	378.476	4.297	20	30		GIEDMO
CC1(C)C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)CC[C@@H]1C(F)(F)F	ZINC000190176373	823546569	/nfs/dbraw/zinc/54/65/69/823546569.db2.gz	UHXGRMAKKGUXPU-HNNXBMFYSA-N	1	1	399.482	4.347	20	30		GIEDMO
C=C(C)Cn1c(C2CCC2)nnc1N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1	ZINC000460963600	823551797	/nfs/dbraw/zinc/55/17/97/823551797.db2.gz	YWTRCXLQIHSRHR-IBGZPJMESA-N	1	1	379.552	4.223	20	30		GIEDMO
COc1ccc(CCC(=O)N2CCC[N@@H+](CCC3(C#N)CCCCC3)CC2)cc1	ZINC000411228824	823558999	/nfs/dbraw/zinc/55/89/99/823558999.db2.gz	POHILCOJTJQQIE-UHFFFAOYSA-N	1	1	397.563	4.026	20	30		GIEDMO
C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+](Cc3cccnc3)C3CC3)sc2C1	ZINC000411418837	823572085	/nfs/dbraw/zinc/57/20/85/823572085.db2.gz	NZLJJLAWJKQRBH-OAHLLOKOSA-N	1	1	394.544	4.133	20	30		GIEDMO
COc1ccc(C#N)cc1C[NH2+][C@@H](C)c1ccc(Br)cc1OC	ZINC000190431272	823572892	/nfs/dbraw/zinc/57/28/92/823572892.db2.gz	RCSPYFNCALCNHW-LBPRGKRZSA-N	1	1	375.266	4.189	20	30		GIEDMO
CCOc1ccc(Cl)cc1[C@@H](C)[NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000190608039	823590977	/nfs/dbraw/zinc/59/09/77/823590977.db2.gz	IHSKQERKZJUWFC-QRWLVFNGSA-N	1	1	397.906	4.062	20	30		GIEDMO
C=CC[N@@H+](C)CCN(CC)Cc1nc(=O)c2cc(-c3ccccc3)sc2[nH]1	ZINC000411647838	823593885	/nfs/dbraw/zinc/59/38/85/823593885.db2.gz	YXDWQKZFZUWOSC-UHFFFAOYSA-N	1	1	382.533	4.004	20	30		GIEDMO
C=CC[N@H+](C)CCN(CC)Cc1nc(=O)c2cc(-c3ccccc3)sc2[nH]1	ZINC000411647838	823593888	/nfs/dbraw/zinc/59/38/88/823593888.db2.gz	YXDWQKZFZUWOSC-UHFFFAOYSA-N	1	1	382.533	4.004	20	30		GIEDMO
N#CC1(NC(=O)C[N@H+](Cc2cccc(-c3cccnc3)c2)C2CC2)CCCCC1	ZINC000124558006	823606198	/nfs/dbraw/zinc/60/61/98/823606198.db2.gz	HKPUADUDLQKIDC-UHFFFAOYSA-N	1	1	388.515	4.056	20	30		GIEDMO
N#CC1(NC(=O)C[N@@H+](Cc2cccc(-c3cccnc3)c2)C2CC2)CCCCC1	ZINC000124558006	823606202	/nfs/dbraw/zinc/60/62/02/823606202.db2.gz	HKPUADUDLQKIDC-UHFFFAOYSA-N	1	1	388.515	4.056	20	30		GIEDMO
CSc1ccccc1OC[C@@H](O)C[N@H+](Cc1cc(F)ccc1C#N)C(C)C	ZINC000411983983	823617911	/nfs/dbraw/zinc/61/79/11/823617911.db2.gz	MHBGRFULFMZQNI-IBGZPJMESA-N	1	1	388.508	4.070	20	30		GIEDMO
CSc1ccccc1OC[C@@H](O)C[N@@H+](Cc1cc(F)ccc1C#N)C(C)C	ZINC000411983983	823617915	/nfs/dbraw/zinc/61/79/15/823617915.db2.gz	MHBGRFULFMZQNI-IBGZPJMESA-N	1	1	388.508	4.070	20	30		GIEDMO
CSc1ccccc1OC[C@H](O)C[N@H+](Cc1cc(F)ccc1C#N)C(C)C	ZINC000411983984	823618191	/nfs/dbraw/zinc/61/81/91/823618191.db2.gz	MHBGRFULFMZQNI-LJQANCHMSA-N	1	1	388.508	4.070	20	30		GIEDMO
CSc1ccccc1OC[C@H](O)C[N@@H+](Cc1cc(F)ccc1C#N)C(C)C	ZINC000411983984	823618192	/nfs/dbraw/zinc/61/81/92/823618192.db2.gz	MHBGRFULFMZQNI-LJQANCHMSA-N	1	1	388.508	4.070	20	30		GIEDMO
C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CC2(CCOCC2)[C@H]1c1ccccc1	ZINC000411999624	823619867	/nfs/dbraw/zinc/61/98/67/823619867.db2.gz	NBVCPLSQXQZHKQ-LADGPHEKSA-N	1	1	393.527	4.009	20	30		GIEDMO
N#CCCn1cc(C[NH2+]Cc2csc(-c3ccco3)n2)c(-c2ccccc2)n1	ZINC000124740874	823622581	/nfs/dbraw/zinc/62/25/81/823622581.db2.gz	DXHZTWPZZNMWSO-UHFFFAOYSA-N	1	1	389.484	4.470	20	30		GIEDMO
C[N@@H+](Cc1ccccc1NC(=O)Nc1ccn(CCC#N)n1)C1CCCCC1	ZINC000190952695	823629680	/nfs/dbraw/zinc/62/96/80/823629680.db2.gz	OKXLVEQILRTNBQ-UHFFFAOYSA-N	1	1	380.496	4.205	20	30		GIEDMO
CC(C)(C#N)c1ccc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1	ZINC000461427035	823634494	/nfs/dbraw/zinc/63/44/94/823634494.db2.gz	GCICCIFAAGASIM-FGZHOGPDSA-N	1	1	387.527	4.082	20	30		GIEDMO
CCC[C@H](C)[N@@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccc(F)cc1	ZINC000063499557	823676437	/nfs/dbraw/zinc/67/64/37/823676437.db2.gz	OUHHTQRHNAMWFM-HNNXBMFYSA-N	1	1	384.499	4.223	20	30		GIEDMO
Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[NH+]2CCC(OC3CCCCC3)CC2)cc1	ZINC000125468767	823678731	/nfs/dbraw/zinc/67/87/31/823678731.db2.gz	WSUWALOGZSDFHX-HXUWFJFHSA-N	1	1	397.563	4.444	20	30		GIEDMO
N#Cc1ccccc1NC(=O)CC[N@@H+]1CCC[C@@H]1c1ccc(Br)cc1	ZINC000063549413	823678816	/nfs/dbraw/zinc/67/88/16/823678816.db2.gz	OKDXGGOKMODBBX-LJQANCHMSA-N	1	1	398.304	4.486	20	30		GIEDMO
Cc1ccc(CCCCC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1	ZINC000063637275	823685697	/nfs/dbraw/zinc/68/56/97/823685697.db2.gz	CUTZHAUJERHQMC-UHFFFAOYSA-N	1	1	389.543	4.314	20	30		GIEDMO
C=CCc1cccc(C(C)C)c1NC(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1	ZINC000191487033	823690206	/nfs/dbraw/zinc/69/02/06/823690206.db2.gz	DPFJHQPICUZCHZ-UHFFFAOYSA-N	1	1	386.584	4.028	20	30		GIEDMO
C=CCc1cccc(C(C)C)c1NC(=O)N(C)CCN(C)C1CC[NH+](C)CC1	ZINC000191487033	823690207	/nfs/dbraw/zinc/69/02/07/823690207.db2.gz	DPFJHQPICUZCHZ-UHFFFAOYSA-N	1	1	386.584	4.028	20	30		GIEDMO
C[C@@H](C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1)c1cccc(C#N)c1	ZINC000461790373	823695715	/nfs/dbraw/zinc/69/57/15/823695715.db2.gz	HYUANMKYUSYPTL-QGZVFWFLSA-N	1	1	381.907	4.050	20	30		GIEDMO
C[C@@H](C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1)c1cccc(C#N)c1	ZINC000461790373	823695718	/nfs/dbraw/zinc/69/57/18/823695718.db2.gz	HYUANMKYUSYPTL-QGZVFWFLSA-N	1	1	381.907	4.050	20	30		GIEDMO
CCOC(=O)c1csc(C2CC[NH+](CC#Cc3ccc(Cl)cc3)CC2)n1	ZINC000191576973	823703115	/nfs/dbraw/zinc/70/31/15/823703115.db2.gz	WCFYNFKWVJNTQQ-UHFFFAOYSA-N	1	1	388.920	4.204	20	30		GIEDMO
COc1cccc(Cl)c1C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1	ZINC000191634363	823720457	/nfs/dbraw/zinc/72/04/57/823720457.db2.gz	ZNEQMPRIRYIJPA-UHFFFAOYSA-N	1	1	380.879	4.416	20	30		GIEDMO
C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)N[C@H]2CCCc3cc(C#N)ccc32)C1	ZINC000574549137	823761644	/nfs/dbraw/zinc/76/16/44/823761644.db2.gz	LTPCCUKIHZUVNW-RFWXGWTQSA-N	1	1	394.563	4.232	20	30		GIEDMO
C[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1cccc(C#N)c1	ZINC000462122510	823835927	/nfs/dbraw/zinc/83/59/27/823835927.db2.gz	KQXVGOWOLNQVSC-SFYKDHMMSA-N	1	1	375.516	4.173	20	30		GIEDMO
Fc1cccnc1C[NH2+]Cc1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1	ZINC000126356797	823847888	/nfs/dbraw/zinc/84/78/88/823847888.db2.gz	HTKOHRJMGRRKGQ-AWEZNQCLSA-N	1	1	382.279	4.383	20	30		GIEDMO
Cc1cc(N2CCC(Nc3ccc(C(F)(F)F)c(C#N)c3)CC2)nc(C)[nH+]1	ZINC000167026902	823885381	/nfs/dbraw/zinc/88/53/81/823885381.db2.gz	AGRXCGKQXLIIGM-UHFFFAOYSA-N	1	1	375.398	4.065	20	30		GIEDMO
C[N@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])c(C#N)c2)[C@@H]1c1ccc(Cl)c(F)c1	ZINC000167370023	823891134	/nfs/dbraw/zinc/89/11/34/823891134.db2.gz	WOYXXBRCGKFKNS-YJYMSZOUSA-N	1	1	388.830	4.364	20	30		GIEDMO
C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(F)(F)c1cnc(Cl)c(-c2ccc(C#N)cc2)c1	ZINC001164638437	719257348	/nfs/dbraw/zinc/25/73/48/719257348.db2.gz	YZKAUBDCCRLLTF-UONOGXRCSA-N	1	1	390.865	4.347	20	30		GIEDMO
C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(F)(F)c1cnc(Cl)c(-c2ccc(C#N)cc2)c1	ZINC001164638437	719257353	/nfs/dbraw/zinc/25/73/53/719257353.db2.gz	YZKAUBDCCRLLTF-UONOGXRCSA-N	1	1	390.865	4.347	20	30		GIEDMO
CC(C)c1ccc(C#N)c(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)n1	ZINC001164994280	722193660	/nfs/dbraw/zinc/19/36/60/722193660.db2.gz	MOIXQXQPVMRMIX-QHCPKHFHSA-N	1	1	378.495	4.461	20	30		GIEDMO
CN(C(=O)N[C@H](CCCC#N)c1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000458799968	823087659	/nfs/dbraw/zinc/08/76/59/823087659.db2.gz	KSVHJLRAYZUSIK-XZOQPEGZSA-N	1	1	390.531	4.337	20	30		GIEDMO
Cc1ccccc1C[NH+]1CCN(C(=O)N[C@@H](CCCC#N)c2ccccc2)CC1	ZINC000458804408	823088648	/nfs/dbraw/zinc/08/86/48/823088648.db2.gz	SMEBGBRIAYTZSF-QHCPKHFHSA-N	1	1	390.531	4.257	20	30		GIEDMO
C[C@H]1C[C@H](N(C)C(=O)c2cccc(SCC#N)c2)CC[N@H+]1Cc1ccccc1	ZINC000175992488	823090649	/nfs/dbraw/zinc/09/06/49/823090649.db2.gz	DPCOIMFYOZNZPJ-GHTZIAJQSA-N	1	1	393.556	4.427	20	30		GIEDMO
Cc1c[nH+]ccc1OC1CCN(C(=O)N[C@@H](CCCC#N)c2ccccc2)CC1	ZINC000458854164	823098024	/nfs/dbraw/zinc/09/80/24/823098024.db2.gz	XBENPGXQGITPLH-NRFANRHFSA-N	1	1	392.503	4.378	20	30		GIEDMO
N#Cc1ccc(C[N@@H+]2CCC[C@@H](c3nc(-c4ccc(Cl)cc4)no3)C2)nc1	ZINC000570859888	823097257	/nfs/dbraw/zinc/09/72/57/823097257.db2.gz	LAUJHSYCSGIMEE-MRXNPFEDSA-N	1	1	379.851	4.036	20	30		GIEDMO
CCCN(C(=O)N[C@H]1CC[C@@H](CC#N)C1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1	ZINC000459021441	823117727	/nfs/dbraw/zinc/11/77/27/823117727.db2.gz	XFEJPXIBJUGLMG-BVSLBCMMSA-N	1	1	382.552	4.155	20	30		GIEDMO
C=CCC1(CNC(=O)N2CCC[C@H]([N@@H+](C)Cc3ccccn3)CC2)CCCC1	ZINC000459105044	823128741	/nfs/dbraw/zinc/12/87/41/823128741.db2.gz	OSQHXHPYFDIZOD-NRFANRHFSA-N	1	1	384.568	4.214	20	30		GIEDMO
N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H](c2nc3ccc(F)cc3o2)C1	ZINC000459364803	823173206	/nfs/dbraw/zinc/17/32/06/823173206.db2.gz	ANMOSGGTBTVGME-CQSZACIVSA-N	1	1	380.379	4.126	20	30		GIEDMO
N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H](c2nc3ccc(F)cc3o2)C1	ZINC000459364803	823173208	/nfs/dbraw/zinc/17/32/08/823173208.db2.gz	ANMOSGGTBTVGME-CQSZACIVSA-N	1	1	380.379	4.126	20	30		GIEDMO
C=CCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(C[N@H+](C)C(C)C)CC1	ZINC000571420314	823180384	/nfs/dbraw/zinc/18/03/84/823180384.db2.gz	MRKPNZFJSSUISV-UHFFFAOYSA-N	1	1	387.959	4.341	20	30		GIEDMO
CCN(C(=O)Nc1snc(C)c1C#N)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1	ZINC000459598631	823227521	/nfs/dbraw/zinc/22/75/21/823227521.db2.gz	YYARRHBMFGKTDH-WBVHZDCISA-N	1	1	383.521	4.013	20	30		GIEDMO
C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(c2nc3c(s2)CCCC3)CC1	ZINC000571791570	823234674	/nfs/dbraw/zinc/23/46/74/823234674.db2.gz	CWGWPWGLIKCEJB-OAHLLOKOSA-N	1	1	394.544	4.100	20	30		GIEDMO
N#Cc1cccc(OCCC[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)c1	ZINC000459662125	823244139	/nfs/dbraw/zinc/24/41/39/823244139.db2.gz	NIVNDLVUAPAZFW-GOSISDBHSA-N	1	1	382.426	4.008	20	30		GIEDMO
C[N@H+]1CC[C@@H]2CCN(C(=O)Nc3ccc(Sc4ccccc4C#N)cc3)[C@H]2C1	ZINC000571994905	823267101	/nfs/dbraw/zinc/26/71/01/823267101.db2.gz	RANPANQAIJPGAZ-UZLBHIALSA-N	1	1	392.528	4.267	20	30		GIEDMO
CC[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)Cc1cccc(F)c1	ZINC000011435019	818081032	/nfs/dbraw/zinc/08/10/32/818081032.db2.gz	ZSQLEGXQFADEMV-UHFFFAOYSA-N	1	1	385.508	4.488	20	30		GIEDMO
C=CCc1cc(C[NH2+]Cc2nc3cc(Cl)ccc3n2C)cc(OC)c1OC	ZINC000122119937	823309176	/nfs/dbraw/zinc/30/91/76/823309176.db2.gz	OFNMAEZOQAAIGS-UHFFFAOYSA-N	1	1	385.895	4.262	20	30		GIEDMO
Cc1ccccc1OCC[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCC2	ZINC000015099625	818290345	/nfs/dbraw/zinc/29/03/45/818290345.db2.gz	DDCJHKMAHAOZPX-UHFFFAOYSA-N	1	1	397.544	4.146	20	30		GIEDMO
CCc1cccc(CC)c1NC(=O)CO[NH+]=C(N)C12CC3CC(CC(C3)C1)C2	ZINC000015397323	818321194	/nfs/dbraw/zinc/32/11/94/818321194.db2.gz	HKIPXGMOVIXCTI-UHFFFAOYSA-N	1	1	383.536	4.255	20	30		GIEDMO
CNC(=O)CC[C@@H]1CCCC[N@H+]1Cc1cccc(OCc2ccccc2C#N)c1	ZINC000572387961	823331459	/nfs/dbraw/zinc/33/14/59/823331459.db2.gz	CRMVVRFEPGHOFZ-QFIPXVFZSA-N	1	1	391.515	4.018	20	30		GIEDMO
C=C(C)C[N@@H+](CC)CC(=O)Nc1ccc(C(=O)Nc2ccc(OCC)cc2)cc1	ZINC000016485235	818448299	/nfs/dbraw/zinc/44/82/99/818448299.db2.gz	YBUNPASLPGXTRJ-UHFFFAOYSA-N	1	1	395.503	4.174	20	30		GIEDMO
C=C(C)C[N@H+](CC)CC(=O)Nc1ccc(C(=O)Nc2ccc(OCC)cc2)cc1	ZINC000016485235	818448305	/nfs/dbraw/zinc/44/83/05/818448305.db2.gz	YBUNPASLPGXTRJ-UHFFFAOYSA-N	1	1	395.503	4.174	20	30		GIEDMO
C=CCn1c(SCC[C@H]2CCCC[N@@H+]2C)nc2cc(Cl)ccc2c1=O	ZINC000058084989	823361011	/nfs/dbraw/zinc/36/10/11/823361011.db2.gz	ZLPCPWSAHLKOAW-OAHLLOKOSA-N	1	1	377.941	4.202	20	30		GIEDMO
C=C(C)Cn1c(C(C)C)nnc1N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2	ZINC000460377304	823369283	/nfs/dbraw/zinc/36/92/83/823369283.db2.gz	XRUKVOMYGYFLCL-XMMPIXPASA-N	1	1	393.579	4.470	20	30		GIEDMO
Cc1ccc2nc(C)c(C(=O)N3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)cc2c1	ZINC000023753762	818980047	/nfs/dbraw/zinc/98/00/47/818980047.db2.gz	KUTZCVKUYFUXOM-UHFFFAOYSA-N	1	1	398.510	4.071	20	30		GIEDMO
Cc1ccc2nc(C)c(C(=O)N3CCC[N@@H+](Cc4ccc(C#N)cc4)CC3)cc2c1	ZINC000023753762	818980054	/nfs/dbraw/zinc/98/00/54/818980054.db2.gz	KUTZCVKUYFUXOM-UHFFFAOYSA-N	1	1	398.510	4.071	20	30		GIEDMO
N#Cc1ccsc1N1CC[C@@H]([NH2+][C@@H](c2ccccc2)c2ccc(F)cc2)C1=O	ZINC000177142288	823381436	/nfs/dbraw/zinc/38/14/36/823381436.db2.gz	MYRJGRYATGSNGR-UXHICEINSA-N	1	1	391.471	4.243	20	30		GIEDMO
N#Cc1c(NC(=O)CC[N@H+](CCC(F)(F)F)CC2CC2)sc2c1CCC2	ZINC000177167806	823389096	/nfs/dbraw/zinc/38/90/96/823389096.db2.gz	JBDPYRGYXCNPCD-UHFFFAOYSA-N	1	1	385.455	4.101	20	30		GIEDMO
N#CCCN(C(=O)C[N@H+]1CC[C@@H](c2cccc(F)c2)C1)c1cccc(Cl)c1	ZINC000572907509	823417865	/nfs/dbraw/zinc/41/78/65/823417865.db2.gz	VIOWFNWRNDHFCL-QGZVFWFLSA-N	1	1	385.870	4.215	20	30		GIEDMO
C=CCC[C@H](C(=O)NCC1CC[NH+](Cc2nc(C)c(C)o2)CC1)c1ccccc1	ZINC000189444013	823417813	/nfs/dbraw/zinc/41/78/13/823417813.db2.gz	YLPFYIMRKIAVIZ-QFIPXVFZSA-N	1	1	395.547	4.370	20	30		GIEDMO
N#CCCN(C(=O)C[N@@H+]1CC[C@@H](c2cccc(F)c2)C1)c1cccc(Cl)c1	ZINC000572907509	823417867	/nfs/dbraw/zinc/41/78/67/823417867.db2.gz	VIOWFNWRNDHFCL-QGZVFWFLSA-N	1	1	385.870	4.215	20	30		GIEDMO
CCOC(=O)Cc1csc(NC(=O)C[N@H+](C)Cc2ccc3ccccc3c2)n1	ZINC000026904899	820161186	/nfs/dbraw/zinc/16/11/86/820161186.db2.gz	CJYMLLCUXZMSSJ-UHFFFAOYSA-N	1	1	397.500	4.122	20	30		GIEDMO
CCOC(=O)Cc1csc(NC(=O)C[N@@H+](C)Cc2ccc3ccccc3c2)n1	ZINC000026904899	820161190	/nfs/dbraw/zinc/16/11/90/820161190.db2.gz	CJYMLLCUXZMSSJ-UHFFFAOYSA-N	1	1	397.500	4.122	20	30		GIEDMO
C[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1nc2ccccc2s1	ZINC000028888753	820367406	/nfs/dbraw/zinc/36/74/06/820367406.db2.gz	HVQJWDHHDYMREQ-UHFFFAOYSA-N	1	1	384.892	4.282	20	30		GIEDMO
C[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1nc2ccccc2s1	ZINC000028888753	820367415	/nfs/dbraw/zinc/36/74/15/820367415.db2.gz	HVQJWDHHDYMREQ-UHFFFAOYSA-N	1	1	384.892	4.282	20	30		GIEDMO
C[C@@H](NC(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C)c1ccc(C#N)cc1	ZINC000410361282	823474344	/nfs/dbraw/zinc/47/43/44/823474344.db2.gz	VDXXTASWEAFAIW-RBUKOAKNSA-N	1	1	390.531	4.493	20	30		GIEDMO
C=C(C)Cn1c(-c2c[nH]c3ccccc32)nnc1N(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C	ZINC000460806189	823517539	/nfs/dbraw/zinc/51/75/39/823517539.db2.gz	WBGBGLCPIHJQJF-LAUBAEHRSA-N	1	1	392.551	4.169	20	30		GIEDMO
C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)Nc1ccc(C(C)(C)C#N)cc1	ZINC000177744296	823519417	/nfs/dbraw/zinc/51/94/17/823519417.db2.gz	LCDJQMMACVKZHU-SFHVURJKSA-N	1	1	376.504	4.226	20	30		GIEDMO
C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)Nc1ccc(C(C)(C)C#N)cc1	ZINC000177744296	823519418	/nfs/dbraw/zinc/51/94/18/823519418.db2.gz	LCDJQMMACVKZHU-SFHVURJKSA-N	1	1	376.504	4.226	20	30		GIEDMO
CC[N@@H+](CC(=O)NCc1ccc(COC(C)C)cc1)[C@H](C)c1ccc(C#N)cc1	ZINC000060469442	823531749	/nfs/dbraw/zinc/53/17/49/823531749.db2.gz	KUGIBCMKWFFHSJ-LJQANCHMSA-N	1	1	393.531	4.183	20	30		GIEDMO
C=CCOc1ccc(C[N@@H+](Cc2cc(=O)n3ccccc3n2)C(C)(C)C)cc1	ZINC000177848047	823535779	/nfs/dbraw/zinc/53/57/79/823535779.db2.gz	ZKDAVAKZTYGPEF-UHFFFAOYSA-N	1	1	377.488	4.060	20	30		GIEDMO
CCOc1ccccc1NC(=O)[C@@H]([NH2+]Cc1cccc(C#N)c1)c1ccccc1	ZINC000042183245	821279909	/nfs/dbraw/zinc/27/99/09/821279909.db2.gz	DFPNYRSLUQGHQQ-QHCPKHFHSA-N	1	1	385.467	4.427	20	30		GIEDMO
CC(C)n1cnnc1[C@@H]1CCC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1	ZINC000180635376	821376880	/nfs/dbraw/zinc/37/68/80/821376880.db2.gz	DMCKUDNGVSXAJC-QGZVFWFLSA-N	1	1	376.426	4.109	20	30		GIEDMO
CC(C)c1ccccc1NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000043230981	821377714	/nfs/dbraw/zinc/37/77/14/821377714.db2.gz	YSQZGRLNZYVDJH-UHFFFAOYSA-N	1	1	376.504	4.421	20	30		GIEDMO
N#Cc1ccc(C[NH+]2CCC(NCc3cccnc3OC3CCCC3)CC2)cc1	ZINC000181488896	821849068	/nfs/dbraw/zinc/84/90/68/821849068.db2.gz	KABRHGUQDLLCGC-UHFFFAOYSA-N	1	1	390.531	4.029	20	30		GIEDMO
N#CC1(c2ccc(C(=O)N3CC[C@H]4[C@@H](CCC[N@H+]4Cc4ccccc4)C3)cc2)CC1	ZINC000181566420	821882983	/nfs/dbraw/zinc/88/29/83/821882983.db2.gz	JLGXTHMNZBVUOM-UPVQGACJSA-N	1	1	399.538	4.368	20	30		GIEDMO
C=CCn1c(-c2cnccn2)nn(C[N@H+](CCC)CC2CCCCC2)c1=S	ZINC000177987244	822270238	/nfs/dbraw/zinc/27/02/38/822270238.db2.gz	HNHDMRPKSMJRRA-UHFFFAOYSA-N	1	1	386.569	4.307	20	30		GIEDMO
C=CCn1c(-c2cnccn2)nn(C[N@@H+](CCC)CC2CCCCC2)c1=S	ZINC000177987244	822270247	/nfs/dbraw/zinc/27/02/47/822270247.db2.gz	HNHDMRPKSMJRRA-UHFFFAOYSA-N	1	1	386.569	4.307	20	30		GIEDMO
CC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C1	ZINC000178033897	822291693	/nfs/dbraw/zinc/29/16/93/822291693.db2.gz	LHZUWPSMSQJMDB-GOSISDBHSA-N	1	1	378.476	4.156	20	30		GIEDMO
Cc1c(C#N)cccc1NC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1	ZINC000178533664	822388966	/nfs/dbraw/zinc/38/89/66/822388966.db2.gz	YSPCNZHDNYXTTC-JTHBVZDNSA-N	1	1	388.515	4.385	20	30		GIEDMO
CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1cccc(C#N)c1C	ZINC000178550412	822390934	/nfs/dbraw/zinc/39/09/34/822390934.db2.gz	JZOMQADVQNJSCV-FQEVSTJZSA-N	1	1	376.504	4.243	20	30		GIEDMO
N#Cc1ccccc1N1CCC[N@@H+](Cc2coc(-c3c(F)cccc3F)n2)CC1	ZINC000178591694	822394705	/nfs/dbraw/zinc/39/47/05/822394705.db2.gz	RFCNWWIIXMIDPV-UHFFFAOYSA-N	1	1	394.425	4.204	20	30		GIEDMO
N#Cc1ccccc1N1CCC[N@H+](Cc2coc(-c3c(F)cccc3F)n2)CC1	ZINC000178591694	822394707	/nfs/dbraw/zinc/39/47/07/822394707.db2.gz	RFCNWWIIXMIDPV-UHFFFAOYSA-N	1	1	394.425	4.204	20	30		GIEDMO
C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N(C)Cc2cccc(C#N)c2)cc1	ZINC000045780087	822412816	/nfs/dbraw/zinc/41/28/16/822412816.db2.gz	VNUSWEFFOORNBN-IBGZPJMESA-N	1	1	390.531	4.274	20	30		GIEDMO
CC[N@@H+](Cc1c[nH]nc1-c1ccc2c(c1)OCCO2)[C@@H](C)c1ccc(C#N)cc1	ZINC000179464596	822486487	/nfs/dbraw/zinc/48/64/87/822486487.db2.gz	IDRAJVHSARLWFX-INIZCTEOSA-N	1	1	388.471	4.303	20	30		GIEDMO
CC[N@@H+](Cc1ccccc1OCC(=O)NCC1CC1)[C@@H](C)c1ccc(C#N)cc1	ZINC000179463852	822486521	/nfs/dbraw/zinc/48/65/21/822486521.db2.gz	RTGRYQPHQHMPBY-SFHVURJKSA-N	1	1	391.515	4.046	20	30		GIEDMO
CC[N@H+](CC(=O)Nc1c(F)cccc1F)Cc1cccc(OCCCC#N)c1	ZINC000179574767	822505990	/nfs/dbraw/zinc/50/59/90/822505990.db2.gz	GBTYIVCHFWISKA-UHFFFAOYSA-N	1	1	387.430	4.108	20	30		GIEDMO
CC[N@@H+](CC(=O)Nc1c(F)cccc1F)Cc1cccc(OCCCC#N)c1	ZINC000179574767	822505992	/nfs/dbraw/zinc/50/59/92/822505992.db2.gz	GBTYIVCHFWISKA-UHFFFAOYSA-N	1	1	387.430	4.108	20	30		GIEDMO
C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH2+]C1(c2ccccc2F)CC1	ZINC000179646115	822518834	/nfs/dbraw/zinc/51/88/34/822518834.db2.gz	XQCLVUATEINWQZ-OAHLLOKOSA-N	1	1	383.492	4.437	20	30		GIEDMO
C[C@@H](NC(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1)c1ccc(C#N)cc1	ZINC000047051608	822540542	/nfs/dbraw/zinc/54/05/42/822540542.db2.gz	XYBDBZRUZXCJFG-QGZVFWFLSA-N	1	1	396.922	4.190	20	30		GIEDMO
C[C@@H](NC(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1)c1ccc(C#N)cc1	ZINC000047051608	822540545	/nfs/dbraw/zinc/54/05/45/822540545.db2.gz	XYBDBZRUZXCJFG-QGZVFWFLSA-N	1	1	396.922	4.190	20	30		GIEDMO
Cn1cc(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c(-c2ccc(C#N)cc2)n1	ZINC000179933553	822579882	/nfs/dbraw/zinc/57/98/82/822579882.db2.gz	AGJHQVCQMWHNJP-UHFFFAOYSA-N	1	1	387.443	4.032	20	30		GIEDMO
C[C@H](C#N)Oc1ccccc1NC(=O)N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1	ZINC000180016358	822597063	/nfs/dbraw/zinc/59/70/63/822597063.db2.gz	SJGLTESNKGWYRN-UYAOXDASSA-N	1	1	392.503	4.106	20	30		GIEDMO
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C)CC[N@@H+](C)C1CC1	ZINC000184219983	822598227	/nfs/dbraw/zinc/59/82/27/822598227.db2.gz	APSDOBOAWFCYCI-UHFFFAOYSA-N	1	1	378.476	4.217	20	30		GIEDMO
CC[NH+](CC)[C@@H](CNCc1cn(C)nc1-c1ccc(C#N)cc1)c1ccccc1	ZINC000180027144	822599879	/nfs/dbraw/zinc/59/98/79/822599879.db2.gz	ZAZXTDOHGSPBFD-QHCPKHFHSA-N	1	1	387.531	4.131	20	30		GIEDMO
C[C@@H](C#N)Oc1ccccc1NC(=O)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1	ZINC000180073624	822609959	/nfs/dbraw/zinc/60/99/59/822609959.db2.gz	NSUCFSJVMZNVNU-SFHVURJKSA-N	1	1	392.503	4.106	20	30		GIEDMO
C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1	ZINC000184299516	822610808	/nfs/dbraw/zinc/61/08/08/822610808.db2.gz	MUOREFIJSMDNDB-MOPGFXCFSA-N	1	1	398.551	4.486	20	30		GIEDMO
C=CCc1cccc(C(C)C)c1NC(=O)NC(C)(C)C[NH+]1CCN(CC)CC1	ZINC000455251778	822618106	/nfs/dbraw/zinc/61/81/06/822618106.db2.gz	TWRDANPTLGGHDR-UHFFFAOYSA-N	1	1	386.584	4.076	20	30		GIEDMO
C[C@@H](C#N)Oc1ccccc1NC(=O)NC(C)(C)C[N@@H+](C)Cc1ccccc1	ZINC000184345994	822619606	/nfs/dbraw/zinc/61/96/06/822619606.db2.gz	XJNFYGOFUGLAJI-KRWDZBQOSA-N	1	1	380.492	4.010	20	30		GIEDMO
Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)Nc2ccccc2O[C@H](C)C#N)cc1	ZINC000184347907	822619761	/nfs/dbraw/zinc/61/97/61/822619761.db2.gz	SLUDZTFIHZNDGM-HZPDHXFCSA-N	1	1	389.459	4.354	20	30		GIEDMO
CC[C@H]([NH2+]CC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1nc(C)cs1	ZINC000184384286	822625994	/nfs/dbraw/zinc/62/59/94/822625994.db2.gz	YURUKTWUNKTTKQ-ZFWWWQNUSA-N	1	1	388.562	4.383	20	30		GIEDMO
CCc1nc(C)c([C@H](C)[N@@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)s1	ZINC000180193098	822636548	/nfs/dbraw/zinc/63/65/48/822636548.db2.gz	DOCXBFZQYLIRPL-HNNXBMFYSA-N	1	1	379.533	4.479	20	30		GIEDMO
C[C@H](NC(C)(C)C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)c1ccccc1	ZINC000180212241	822640370	/nfs/dbraw/zinc/64/03/70/822640370.db2.gz	XOFZIIUWLDPYGU-SFHVURJKSA-N	1	1	387.531	4.178	20	30		GIEDMO
N#CC1(c2ccc(C(=O)N3CCC[N@@H+](CCCc4ccccc4)CC3)cc2)CC1	ZINC000180219433	822641633	/nfs/dbraw/zinc/64/16/33/822641633.db2.gz	XLMWIDKXNFWVAU-UHFFFAOYSA-N	1	1	387.527	4.022	20	30		GIEDMO
C[C@H](c1ccccc1)[NH+]1CCC(NCc2cn(C)nc2-c2ccc(C#N)cc2)CC1	ZINC000180222593	822642461	/nfs/dbraw/zinc/64/24/61/822642461.db2.gz	XNGSZLJOKVIJGZ-LJQANCHMSA-N	1	1	399.542	4.274	20	30		GIEDMO
C[C@@H]1C[C@@H](NCc2cn(C)nc2-c2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1	ZINC000180282212	822654724	/nfs/dbraw/zinc/65/47/24/822654724.db2.gz	JCOWUPYXUZPEIU-DVECYGJZSA-N	1	1	399.542	4.101	20	30		GIEDMO
C[C@@H]1C[C@@H](NCc2cn(C)nc2-c2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1	ZINC000180282212	822654725	/nfs/dbraw/zinc/65/47/25/822654725.db2.gz	JCOWUPYXUZPEIU-DVECYGJZSA-N	1	1	399.542	4.101	20	30		GIEDMO
C[C@H]([NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2)c1cccc([N+](=O)[O-])c1	ZINC000180397109	822675374	/nfs/dbraw/zinc/67/53/74/822675374.db2.gz	KXBSWIKCQRRFES-ZDUSSCGKSA-N	1	1	398.488	4.086	20	30		GIEDMO
C[C@H](CCNC(=O)Nc1ccc(CC#N)cc1Cl)[N@@H+](C)Cc1ccccc1	ZINC000455702818	822706868	/nfs/dbraw/zinc/70/68/68/822706868.db2.gz	LNHJXMAKQPMRSX-MRXNPFEDSA-N	1	1	384.911	4.438	20	30		GIEDMO
N#CCc1ccc(NC(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(Cl)c1	ZINC000455725064	822714386	/nfs/dbraw/zinc/71/43/86/822714386.db2.gz	CRFIEOOJZKLWOE-GOSISDBHSA-N	1	1	382.895	4.050	20	30		GIEDMO
C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)Nc1ccc(CC#N)cc1Cl)C1CC1	ZINC000455733702	822716554	/nfs/dbraw/zinc/71/65/54/822716554.db2.gz	OJEAPONQGXWBRH-NRFANRHFSA-N	1	1	396.922	4.438	20	30		GIEDMO
CSc1cccc(C)c1NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000184948532	822717185	/nfs/dbraw/zinc/71/71/85/822717185.db2.gz	ITTCEZRNDBBJSA-UHFFFAOYSA-N	1	1	394.544	4.328	20	30		GIEDMO
Cc1sc([C@H](C)[NH2+][C@H](C)C(=O)N(C)CCC#N)nc1-c1ccc(Cl)cc1	ZINC000184951649	822717683	/nfs/dbraw/zinc/71/76/83/822717683.db2.gz	LENQZDBMILUZRF-QWHCGFSZSA-N	1	1	390.940	4.183	20	30		GIEDMO
N#CCc1ccc(NC(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)c(Cl)c1	ZINC000455743803	822718283	/nfs/dbraw/zinc/71/82/83/822718283.db2.gz	CZVPLYLVLLJDKU-UHFFFAOYSA-N	1	1	382.895	4.146	20	30		GIEDMO
Cc1ccccc1C[NH+]1CCN(C(=O)Nc2ccc(CC#N)cc2Cl)CC1	ZINC000455754971	822720308	/nfs/dbraw/zinc/72/03/08/822720308.db2.gz	RDXSLJYRCXNEGD-UHFFFAOYSA-N	1	1	382.895	4.064	20	30		GIEDMO
CC[C@@H]([NH2+]CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1)c1nccs1	ZINC000185117101	822739112	/nfs/dbraw/zinc/73/91/12/822739112.db2.gz	WYCZHICBLQPSMW-MRXNPFEDSA-N	1	1	376.913	4.093	20	30		GIEDMO
C[C@H]1C[C@@H](CCNC(=O)Nc2cccc(CC#N)c2)C[N@H+]1Cc1ccccc1	ZINC000455911843	822747687	/nfs/dbraw/zinc/74/76/87/822747687.db2.gz	WTGGTTUYANWVQH-GHTZIAJQSA-N	1	1	376.504	4.175	20	30		GIEDMO
C[N@H+](CC(=O)N(CCC#N)c1ccccc1)C[C@H]1CCCO[C@@H]1c1ccccc1	ZINC000051133472	822747784	/nfs/dbraw/zinc/74/77/84/822747784.db2.gz	ZTLBUDSODQTAST-ZJSXRUAMSA-N	1	1	391.515	4.033	20	30		GIEDMO
C[C@H]1CC[N@@H+](C)CCN1C(=O)Nc1ccc(Sc2ccccc2C#N)cc1	ZINC000455935518	822752766	/nfs/dbraw/zinc/75/27/66/822752766.db2.gz	AZXKHLUGXFDBGB-INIZCTEOSA-N	1	1	380.517	4.267	20	30		GIEDMO
COc1ccc(C[NH2+]Cc2coc(-c3ccccc3)n2)cc1OCCCC#N	ZINC000174474911	822794850	/nfs/dbraw/zinc/79/48/50/822794850.db2.gz	KOCYOLRAKSEBBX-UHFFFAOYSA-N	1	1	377.444	4.323	20	30		GIEDMO
COc1ccc([C@H]2CCCCCN2C(=O)C[N@H+](C)Cc2cccc(C#N)c2)cc1	ZINC000052580269	822804208	/nfs/dbraw/zinc/80/42/08/822804208.db2.gz	ZTYTULSOFZYVBY-HSZRJFAPSA-N	1	1	391.515	4.143	20	30		GIEDMO
COc1ccc([C@H]2CCCCCN2C(=O)C[N@@H+](C)Cc2cccc(C#N)c2)cc1	ZINC000052580269	822804211	/nfs/dbraw/zinc/80/42/11/822804211.db2.gz	ZTYTULSOFZYVBY-HSZRJFAPSA-N	1	1	391.515	4.143	20	30		GIEDMO
C[C@@H](NCC#Cc1ccc(OC(F)(F)F)cc1)[C@H]1CCC[N@H+](C2CCC2)C1	ZINC000185754746	822817993	/nfs/dbraw/zinc/81/79/93/822817993.db2.gz	KXHKVGUNKJXMMA-AEFFLSMTSA-N	1	1	380.454	4.179	20	30		GIEDMO
C[C@H](NCC#Cc1ccc(OC(F)(F)F)cc1)[C@H]1CCC[N@H+](C2CCC2)C1	ZINC000185754724	822818016	/nfs/dbraw/zinc/81/80/16/822818016.db2.gz	KXHKVGUNKJXMMA-WMZOPIPTSA-N	1	1	380.454	4.179	20	30		GIEDMO
CC(C)Sc1ccccc1C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000053721107	822846091	/nfs/dbraw/zinc/84/60/91/822846091.db2.gz	DYSBDANSDZIYEL-UHFFFAOYSA-N	1	1	393.556	4.407	20	30		GIEDMO
CC(C)Sc1ccccc1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000053721107	822846094	/nfs/dbraw/zinc/84/60/94/822846094.db2.gz	DYSBDANSDZIYEL-UHFFFAOYSA-N	1	1	393.556	4.407	20	30		GIEDMO
COc1ccc([C@@H]2CCC[N@H+]2CCC(=O)Nc2sc3c(c2C#N)CCC3)cc1	ZINC000054426322	822883889	/nfs/dbraw/zinc/88/38/89/822883889.db2.gz	PTMJVRFXNRYVBM-IBGZPJMESA-N	1	1	395.528	4.283	20	30		GIEDMO
C=C(C)[C@@H]([NH2+][C@H](C)c1ccc(S(C)(=O)=O)c(F)c1)c1ccc(F)c(F)c1	ZINC000186446774	822897072	/nfs/dbraw/zinc/89/70/72/822897072.db2.gz	BWUHNXJLQKWNRD-CWTRNNRKSA-N	1	1	383.435	4.475	20	30		GIEDMO
C=C(C)[C@H]([NH2+][C@H](C)c1ccccc1OCC(=O)OC)c1ccc(F)c(F)c1	ZINC000186449802	822897506	/nfs/dbraw/zinc/89/75/06/822897506.db2.gz	ZVJIPZCIEDTRRM-SZNDQCEHSA-N	1	1	375.415	4.485	20	30		GIEDMO
COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+](C)Cc1cc2ccccc2o1	ZINC000175194329	822901569	/nfs/dbraw/zinc/90/15/69/822901569.db2.gz	WKCVSEMBVXSLDV-KRWDZBQOSA-N	1	1	391.471	4.209	20	30		GIEDMO
COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+](C)Cc1cc2ccccc2o1	ZINC000175194329	822901572	/nfs/dbraw/zinc/90/15/72/822901572.db2.gz	WKCVSEMBVXSLDV-KRWDZBQOSA-N	1	1	391.471	4.209	20	30		GIEDMO
CCC[C@@H](C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)c1ccccc1	ZINC000055294193	822950256	/nfs/dbraw/zinc/95/02/56/822950256.db2.gz	BPSLORLYTJBWNM-HSZRJFAPSA-N	1	1	375.516	4.176	20	30		GIEDMO
CC1CCN(C(=O)C2CC[NH+](Cc3ccc(C#N)cc3C(F)(F)F)CC2)CC1	ZINC000569751456	822963545	/nfs/dbraw/zinc/96/35/45/822963545.db2.gz	NPKUIAPWPMMJLN-UHFFFAOYSA-N	1	1	393.453	4.048	20	30		GIEDMO
N#CCSc1cccc(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccccc2)c1	ZINC000175697451	823022747	/nfs/dbraw/zinc/02/27/47/823022747.db2.gz	QPVMPBCVCKYEPS-FQEVSTJZSA-N	1	1	379.529	4.087	20	30		GIEDMO
C=CC[NH+]1CCC(N[C@H](C)c2ccc(OC(F)F)cc2OC(F)F)CC1	ZINC000177912199	823545423	/nfs/dbraw/zinc/54/54/23/823545423.db2.gz	LLDAZQUGCKKVIC-GFCCVEGCSA-N	1	1	376.394	4.190	20	30		GIEDMO
C=C(C)Cn1c(COCC)nnc1N(CC)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1	ZINC000460944288	823547703	/nfs/dbraw/zinc/54/77/03/823547703.db2.gz	QJJOURQJNOXRSB-TZIWHRDSSA-N	1	1	397.567	4.053	20	30		GIEDMO
N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)c1	ZINC000411230717	823559045	/nfs/dbraw/zinc/55/90/45/823559045.db2.gz	RRWKYCFKLQVDBD-FCHUYYIVSA-N	1	1	393.918	4.050	20	30		GIEDMO
N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)c1	ZINC000411230717	823559050	/nfs/dbraw/zinc/55/90/50/823559050.db2.gz	RRWKYCFKLQVDBD-FCHUYYIVSA-N	1	1	393.918	4.050	20	30		GIEDMO
CC[N@@H+](Cc1c[nH]c2ccccc12)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2	ZINC000190455671	823576901	/nfs/dbraw/zinc/57/69/01/823576901.db2.gz	LEAKGJVYLWQGGB-AWEZNQCLSA-N	1	1	392.528	4.439	20	30		GIEDMO
C[C@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(Cl)cc1Cl	ZINC000190619472	823592370	/nfs/dbraw/zinc/59/23/70/823592370.db2.gz	IMKAOKSBGUBFTP-DJJJIMSYSA-N	1	1	388.298	4.317	20	30		GIEDMO
CSc1ccccc1OC[C@H](O)C[N@@H+](Cc1ccc(C#N)c(F)c1)C(C)C	ZINC000411985041	823618157	/nfs/dbraw/zinc/61/81/57/823618157.db2.gz	NNHFYOXBFQSTDW-GOSISDBHSA-N	1	1	388.508	4.070	20	30		GIEDMO
N#Cc1ccccc1Oc1ccc(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)cc1Cl	ZINC000124988258	823642939	/nfs/dbraw/zinc/64/29/39/823642939.db2.gz	ANTJYZLCVKRNOX-HNNXBMFYSA-N	1	1	395.890	4.218	20	30		GIEDMO
Cn1cc(C[NH2+]Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1C#N	ZINC000191248637	823663121	/nfs/dbraw/zinc/66/31/21/823663121.db2.gz	BQOMOBUCDZPTIM-UHFFFAOYSA-N	1	1	376.407	4.329	20	30		GIEDMO
C=CCCCN(C)C(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1	ZINC000125263043	823663320	/nfs/dbraw/zinc/66/33/20/823663320.db2.gz	CTIXKNZIUHXIRK-UHFFFAOYSA-N	1	1	383.458	4.277	20	30		GIEDMO
C[N@H+]1CCC[C@@H]2CN(C(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)CC[C@@H]21	ZINC000125380385	823671788	/nfs/dbraw/zinc/67/17/88/823671788.db2.gz	GWWDKBYSMLSBQA-GCJKJVERSA-N	1	1	390.487	4.299	20	30		GIEDMO
Cc1cc[nH+]c(N2CCN(C(=O)Nc3ccccc3S[C@@H](C)CC#N)CC2)c1	ZINC000125432848	823675793	/nfs/dbraw/zinc/67/57/93/823675793.db2.gz	CYEUEGOHIFNOLY-KRWDZBQOSA-N	1	1	395.532	4.138	20	30		GIEDMO
COc1ccc(CC[N@@H+](Cc2ccsc2)Cc2cc(C#N)n(C)c2)cc1OC	ZINC000191417215	823683028	/nfs/dbraw/zinc/68/30/28/823683028.db2.gz	CJLHWYBTDKZIAC-UHFFFAOYSA-N	1	1	395.528	4.220	20	30		GIEDMO
COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1c(O)ccc2ccc(OC)cc21	ZINC000063730241	823692540	/nfs/dbraw/zinc/69/25/40/823692540.db2.gz	GNJLVMXZKDVBQS-UHFFFAOYSA-N	1	1	376.456	4.074	20	30		GIEDMO
COCC[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(OCc2ccccn2)cc1	ZINC000063753407	823693453	/nfs/dbraw/zinc/69/34/53/823693453.db2.gz	NEBRIUWSFKZASG-UHFFFAOYSA-N	1	1	387.483	4.181	20	30		GIEDMO
C[C@H]1C[C@H](CCNC(=O)N2CCC(CCC#N)CC2)C[N@H+]1Cc1ccccc1	ZINC000574395847	823719175	/nfs/dbraw/zinc/71/91/75/823719175.db2.gz	ONJCOGFHLRJEHK-UGKGYDQZSA-N	1	1	382.552	4.012	20	30		GIEDMO
C=CCn1c(-c2sccc2C)nnc1N1CCC[N@@H+](Cc2ccccc2)CC1	ZINC000574438475	823729475	/nfs/dbraw/zinc/72/94/75/823729475.db2.gz	BKJAOSGAOFIRCJ-UHFFFAOYSA-N	1	1	393.560	4.213	20	30		GIEDMO
C=C(C)C[N@H+](CC)CC(=O)N(C)[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1	ZINC000125931623	823747579	/nfs/dbraw/zinc/74/75/79/823747579.db2.gz	CHCVWVSQKNALFW-IBGZPJMESA-N	1	1	393.531	4.356	20	30		GIEDMO
C[C@H](C(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1)c1cccc(C#N)c1	ZINC000461910133	823750435	/nfs/dbraw/zinc/75/04/35/823750435.db2.gz	TVOPBQTVGXASRV-OALUTQOASA-N	1	1	375.516	4.210	20	30		GIEDMO
N#Cc1ccc(Cl)c(C(=O)NC[C@@H]([NH2+]Cc2ccccc2)c2ccco2)c1	ZINC000574554091	823764351	/nfs/dbraw/zinc/76/43/51/823764351.db2.gz	XQUOGJZNDAQVHO-LJQANCHMSA-N	1	1	379.847	4.066	20	30		GIEDMO
COc1ccc(C[N@H+]2CC[C@@]3(C2)CCc2ccccc2O3)cc1OCCCC#N	ZINC000574562706	823767591	/nfs/dbraw/zinc/76/75/91/823767591.db2.gz	CNPSAAACARBCRA-XMMPIXPASA-N	1	1	392.499	4.347	20	30		GIEDMO
CCc1nocc1C[N@H+](C)Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1	ZINC000574773138	823822321	/nfs/dbraw/zinc/82/23/21/823822321.db2.gz	JDOOJNTUTYYOEA-UHFFFAOYSA-N	1	1	391.471	4.328	20	30		GIEDMO
CCc1nocc1C[N@@H+](C)Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1	ZINC000574773138	823822330	/nfs/dbraw/zinc/82/23/30/823822330.db2.gz	JDOOJNTUTYYOEA-UHFFFAOYSA-N	1	1	391.471	4.328	20	30		GIEDMO
CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccc(C#N)c(Cl)c1	ZINC000575004259	823884435	/nfs/dbraw/zinc/88/44/35/823884435.db2.gz	OWDGBHRRAMEKAD-HXUWFJFHSA-N	1	1	381.907	4.242	20	30		GIEDMO
C[N@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])c(C#N)c2)[C@@H]1c1ccc(Cl)c(F)c1	ZINC000167370145	823890969	/nfs/dbraw/zinc/89/09/69/823890969.db2.gz	WOYXXBRCGKFKNS-DJJJIMSYSA-N	1	1	388.830	4.364	20	30		GIEDMO
C[N@H+]1CCC[C@H]2CN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)CC[C@@H]21	ZINC000167843565	823896862	/nfs/dbraw/zinc/89/68/62/823896862.db2.gz	ANOAURRKPIQHQJ-AVRDEDQJSA-N	1	1	390.487	4.299	20	30		GIEDMO
CCN(C(=O)[C@H](C)c1cccc(C#N)c1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1	ZINC000462250033	823897638	/nfs/dbraw/zinc/89/76/38/823897638.db2.gz	YHKHGLMECXHKIC-PWHSHALESA-N	1	1	375.516	4.346	20	30		GIEDMO
CCN(C(=O)[C@H](C)c1cccc(C#N)c1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1	ZINC000462250035	823898126	/nfs/dbraw/zinc/89/81/26/823898126.db2.gz	YHKHGLMECXHKIC-SELNLUPBSA-N	1	1	375.516	4.346	20	30		GIEDMO
C=CCN(Cc1ccccc1F)C(=O)NCc1cc(C)[nH+]c(N2CCCC2)c1	ZINC000462268322	823906848	/nfs/dbraw/zinc/90/68/48/823906848.db2.gz	JWWLTLLDXFAQRX-UHFFFAOYSA-N	1	1	382.483	4.027	20	30		GIEDMO
C=CCc1cc(C[N@@H+](Cc2cccs2)[C@@H]2C=C[C@H](CO)C2)cc(OC)c1O	ZINC000575788802	823996597	/nfs/dbraw/zinc/99/65/97/823996597.db2.gz	RNJSRFJTADYTHF-QFBILLFUSA-N	1	1	385.529	4.130	20	30		GIEDMO
C=CCC[C@@H](O)C[N@@H+](CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)C(C)C	ZINC000127024006	824002275	/nfs/dbraw/zinc/00/22/75/824002275.db2.gz	SMSDEDLQAMLWMK-CQSZACIVSA-N	1	1	392.849	4.335	20	30		GIEDMO
C=CCOc1c(Br)cc(C[N@@H+]2CCC[C@H](CO)[C@H]2C)cc1OCC	ZINC000414563504	824013551	/nfs/dbraw/zinc/01/35/51/824013551.db2.gz	CTYCWPZARDVWQR-GDBMZVCRSA-N	1	1	398.341	4.005	20	30		GIEDMO
C=CCOc1c(Br)cc(C[N@H+]2CCC[C@H](CO)[C@H]2C)cc1OCC	ZINC000414563504	824013557	/nfs/dbraw/zinc/01/35/57/824013557.db2.gz	CTYCWPZARDVWQR-GDBMZVCRSA-N	1	1	398.341	4.005	20	30		GIEDMO
C[C@H](c1ccccc1)[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)C1CCCC1	ZINC000575907081	824025983	/nfs/dbraw/zinc/02/59/83/824025983.db2.gz	XBVQEKWCYLNTPS-GOSISDBHSA-N	1	1	382.529	4.338	20	30		GIEDMO
C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)[C@@H]1CCc2ccccc21	ZINC000170983842	824027663	/nfs/dbraw/zinc/02/76/63/824027663.db2.gz	ZFJIBEJIKAFZHJ-OXJNMPFZSA-N	1	1	379.529	4.496	20	30		GIEDMO
Cc1cc(C)cc([C@H]2CC[N@@H+](Cc3cn(CCC#N)nc3-c3ccncc3)C2)c1	ZINC000575931871	824031648	/nfs/dbraw/zinc/03/16/48/824031648.db2.gz	IMCBEKNOBLPFCQ-NRFANRHFSA-N	1	1	385.515	4.465	20	30		GIEDMO
C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc(Cl)c(F)cc1C#N)CC2	ZINC001164792113	721490004	/nfs/dbraw/zinc/49/00/04/721490004.db2.gz	GTOMABPMJMLXTR-UHFFFAOYSA-N	1	1	399.901	4.022	20	30		GIEDMO
Cc1cc(Cl)nc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1C#N	ZINC001165025869	721801709	/nfs/dbraw/zinc/80/17/09/721801709.db2.gz	PSTWJNJKZFEXMQ-PWIZWCRZSA-N	1	1	395.938	4.047	20	30		GIEDMO
C[C@H](NC(=O)N[C@@H](CCCC#N)c1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1	ZINC000458630567	823066950	/nfs/dbraw/zinc/06/69/50/823066950.db2.gz	KKKKOWDSGYCHFY-DWLFOUALSA-N	1	1	382.552	4.374	20	30		GIEDMO
N#CCCC1CC[NH+](Cc2cc3c(cc2Br)OCCCO3)CC1	ZINC000570679428	823071347	/nfs/dbraw/zinc/07/13/47/823071347.db2.gz	WBJSWEMXDFYOOD-UHFFFAOYSA-N	1	1	379.298	4.126	20	30		GIEDMO
CN(C(=O)c1cccc(SCC#N)c1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1	ZINC000176058038	823108830	/nfs/dbraw/zinc/10/88/30/823108830.db2.gz	QNNMVJVZVWUUAZ-HXUWFJFHSA-N	1	1	379.529	4.039	20	30		GIEDMO
C=CCC[C@@H](C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccccc1	ZINC000187739210	823122963	/nfs/dbraw/zinc/12/29/63/823122963.db2.gz	BAEUXSCCJUIZCV-DNQXCXABSA-N	1	1	392.543	4.010	20	30		GIEDMO
CCN(C(=O)NCc1ccc(C#N)c(F)c1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1	ZINC000459109287	823129024	/nfs/dbraw/zinc/12/90/24/823129024.db2.gz	DVNLMNPAALWIQF-UTKZUKDTSA-N	1	1	394.494	4.064	20	30		GIEDMO
C=C(C)[C@H]([NH2+]Cc1ccc(S(=O)(=O)C(F)F)cc1)c1ccc(F)c(F)c1	ZINC000187769029	823129398	/nfs/dbraw/zinc/12/93/98/823129398.db2.gz	ILBRGOVXUNIJKO-KRWDZBQOSA-N	1	1	387.398	4.368	20	30		GIEDMO
C=C(C)[C@@H]([NH2+]CC(=O)Nc1cc(C)nn1C(C)(C)C)c1ccc(F)c(F)c1	ZINC000187793382	823134198	/nfs/dbraw/zinc/13/41/98/823134198.db2.gz	UUUOPAOJDIVEOD-LJQANCHMSA-N	1	1	376.451	4.070	20	30		GIEDMO
N#C[C@@H](c1ccccc1)N1CC[NH+](Cc2ccc(OCc3ccncc3)cc2)CC1	ZINC000176157074	823139029	/nfs/dbraw/zinc/13/90/29/823139029.db2.gz	WWZQXPPOEAYDQF-VWLOTQADSA-N	1	1	398.510	4.043	20	30		GIEDMO
C[N@@H+](CCC(F)(F)F)[C@@H](CNc1ccnc(C#N)c1)c1ccc(Cl)cc1	ZINC000571309132	823163227	/nfs/dbraw/zinc/16/32/27/823163227.db2.gz	BJJLIBHFICSFTB-KRWDZBQOSA-N	1	1	382.817	4.066	20	30		GIEDMO
Cc1cc([N@H+]2CCCC[C@H]2C)ccc1NCCS(=O)(=O)c1ccc(C#N)cc1	ZINC000571397755	823177399	/nfs/dbraw/zinc/17/73/99/823177399.db2.gz	VNKOIZUFVPCOSO-GOSISDBHSA-N	1	1	397.544	4.131	20	30		GIEDMO
Cc1cc([N@@H+]2CCCC[C@H]2C)ccc1NCCS(=O)(=O)c1ccc(C#N)cc1	ZINC000571397755	823177400	/nfs/dbraw/zinc/17/74/00/823177400.db2.gz	VNKOIZUFVPCOSO-GOSISDBHSA-N	1	1	397.544	4.131	20	30		GIEDMO
Cc1cc([N@H+]2CCCC[C@@H]2C)ccc1NCCS(=O)(=O)c1ccc(C#N)cc1	ZINC000571397756	823177469	/nfs/dbraw/zinc/17/74/69/823177469.db2.gz	VNKOIZUFVPCOSO-SFHVURJKSA-N	1	1	397.544	4.131	20	30		GIEDMO
Cc1cc([N@@H+]2CCCC[C@@H]2C)ccc1NCCS(=O)(=O)c1ccc(C#N)cc1	ZINC000571397756	823177472	/nfs/dbraw/zinc/17/74/72/823177472.db2.gz	VNKOIZUFVPCOSO-SFHVURJKSA-N	1	1	397.544	4.131	20	30		GIEDMO
Cc1csc(NC(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)c1C#N	ZINC000571480021	823188954	/nfs/dbraw/zinc/18/89/54/823188954.db2.gz	YGDQQEMVSDGBRU-UHFFFAOYSA-N	1	1	392.528	4.288	20	30		GIEDMO
C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+](C)Cc1ccccc1N1CCCC1	ZINC000121516196	823198613	/nfs/dbraw/zinc/19/86/13/823198613.db2.gz	ADSLAOFZAWGNJF-FQEVSTJZSA-N	1	1	390.531	4.054	20	30		GIEDMO
C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+](C)Cc1ccccc1N1CCCC1	ZINC000121516196	823198616	/nfs/dbraw/zinc/19/86/16/823198616.db2.gz	ADSLAOFZAWGNJF-FQEVSTJZSA-N	1	1	390.531	4.054	20	30		GIEDMO
C=CCOc1ccc(C[N@H+]2CCC[C@@H]2Cn2cnc3ccccc32)cc1OC	ZINC000571665281	823216352	/nfs/dbraw/zinc/21/63/52/823216352.db2.gz	YCULKHDICOHWPK-LJQANCHMSA-N	1	1	377.488	4.274	20	30		GIEDMO
C[N@H+]1CC[C@@H]2CCN(C(=O)Nc3ccc(Sc4ccccc4C#N)cc3)[C@@H]2C1	ZINC000571994904	823267174	/nfs/dbraw/zinc/26/71/74/823267174.db2.gz	RANPANQAIJPGAZ-OXQOHEQNSA-N	1	1	392.528	4.267	20	30		GIEDMO
N#CC1(C(=O)NC2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)CCCCC1	ZINC000057433257	823296540	/nfs/dbraw/zinc/29/65/40/823296540.db2.gz	AOUHPFUYHMTCJQ-UHFFFAOYSA-N	1	1	393.453	4.260	20	30		GIEDMO
N#Cc1ccsc1N1CC[C@@H]([NH+]2CCC(c3c[nH]c4ccccc43)CC2)C1=O	ZINC000176996838	823345671	/nfs/dbraw/zinc/34/56/71/823345671.db2.gz	BKKDYLGEZVDDGI-HXUWFJFHSA-N	1	1	390.512	4.086	20	30		GIEDMO
CCn1c2ccccc2nc1[C@H]1CCC[N@H+]1CCC(=O)Nc1ccccc1C#N	ZINC000177045769	823358618	/nfs/dbraw/zinc/35/86/18/823358618.db2.gz	HARLXTZMRAARFS-OAQYLSRUSA-N	1	1	387.487	4.094	20	30		GIEDMO
N#Cc1ccc(C(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)cc1Cl	ZINC000122715212	823399306	/nfs/dbraw/zinc/39/93/06/823399306.db2.gz	VZRIXOKLKRYKRX-UHFFFAOYSA-N	1	1	388.298	4.213	20	30		GIEDMO
N#Cc1ccc(C(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)cc1Cl	ZINC000122715212	823399308	/nfs/dbraw/zinc/39/93/08/823399308.db2.gz	VZRIXOKLKRYKRX-UHFFFAOYSA-N	1	1	388.298	4.213	20	30		GIEDMO
C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)Nc2ccc(CC#N)cc2)C1	ZINC000058535465	823405532	/nfs/dbraw/zinc/40/55/32/823405532.db2.gz	LSBIVTGOXXIUQL-GOSISDBHSA-N	1	1	376.504	4.306	20	30		GIEDMO
C[C@@H](c1ccccc1Br)[N@@H+](C)CCC(=O)Nc1ccccc1C#N	ZINC000122891828	823429739	/nfs/dbraw/zinc/42/97/39/823429739.db2.gz	WRDYLPJZQOJQQO-AWEZNQCLSA-N	1	1	386.293	4.342	20	30		GIEDMO
N#CCCn1cc(C[N@@H+]2Cc3ccc(O)cc3C3(CC3)C2)c(-c2ccccc2)n1	ZINC000573148998	823455992	/nfs/dbraw/zinc/45/59/92/823455992.db2.gz	RIKWYAIJQUUZTN-UHFFFAOYSA-N	1	1	384.483	4.217	20	30		GIEDMO
CC[N@@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)C1CCCCC1	ZINC000027285710	820220579	/nfs/dbraw/zinc/22/05/79/820220579.db2.gz	VRWXEXFEJGZEQY-UHFFFAOYSA-N	1	1	382.508	4.211	20	30		GIEDMO
C[N@H+]1CCC[C@@H]2CN(C(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)CC[C@@H]21	ZINC000123166157	823472937	/nfs/dbraw/zinc/47/29/37/823472937.db2.gz	ULYQXGWLSNNQBH-GCJKJVERSA-N	1	1	390.487	4.299	20	30		GIEDMO
C[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1c(F)cccc1Cl	ZINC000028852942	820364431	/nfs/dbraw/zinc/36/44/31/820364431.db2.gz	YERXMZSKXJJTPA-UHFFFAOYSA-N	1	1	380.250	4.465	20	30		GIEDMO
C[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1c(F)cccc1Cl	ZINC000028852942	820364438	/nfs/dbraw/zinc/36/44/38/820364438.db2.gz	YERXMZSKXJJTPA-UHFFFAOYSA-N	1	1	380.250	4.465	20	30		GIEDMO
C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1C[C@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1	ZINC000573296004	823477326	/nfs/dbraw/zinc/47/73/26/823477326.db2.gz	BPHNARNHSYGNSG-GBSAAQIZSA-N	1	1	381.545	4.021	20	30		GIEDMO
C[N@@H+](CCOc1ccccc1Cl)CCC(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000028901760	820370463	/nfs/dbraw/zinc/37/04/63/820370463.db2.gz	HCVRQIIQMHVEPL-UHFFFAOYSA-N	1	1	392.286	4.204	20	30		GIEDMO
CN(C(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1C(F)(F)F)c1cc(Cl)ccc1C#N	ZINC000410554211	823503861	/nfs/dbraw/zinc/50/38/61/823503861.db2.gz	DELVETYHCDJVQR-ZIAGYGMSSA-N	1	1	387.833	4.083	20	30		GIEDMO
N#Cc1cccc(C[N@@H+](Cc2ccco2)Cc2ccc(C(=O)NC3CC3)cc2)c1	ZINC000036821957	821086111	/nfs/dbraw/zinc/08/61/11/821086111.db2.gz	BMUAHYCGLORNGN-UHFFFAOYSA-N	1	1	385.467	4.246	20	30		GIEDMO
N#Cc1cccc(C[N@H+](Cc2ccco2)Cc2ccc(C(=O)NC3CC3)cc2)c1	ZINC000036821957	821086120	/nfs/dbraw/zinc/08/61/20/821086120.db2.gz	BMUAHYCGLORNGN-UHFFFAOYSA-N	1	1	385.467	4.246	20	30		GIEDMO
CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc(Oc2ccccc2C#N)cc1	ZINC000177796674	823527321	/nfs/dbraw/zinc/52/73/21/823527321.db2.gz	JGXBPIDWHGNEDJ-UXHICEINSA-N	1	1	390.487	4.441	20	30		GIEDMO
Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)Cn2cc[nH+]c2C(C)C)c1C#N	ZINC000123669416	823530425	/nfs/dbraw/zinc/53/04/25/823530425.db2.gz	NUVGBNRVGFLJJJ-UHFFFAOYSA-N	1	1	379.439	4.064	20	30		GIEDMO
CC[N@@H+](CC(=O)N[C@@H](c1ccc(OC)cc1)C1CC1)[C@H](C)c1ccc(C#N)cc1	ZINC000060477287	823532571	/nfs/dbraw/zinc/53/25/71/823532571.db2.gz	OFFVEKUTGCNLGH-MZNJEOGPSA-N	1	1	391.515	4.217	20	30		GIEDMO
CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	ZINC000177838888	823534379	/nfs/dbraw/zinc/53/43/79/823534379.db2.gz	UJHKLDXCZTZXSV-UXHICEINSA-N	1	1	390.487	4.441	20	30		GIEDMO
COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1c1cccs1	ZINC000042356203	821303992	/nfs/dbraw/zinc/30/39/92/821303992.db2.gz	LGZQXWHSHXJLDW-SJLPKXTDSA-N	1	1	383.517	4.229	20	30		GIEDMO
COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+]1CCC[C@@H]1c1cccs1	ZINC000042356203	821303999	/nfs/dbraw/zinc/30/39/99/821303999.db2.gz	LGZQXWHSHXJLDW-SJLPKXTDSA-N	1	1	383.517	4.229	20	30		GIEDMO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)Nc3cccc(Cl)c3F)CC2)cc1	ZINC000043450327	821408971	/nfs/dbraw/zinc/40/89/71/821408971.db2.gz	IRENIIGCSMELKV-UHFFFAOYSA-N	1	1	386.858	4.091	20	30		GIEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Nc3cccc(Cl)c3F)CC2)cc1	ZINC000043450327	821408978	/nfs/dbraw/zinc/40/89/78/821408978.db2.gz	IRENIIGCSMELKV-UHFFFAOYSA-N	1	1	386.858	4.091	20	30		GIEDMO
N#Cc1ccccc1-c1ccc(C[N@H+](Cc2ccc(C(N)=O)cc2)C2CC2)cc1	ZINC000044596002	821617755	/nfs/dbraw/zinc/61/77/55/821617755.db2.gz	MMJOUNODERBYME-UHFFFAOYSA-N	1	1	381.479	4.489	20	30		GIEDMO
N#Cc1ccc(C[NH+]2CCC(N[C@@H](c3ccccc3)c3cccnc3)CC2)cc1	ZINC000181680645	821940387	/nfs/dbraw/zinc/94/03/87/821940387.db2.gz	PETZBVRXZXFZFT-VWLOTQADSA-N	1	1	382.511	4.297	20	30		GIEDMO
CC[C@@H]([NH2+]CC(=O)Nc1ccccc1SC[C@H](C)C#N)c1c(C)noc1C	ZINC000182447667	822246429	/nfs/dbraw/zinc/24/64/29/822246429.db2.gz	VESBBSRZFXUWIL-CZUORRHYSA-N	1	1	386.521	4.223	20	30		GIEDMO
CC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)C1	ZINC000178022223	822286978	/nfs/dbraw/zinc/28/69/78/822286978.db2.gz	KOEOKUYJRCFXHI-IBGZPJMESA-N	1	1	392.503	4.465	20	30		GIEDMO
Cc1ccc(C#N)cc1NC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1	ZINC000178242127	822357798	/nfs/dbraw/zinc/35/77/98/822357798.db2.gz	ICPWNHYJNXXUIJ-JTHBVZDNSA-N	1	1	388.515	4.385	20	30		GIEDMO
CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1	ZINC000182871277	822383376	/nfs/dbraw/zinc/38/33/76/822383376.db2.gz	YBGVWGZBFCHORQ-WIYYLYMNSA-N	1	1	382.552	4.131	20	30		GIEDMO
C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N(C)Cc3ccc(C#N)cc3)cc2)C1	ZINC000045788007	822413759	/nfs/dbraw/zinc/41/37/59/822413759.db2.gz	FOTWWTZLVYKRCQ-LJQANCHMSA-N	1	1	390.531	4.132	20	30		GIEDMO
N#Cc1ccccc1N1CCC[N@@H+](Cc2ncc(-c3ccc(F)cc3)o2)CC1	ZINC000046087086	822440726	/nfs/dbraw/zinc/44/07/26/822440726.db2.gz	DNBDNFLKZKQWSU-UHFFFAOYSA-N	1	1	376.435	4.065	20	30		GIEDMO
N#Cc1ccccc1N1CCC[N@H+](Cc2ncc(-c3ccc(F)cc3)o2)CC1	ZINC000046087086	822440727	/nfs/dbraw/zinc/44/07/27/822440727.db2.gz	DNBDNFLKZKQWSU-UHFFFAOYSA-N	1	1	376.435	4.065	20	30		GIEDMO
C[N@@H+](CCC(=O)N[C@H](c1cccs1)c1ccccc1)Cc1ccc(C#N)cc1	ZINC000046529215	822481877	/nfs/dbraw/zinc/48/18/77/822481877.db2.gz	MDFCMIDQUHVBQO-QHCPKHFHSA-N	1	1	389.524	4.347	20	30		GIEDMO
Cc1csc([C@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C2CC2)n1	ZINC000183544802	822492908	/nfs/dbraw/zinc/49/29/08/822492908.db2.gz	ILRARQARWZPAAQ-FXAWDEMLSA-N	1	1	396.560	4.444	20	30		GIEDMO
C[C@H]1CCC[N@@H+](CCNC(=O)c2ccccc2Sc2ccccc2C#N)C1	ZINC000046862281	822525216	/nfs/dbraw/zinc/52/52/16/822525216.db2.gz	PNAGDSMDUDWPGP-KRWDZBQOSA-N	1	1	379.529	4.171	20	30		GIEDMO
COc1cccc(F)c1[C@@H](C)[NH2+]CC(=O)N(CCC#N)c1cccc(C)c1C	ZINC000179917830	822576882	/nfs/dbraw/zinc/57/68/82/822576882.db2.gz	OUYMXKCZRFKEIG-QGZVFWFLSA-N	1	1	383.467	4.049	20	30		GIEDMO
C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1	ZINC000180018871	822597667	/nfs/dbraw/zinc/59/76/67/822597667.db2.gz	UZNVIKOQGDTATF-QYZOEREBSA-N	1	1	384.524	4.096	20	30		GIEDMO
C[C@@H]([NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1)c1nnc2ccccn21	ZINC000047699771	822600819	/nfs/dbraw/zinc/60/08/19/822600819.db2.gz	WOXYSKGPJWPMLC-QGZVFWFLSA-N	1	1	383.455	4.031	20	30		GIEDMO
Cn1cc(C[N@@H+](C)C2CCN(Cc3ccccc3)CC2)c(-c2ccc(C#N)cc2)n1	ZINC000180079061	822610969	/nfs/dbraw/zinc/61/09/69/822610969.db2.gz	YNPFWYTYTVZODQ-UHFFFAOYSA-N	1	1	399.542	4.055	20	30		GIEDMO
CN(Cc1cn(C)nc1-c1ccc(C#N)cc1)C1CC[NH+](Cc2ccccc2)CC1	ZINC000180079061	822610971	/nfs/dbraw/zinc/61/09/71/822610971.db2.gz	YNPFWYTYTVZODQ-UHFFFAOYSA-N	1	1	399.542	4.055	20	30		GIEDMO
C[C@@H](C#N)Oc1ccccc1NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1	ZINC000184301715	822611016	/nfs/dbraw/zinc/61/10/16/822611016.db2.gz	IOJFZMTZGYJECW-CMKODMSKSA-N	1	1	392.503	4.152	20	30		GIEDMO
Cc1nc2c(s1)[C@@H]([N@H+](C)Cc1cn(C)nc1-c1ccc(C#N)cc1)CCC2	ZINC000180148887	822626922	/nfs/dbraw/zinc/62/69/22/822626922.db2.gz	NMLCHGSZNOIBIM-IBGZPJMESA-N	1	1	377.517	4.233	20	30		GIEDMO
C[C@@H]1C[C@H](NCc2cn(C)nc2-c2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1	ZINC000180282178	822654518	/nfs/dbraw/zinc/65/45/18/822654518.db2.gz	JCOWUPYXUZPEIU-NTKDMRAZSA-N	1	1	399.542	4.101	20	30		GIEDMO
C[C@@H]1C[C@H](NCc2cn(C)nc2-c2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1	ZINC000180282178	822654520	/nfs/dbraw/zinc/65/45/20/822654520.db2.gz	JCOWUPYXUZPEIU-NTKDMRAZSA-N	1	1	399.542	4.101	20	30		GIEDMO
C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C(C)(C)Cc2ccc(C#N)cc2)C1	ZINC000455673964	822697277	/nfs/dbraw/zinc/69/72/77/822697277.db2.gz	YQLVQDXCNCAFBM-SIKLNZKXSA-N	1	1	381.564	4.240	20	30		GIEDMO
COc1ccc(CN2CC[NH+]([C@H](C)c3ccsc3)CC2)cc1OCCCC#N	ZINC000184973850	822720411	/nfs/dbraw/zinc/72/04/11/822720411.db2.gz	WQIYZFOCBAQEGF-GOSISDBHSA-N	1	1	399.560	4.318	20	30		GIEDMO
CCc1[nH+]ccn1[C@H]1CCCN(C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)C1	ZINC000455794681	822727868	/nfs/dbraw/zinc/72/78/68/822727868.db2.gz	OGONDGHOJXVMLO-SFHVURJKSA-N	1	1	395.507	4.363	20	30		GIEDMO
C[C@@H]1CCN(C(=O)C(C)(C)Cc2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1	ZINC000455808312	822730186	/nfs/dbraw/zinc/73/01/86/822730186.db2.gz	AGZQARKOLIDGDO-HXUWFJFHSA-N	1	1	389.543	4.250	20	30		GIEDMO
N#Cc1ccc(C[NH2+]Cc2cc(Br)ccc2Br)cc1	ZINC000185157949	822744203	/nfs/dbraw/zinc/74/42/03/822744203.db2.gz	ULNHMKKVZUDQHN-UHFFFAOYSA-N	1	1	380.083	4.373	20	30		GIEDMO
Cc1cnc([C@H]([NH2+]CC(=O)N(CCC#N)c2cccc(Cl)c2)C2CC2)s1	ZINC000185329972	822766926	/nfs/dbraw/zinc/76/69/26/822766926.db2.gz	MYRSYCBTEQEWLH-GOSISDBHSA-N	1	1	388.924	4.093	20	30		GIEDMO
CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)Nc1ccccc1O[C@@H](C)C#N	ZINC000185477548	822788640	/nfs/dbraw/zinc/78/86/40/822788640.db2.gz	UNKIIWYIMBKRQL-GHTZIAJQSA-N	1	1	394.519	4.256	20	30		GIEDMO
CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccccc2Sc2ccccc2C#N)C1	ZINC000174538979	822802738	/nfs/dbraw/zinc/80/27/38/822802738.db2.gz	FVZGWIZDYFITNC-KRWDZBQOSA-N	1	1	379.529	4.123	20	30		GIEDMO
COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CCC[C@@H]1c1ccsc1	ZINC000052804141	822811063	/nfs/dbraw/zinc/81/10/63/822811063.db2.gz	UXJTYOVMKSJQDG-FUHWJXTLSA-N	1	1	383.517	4.229	20	30		GIEDMO
COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1CCC[C@@H]1c1ccsc1	ZINC000052804141	822811064	/nfs/dbraw/zinc/81/10/64/822811064.db2.gz	UXJTYOVMKSJQDG-FUHWJXTLSA-N	1	1	383.517	4.229	20	30		GIEDMO
CCC[N@@H+](CC(=O)Nc1ccc(N2CCCC2)cc1)Cc1ccc(C#N)cc1	ZINC000052825687	822812343	/nfs/dbraw/zinc/81/23/43/822812343.db2.gz	WZBZVPSGHMJHSX-UHFFFAOYSA-N	1	1	376.504	4.009	20	30		GIEDMO
C[C@H](NCC#Cc1ccc(OC(F)(F)F)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1	ZINC000185754687	822818075	/nfs/dbraw/zinc/81/80/75/822818075.db2.gz	KXHKVGUNKJXMMA-FUHWJXTLSA-N	1	1	380.454	4.179	20	30		GIEDMO
CC[N@H+](Cc1nc(-c2ccc(OC)cc2OC)no1)[C@@H](C)c1ccc(C#N)cc1	ZINC000054340251	822877073	/nfs/dbraw/zinc/87/70/73/822877073.db2.gz	XDVNTXCRHPLNIA-HNNXBMFYSA-N	1	1	392.459	4.209	20	30		GIEDMO
CC[N@@H+](Cc1nc(-c2ccc(OC)cc2OC)no1)[C@@H](C)c1ccc(C#N)cc1	ZINC000054340251	822877076	/nfs/dbraw/zinc/87/70/76/822877076.db2.gz	XDVNTXCRHPLNIA-HNNXBMFYSA-N	1	1	392.459	4.209	20	30		GIEDMO
C=C(C)[C@@H]([NH2+][C@H](C)c1ccccc1OCC(=O)OC)c1ccc(F)c(F)c1	ZINC000186449771	822897554	/nfs/dbraw/zinc/89/75/54/822897554.db2.gz	ZVJIPZCIEDTRRM-SPLOXXLWSA-N	1	1	375.415	4.485	20	30		GIEDMO
C[C@H](C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1ccc(Cl)s1	ZINC000175185068	822900309	/nfs/dbraw/zinc/90/03/09/822900309.db2.gz	TUIMLTIPGNVDAU-HNNXBMFYSA-N	1	1	387.936	4.111	20	30		GIEDMO
C[C@H](C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)c1ccc(Cl)s1	ZINC000175185068	822900311	/nfs/dbraw/zinc/90/03/11/822900311.db2.gz	TUIMLTIPGNVDAU-HNNXBMFYSA-N	1	1	387.936	4.111	20	30		GIEDMO
C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1cc2ccccc2o1	ZINC000175191365	822901011	/nfs/dbraw/zinc/90/10/11/822901011.db2.gz	MGEXWLFPUFTTSG-UHFFFAOYSA-N	1	1	379.485	4.315	20	30		GIEDMO
C[N@H+](CCOCc1ccc(C#N)cc1)[C@@H](C(=O)Nc1ccccc1)c1ccccc1	ZINC000569586162	822942321	/nfs/dbraw/zinc/94/23/21/822942321.db2.gz	SFYQCFCAPZUTCG-XMMPIXPASA-N	1	1	399.494	4.387	20	30		GIEDMO
C[N@@H+](CCOCc1ccc(C#N)cc1)[C@@H](C(=O)Nc1ccccc1)c1ccccc1	ZINC000569586162	822942322	/nfs/dbraw/zinc/94/23/22/822942322.db2.gz	SFYQCFCAPZUTCG-XMMPIXPASA-N	1	1	399.494	4.387	20	30		GIEDMO
N#Cc1ccc(OC2CC[NH+](Cc3cc4c(cc3Cl)OCCO4)CC2)cc1	ZINC000569646883	822949842	/nfs/dbraw/zinc/94/98/42/822949842.db2.gz	FAIWLXCUFXJRHR-UHFFFAOYSA-N	1	1	384.863	4.026	20	30		GIEDMO
C[N@@H+]([C@H]1CC[C@@H](C(F)(F)F)CC1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000570123983	823007828	/nfs/dbraw/zinc/00/78/28/823007828.db2.gz	PRTRHPWHIKZBAN-JZXOWHBKSA-N	1	1	379.426	4.107	20	30		GIEDMO
C=CCN(Cc1cccs1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1	ZINC000175640979	823011304	/nfs/dbraw/zinc/01/13/04/823011304.db2.gz	LHWMLSHIJMMSJT-UYAOXDASSA-N	1	1	383.561	4.499	20	30		GIEDMO
CO[C@H](C)c1nc(CN2CCC[N@@H+](CCC3(C#N)CCCCC3)CC2)cs1	ZINC000411331179	823564862	/nfs/dbraw/zinc/56/48/62/823564862.db2.gz	LKVCQBFTVBLLKM-GOSISDBHSA-N	1	1	390.597	4.222	20	30		GIEDMO
N#Cc1ccccc1-c1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC(=O)N3C3CC3)C2)cc1	ZINC000411396674	823570049	/nfs/dbraw/zinc/57/00/49/823570049.db2.gz	KCBMMPWQRRIKMV-URXFXBBRSA-N	1	1	385.511	4.201	20	30		GIEDMO
CC[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1c[nH]c2ccccc12	ZINC000190477084	823579420	/nfs/dbraw/zinc/57/94/20/823579420.db2.gz	VREIHGJOUYOCDN-UHFFFAOYSA-N	1	1	392.528	4.440	20	30		GIEDMO
C=CC[N@@H+](CCc1ccco1)[C@H](C)C(=O)Nc1c(C)nn(-c2ccccc2)c1C	ZINC000411488751	823580831	/nfs/dbraw/zinc/58/08/31/823580831.db2.gz	PPGWEONEVIYRIF-LJQANCHMSA-N	1	1	392.503	4.140	20	30		GIEDMO
C=CC[N@H+](CCc1ccco1)[C@H](C)C(=O)Nc1c(C)nn(-c2ccccc2)c1C	ZINC000411488751	823580834	/nfs/dbraw/zinc/58/08/34/823580834.db2.gz	PPGWEONEVIYRIF-LJQANCHMSA-N	1	1	392.503	4.140	20	30		GIEDMO
C[C@H](c1ccc(N2CCCS2(=O)=O)cc1)[N@@H+](C)CCC1(C#N)CCCCC1	ZINC000411562897	823588388	/nfs/dbraw/zinc/58/83/88/823588388.db2.gz	PXEKTWGVDORPAN-GOSISDBHSA-N	1	1	389.565	4.083	20	30		GIEDMO
C[C@@H](c1ccc(N2CCCS2(=O)=O)cc1)[N@@H+](C)CCC1(C#N)CCCCC1	ZINC000411562905	823588424	/nfs/dbraw/zinc/58/84/24/823588424.db2.gz	PXEKTWGVDORPAN-SFHVURJKSA-N	1	1	389.565	4.083	20	30		GIEDMO
C[C@@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(Cl)cc1Cl	ZINC000190619450	823592305	/nfs/dbraw/zinc/59/23/05/823592305.db2.gz	IMKAOKSBGUBFTP-BFUOFWGJSA-N	1	1	388.298	4.317	20	30		GIEDMO
C=CCn1c(SCCCCn2cc[nH+]c2C)nnc1-c1ccccc1OC	ZINC000124628896	823612488	/nfs/dbraw/zinc/61/24/88/823612488.db2.gz	HBDIUJASDYQAAD-UHFFFAOYSA-N	1	1	383.521	4.217	20	30		GIEDMO
Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CC(C)(C)C[C@H]2C)c1C#N	ZINC000412026941	823623501	/nfs/dbraw/zinc/62/35/01/823623501.db2.gz	UDACSAZFNKKXIL-OAHLLOKOSA-N	1	1	382.508	4.067	20	30		GIEDMO
CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1	ZINC000412155266	823631131	/nfs/dbraw/zinc/63/11/31/823631131.db2.gz	JLSSTMGKRDISRD-YFNKSVMNSA-N	1	1	387.527	4.032	20	30		GIEDMO
CC[N@@H+](CCC1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CC1)CC1CC1	ZINC000412231900	823638089	/nfs/dbraw/zinc/63/80/89/823638089.db2.gz	QTKUKTXTNPKUFQ-XZOQPEGZSA-N	1	1	379.548	4.022	20	30		GIEDMO
CCC[N@H+](CC(=O)Nc1cc(Cl)ccc1Cl)Cc1cc(C#N)n(C)c1	ZINC000191174366	823656279	/nfs/dbraw/zinc/65/62/79/823656279.db2.gz	KYOPAXUBRKTVBN-UHFFFAOYSA-N	1	1	379.291	4.054	20	30		GIEDMO
CCC[N@@H+](CC(=O)Nc1cc(Cl)ccc1Cl)Cc1cc(C#N)n(C)c1	ZINC000191174366	823656282	/nfs/dbraw/zinc/65/62/82/823656282.db2.gz	KYOPAXUBRKTVBN-UHFFFAOYSA-N	1	1	379.291	4.054	20	30		GIEDMO
CC[C@H](C)[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1cc(C#N)n(C)c1	ZINC000191179801	823656936	/nfs/dbraw/zinc/65/69/36/823656936.db2.gz	DJPPJBPEXGMFIQ-AWEZNQCLSA-N	1	1	392.425	4.155	20	30		GIEDMO
CC[C@H](C)[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1cc(C#N)n(C)c1	ZINC000191179801	823656940	/nfs/dbraw/zinc/65/69/40/823656940.db2.gz	DJPPJBPEXGMFIQ-AWEZNQCLSA-N	1	1	392.425	4.155	20	30		GIEDMO
C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1	ZINC000063403310	823668502	/nfs/dbraw/zinc/66/85/02/823668502.db2.gz	XPUDUVMKVWIWNA-CVDCTZTESA-N	1	1	388.515	4.091	20	30		GIEDMO
CCc1nc(C[NH+]2CCC(CNc3nc(C)c(C#N)cc3Cl)CC2)cs1	ZINC000461950594	823769203	/nfs/dbraw/zinc/76/92/03/823769203.db2.gz	UYJKMYQDSNERTG-UHFFFAOYSA-N	1	1	389.956	4.258	20	30		GIEDMO
CC(C)CC[N@H+]1Cc2cccc(NC(=O)[C@H](C#N)Cc3ccc(C#N)cc3)c2C1	ZINC000574810106	823833285	/nfs/dbraw/zinc/83/32/85/823833285.db2.gz	XSPAXPAOHLDAOX-NRFANRHFSA-N	1	1	386.499	4.241	20	30		GIEDMO
N#Cc1ccccc1NC(=O)CC[N@@H+]1CCC[C@@H]1c1cccc(Br)c1	ZINC000165470661	823849839	/nfs/dbraw/zinc/84/98/39/823849839.db2.gz	JKXVJPRQEZJYBZ-LJQANCHMSA-N	1	1	398.304	4.486	20	30		GIEDMO
N#CCCn1cc(C[N@H+]2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)c(-c2ccccc2)n1	ZINC000574897747	823855785	/nfs/dbraw/zinc/85/57/85/823855785.db2.gz	AKXRPWGHSGVZGU-YADHBBJMSA-N	1	1	390.531	4.245	20	30		GIEDMO
C[C@@H](c1ccccc1)[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)C1CCCC1	ZINC000575907082	824025857	/nfs/dbraw/zinc/02/58/57/824025857.db2.gz	XBVQEKWCYLNTPS-SFHVURJKSA-N	1	1	382.529	4.338	20	30		GIEDMO
C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)[C@@H]1CCc2ccccc21	ZINC000170983839	824027782	/nfs/dbraw/zinc/02/77/82/824027782.db2.gz	ZFJIBEJIKAFZHJ-OXQOHEQNSA-N	1	1	379.529	4.496	20	30		GIEDMO
C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1c[nH]nc1-c1ccc(Cl)cc1	ZINC000575955991	824036729	/nfs/dbraw/zinc/03/67/29/824036729.db2.gz	FQEOVNXKGXRYTC-UHFFFAOYSA-N	1	1	380.879	4.250	20	30		GIEDMO
N#Cc1ccc(-c2ccncc2)nc1N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21	ZINC001164629949	719095622	/nfs/dbraw/zinc/09/56/22/719095622.db2.gz	UMYGLFDUNJQARK-ISKFKSNPSA-N	1	1	395.510	4.116	20	30		GIEDMO
C[C@H]1C[N@H+](C)[C@@H](C)CN1C(F)(F)c1cnc(Cl)c(-c2ccc(C#N)cc2)c1	ZINC001164638435	719257473	/nfs/dbraw/zinc/25/74/73/719257473.db2.gz	YZKAUBDCCRLLTF-KBPBESRZSA-N	1	1	390.865	4.347	20	30		GIEDMO
C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(F)(F)c1cnc(Cl)c(-c2ccc(C#N)cc2)c1	ZINC001164638435	719257474	/nfs/dbraw/zinc/25/74/74/719257474.db2.gz	YZKAUBDCCRLLTF-KBPBESRZSA-N	1	1	390.865	4.347	20	30		GIEDMO
CC(C)c1ccc(C#N)c(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)n1	ZINC001164695271	719887523	/nfs/dbraw/zinc/88/75/23/719887523.db2.gz	KSUWVDYVMQMMDQ-UHFFFAOYSA-N	1	1	396.560	4.010	20	30		GIEDMO
N#Cc1cc(N2CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccnc2)nc2ccc(Cl)cc12	ZINC001164726927	720472837	/nfs/dbraw/zinc/47/28/37/720472837.db2.gz	MZSHKVDKWJONAI-NHCUHLMSSA-N	1	1	389.890	4.008	20	30		GIEDMO
C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)Nc1ccc(C(C)(C)C#N)cc1	ZINC000175917179	823072130	/nfs/dbraw/zinc/07/21/30/823072130.db2.gz	LCDJQMMACVKZHU-GOSISDBHSA-N	1	1	376.504	4.226	20	30		GIEDMO
C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)Nc1ccc(C(C)(C)C#N)cc1	ZINC000175917179	823072134	/nfs/dbraw/zinc/07/21/34/823072134.db2.gz	LCDJQMMACVKZHU-GOSISDBHSA-N	1	1	376.504	4.226	20	30		GIEDMO
COc1cc(C[N@H+](C)CC(C)(C)C#N)ccc1OCc1ccc([N+](=O)[O-])cc1	ZINC000570706003	823074181	/nfs/dbraw/zinc/07/41/81/823074181.db2.gz	PGHPEZLKXNXTLZ-UHFFFAOYSA-N	1	1	383.448	4.164	20	30		GIEDMO
COc1cc(C[N@@H+](C)CC(C)(C)C#N)ccc1OCc1ccc([N+](=O)[O-])cc1	ZINC000570706003	823074185	/nfs/dbraw/zinc/07/41/85/823074185.db2.gz	PGHPEZLKXNXTLZ-UHFFFAOYSA-N	1	1	383.448	4.164	20	30		GIEDMO
C=C(C)COc1cc(C[NH2+][C@@H](c2cnn(C)c2)c2ccc(F)cc2)ccc1OC	ZINC000187520613	823080284	/nfs/dbraw/zinc/08/02/84/823080284.db2.gz	DLEFCKNCWNLTIG-HSZRJFAPSA-N	1	1	395.478	4.402	20	30		GIEDMO
C[N@@H+]1CCN(C(=O)N[C@@H](CCCC#N)c2ccccc2)[C@H](c2ccccc2)C1	ZINC000458800603	823087771	/nfs/dbraw/zinc/08/77/71/823087771.db2.gz	LKQUZPQTBOZGOL-VXKWHMMOSA-N	1	1	376.504	4.120	20	30		GIEDMO
C[N@H+]1CCN(C(=O)N[C@@H](CCCC#N)c2ccccc2)[C@H](c2ccccc2)C1	ZINC000458800603	823087778	/nfs/dbraw/zinc/08/77/78/823087778.db2.gz	LKQUZPQTBOZGOL-VXKWHMMOSA-N	1	1	376.504	4.120	20	30		GIEDMO
C[C@@H]1C[C@@H](N(C)C(=O)c2cccc(SCC#N)c2)CC[N@H+]1Cc1ccccc1	ZINC000175992499	823090581	/nfs/dbraw/zinc/09/05/81/823090581.db2.gz	DPCOIMFYOZNZPJ-NQIIRXRSSA-N	1	1	393.556	4.427	20	30		GIEDMO
Cc1c[nH+]ccc1OC1CCN(C(=O)N[C@H](CCCC#N)c2ccccc2)CC1	ZINC000458854165	823097995	/nfs/dbraw/zinc/09/79/95/823097995.db2.gz	XBENPGXQGITPLH-OAQYLSRUSA-N	1	1	392.503	4.378	20	30		GIEDMO
N#CCSc1cccc(C(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)c1	ZINC000176034436	823101662	/nfs/dbraw/zinc/10/16/62/823101662.db2.gz	VKFDWNLHWILHQW-MRXNPFEDSA-N	1	1	385.558	4.006	20	30		GIEDMO
C=CCCC[N@H+](C)CC(=O)N(C)[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1	ZINC000121079274	823114634	/nfs/dbraw/zinc/11/46/34/823114634.db2.gz	OAEAJEASYVBVLA-IBGZPJMESA-N	1	1	393.531	4.356	20	30		GIEDMO
Cc1coc2ccc(NC(=O)N3CCC[N@@H+](Cc4ccc(C#N)cc4)CC3)cc12	ZINC000187915360	823157577	/nfs/dbraw/zinc/15/75/77/823157577.db2.gz	MRLUUOSNIIMXMW-UHFFFAOYSA-N	1	1	388.471	4.353	20	30		GIEDMO
Cc1ccc2[nH]c([C@H]3CCC[N@H+](Cc4c(C#N)cccc4[N+](=O)[O-])C3)nc2c1	ZINC000459394289	823181994	/nfs/dbraw/zinc/18/19/94/823181994.db2.gz	SDQUBRGAZKMWPQ-INIZCTEOSA-N	1	1	375.432	4.031	20	30		GIEDMO
Cc1ccc2[nH]c([C@H]3CCC[N@@H+](Cc4c(C#N)cccc4[N+](=O)[O-])C3)nc2c1	ZINC000459394289	823181998	/nfs/dbraw/zinc/18/19/98/823181998.db2.gz	SDQUBRGAZKMWPQ-INIZCTEOSA-N	1	1	375.432	4.031	20	30		GIEDMO
C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+](C)Cc1ccccc1N1CCCC1	ZINC000121516349	823198472	/nfs/dbraw/zinc/19/84/72/823198472.db2.gz	ADSLAOFZAWGNJF-HXUWFJFHSA-N	1	1	390.531	4.054	20	30		GIEDMO
C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+](C)Cc1ccccc1N1CCCC1	ZINC000121516349	823198476	/nfs/dbraw/zinc/19/84/76/823198476.db2.gz	ADSLAOFZAWGNJF-HXUWFJFHSA-N	1	1	390.531	4.054	20	30		GIEDMO
Cc1[nH+]ccn1C[C@H](C)CNC(=O)c1ccc(Oc2ccc(C#N)cc2C)cc1	ZINC000176415688	823203736	/nfs/dbraw/zinc/20/37/36/823203736.db2.gz	FAFFHJXWRPKCPB-MRXNPFEDSA-N	1	1	388.471	4.230	20	30		GIEDMO
C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1Cc1cn(CCC#N)nc1-c1ccncc1	ZINC000571601745	823206111	/nfs/dbraw/zinc/20/61/11/823206111.db2.gz	ZCRKELVGYLPVGZ-YLJYHZDGSA-N	1	1	389.478	4.376	20	30		GIEDMO
C[C@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1Cc1cn(CCC#N)nc1-c1ccncc1	ZINC000571601743	823206221	/nfs/dbraw/zinc/20/62/21/823206221.db2.gz	ZCRKELVGYLPVGZ-PXNSSMCTSA-N	1	1	389.478	4.376	20	30		GIEDMO
CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1	ZINC000571697360	823220989	/nfs/dbraw/zinc/22/09/89/823220989.db2.gz	XVJXBGOEYBHISC-WMLDXEAASA-N	1	1	381.442	4.094	20	30		GIEDMO
CCN(C(=O)Nc1snc(C)c1C#N)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1	ZINC000459598627	823227463	/nfs/dbraw/zinc/22/74/63/823227463.db2.gz	YYARRHBMFGKTDH-DOTOQJQBSA-N	1	1	383.521	4.013	20	30		GIEDMO
N#Cc1ccc(-c2nnc(C[N@@H+]3CCCCC[C@@H]3C[C@H](O)c3ccco3)o2)cc1	ZINC000121799126	823253671	/nfs/dbraw/zinc/25/36/71/823253671.db2.gz	KNHKLEMWQDRGPM-MOPGFXCFSA-N	1	1	392.459	4.070	20	30		GIEDMO
Cc1cc(C)c(N2CC[C@@H]([n+]3ccc(CN4CCCC[C@@H]4C)cc3)C2=O)c(C)c1	ZINC000188685889	823286121	/nfs/dbraw/zinc/28/61/21/823286121.db2.gz	SHAWFNOKVVGNMP-JTHBVZDNSA-N	1	1	392.567	4.252	20	30		GIEDMO
N#Cc1cc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)ccc1F	ZINC000122124221	823309784	/nfs/dbraw/zinc/30/97/84/823309784.db2.gz	MYJLDHRZBSHNFG-AVRDEDQJSA-N	1	1	392.478	4.216	20	30		GIEDMO
Cc1cc(Cl)ccc1NC(=O)CO[NH+]=C(N)C12CC3CC(CC(C3)C1)C2	ZINC000015397266	818321171	/nfs/dbraw/zinc/32/11/71/818321171.db2.gz	SSSOYVUTIIKVIM-UHFFFAOYSA-N	1	1	375.900	4.092	20	30		GIEDMO
Cc1c(Cl)cccc1NC(=S)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000017517657	818517825	/nfs/dbraw/zinc/51/78/25/818517825.db2.gz	CSYCHVBMYPMHJE-UHFFFAOYSA-N	1	1	398.963	4.425	20	30		GIEDMO
N#Cc1ccc(C[N@@H+]2CCCN(Cc3ncc(-c4ccc(F)cc4)o3)CC2)cc1	ZINC000021406903	818684327	/nfs/dbraw/zinc/68/43/27/818684327.db2.gz	DAZPANHNKOJMBJ-UHFFFAOYSA-N	1	1	390.462	4.060	20	30		GIEDMO
N#Cc1ccc(C[N@@H+]2CCCN(Cc3ccc(Br)cc3)CC2)cc1	ZINC000022850408	818867488	/nfs/dbraw/zinc/86/74/88/818867488.db2.gz	QBWHWTAWKFTQGH-UHFFFAOYSA-N	1	1	384.321	4.029	20	30		GIEDMO
Cc1c2cccc(F)c2oc1C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000023753156	818980215	/nfs/dbraw/zinc/98/02/15/818980215.db2.gz	MTQOQBVWMUCJLA-UHFFFAOYSA-N	1	1	391.446	4.100	20	30		GIEDMO
Cc1c2cccc(F)c2oc1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000023753156	818980221	/nfs/dbraw/zinc/98/02/21/818980221.db2.gz	MTQOQBVWMUCJLA-UHFFFAOYSA-N	1	1	391.446	4.100	20	30		GIEDMO
Cc1sc(NC(=O)C[N@H+](Cc2ccccc2)CC2CCOCC2)c(C#N)c1C	ZINC000177159176	823386692	/nfs/dbraw/zinc/38/66/92/823386692.db2.gz	QTGIWEUHBBNMSX-UHFFFAOYSA-N	1	1	397.544	4.104	20	30		GIEDMO
Cc1cccc(C2=CC[N@@H+](Cc3cn(CCC#N)nc3-c3ccncc3)CC2)c1	ZINC000572799183	823400910	/nfs/dbraw/zinc/40/09/10/823400910.db2.gz	OETRIELDHARDLF-UHFFFAOYSA-N	1	1	383.499	4.457	20	30		GIEDMO
C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)Nc1ccc(CC#N)cc1	ZINC000058535462	823405524	/nfs/dbraw/zinc/40/55/24/823405524.db2.gz	DEOOHNOFLCZENA-GOSISDBHSA-N	1	1	376.504	4.449	20	30		GIEDMO
COc1ccc(C#N)cc1C[N@H+](Cc1ccc(OC(F)F)c(OC)c1)C1CC1	ZINC000572825222	823405894	/nfs/dbraw/zinc/40/58/94/823405894.db2.gz	DLAGYYTWCGEHDP-UHFFFAOYSA-N	1	1	388.414	4.341	20	30		GIEDMO
COc1ccc(C#N)cc1C[N@@H+](Cc1ccc(OC(F)F)c(OC)c1)C1CC1	ZINC000572825222	823405896	/nfs/dbraw/zinc/40/58/96/823405896.db2.gz	DLAGYYTWCGEHDP-UHFFFAOYSA-N	1	1	388.414	4.341	20	30		GIEDMO
Cc1cc(Br)ccc1NC(=O)C[N@@H+](C)[C@@H](C)c1ccc(C#N)cc1	ZINC000122883123	823428402	/nfs/dbraw/zinc/42/84/02/823428402.db2.gz	CURMSJAVBHXTLU-AWEZNQCLSA-N	1	1	386.293	4.261	20	30		GIEDMO
Cc1cc(Br)ccc1NC(=O)C[N@H+](C)[C@@H](C)c1ccc(C#N)cc1	ZINC000122883123	823428404	/nfs/dbraw/zinc/42/84/04/823428404.db2.gz	CURMSJAVBHXTLU-AWEZNQCLSA-N	1	1	386.293	4.261	20	30		GIEDMO
C=C(C)Cn1c(Cc2ccccc2C)nnc1N(C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1	ZINC000460555820	823431065	/nfs/dbraw/zinc/43/10/65/823431065.db2.gz	ROEQUEGVWOJOFC-PZJWPPBQSA-N	1	1	381.568	4.062	20	30		GIEDMO
COc1ccc([C@@H]2CCCCC[N@H+]2C[C@@H](O)COc2ccc(CC#N)cc2)cc1	ZINC000025302235	819957996	/nfs/dbraw/zinc/95/79/96/819957996.db2.gz	OJNWZZVBTOHOHR-QPPBQGQZSA-N	1	1	394.515	4.118	20	30		GIEDMO
C[N@H+](CC(=O)NCCC(c1ccccc1)c1ccccc1)Cc1cccc(C#N)c1	ZINC000026324048	820083115	/nfs/dbraw/zinc/08/31/15/820083115.db2.gz	UZXANTZKDJMCSR-UHFFFAOYSA-N	1	1	397.522	4.328	20	30		GIEDMO
C[N@@H+](CC(=O)NCCC(c1ccccc1)c1ccccc1)Cc1cccc(C#N)c1	ZINC000026324048	820083126	/nfs/dbraw/zinc/08/31/26/820083126.db2.gz	UZXANTZKDJMCSR-UHFFFAOYSA-N	1	1	397.522	4.328	20	30		GIEDMO
C[N@H+](Cc1cccc(C#N)c1)C[C@H](O)COc1ccc(Oc2ccccc2)cc1	ZINC000027208135	820209736	/nfs/dbraw/zinc/20/97/36/820209736.db2.gz	TWAZZLRAPFGDTE-NRFANRHFSA-N	1	1	388.467	4.222	20	30		GIEDMO
Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+](C)[C@H](C)c2cccs2)c1C#N	ZINC000027554956	820258873	/nfs/dbraw/zinc/25/88/73/820258873.db2.gz	OWKGWHBMSWDSGA-MRXNPFEDSA-N	1	1	396.516	4.311	20	30		GIEDMO
Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+](C)[C@H](C)c2cccs2)c1C#N	ZINC000027554956	820258882	/nfs/dbraw/zinc/25/88/82/820258882.db2.gz	OWKGWHBMSWDSGA-MRXNPFEDSA-N	1	1	396.516	4.311	20	30		GIEDMO
CC(C)(C)CC(=O)N1CC[NH+](Cc2ccc(-c3ccccc3C#N)cc2)CC1	ZINC000027600906	820265596	/nfs/dbraw/zinc/26/55/96/820265596.db2.gz	SVZCNFABIKRARG-UHFFFAOYSA-N	1	1	375.516	4.306	20	30		GIEDMO
CSc1nc(C2CC2)cc(C(=O)N2CCC[C@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)c1C#N	ZINC000058883214	823466512	/nfs/dbraw/zinc/46/65/12/823466512.db2.gz	FWDSUUVISSXLPQ-UXLLHSPISA-N	1	1	398.576	4.030	20	30		GIEDMO
C[C@@H]1C[C@H](N(C)C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)CC[N@H+]1C	ZINC000123217036	823480215	/nfs/dbraw/zinc/48/02/15/823480215.db2.gz	ASTNYQQNVDWTBS-NVXWUHKLSA-N	1	1	381.451	4.044	20	30		GIEDMO
CCCc1cc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)sc1C	ZINC000029985082	820561501	/nfs/dbraw/zinc/56/15/01/820561501.db2.gz	GAGRQZMTXWFDAG-UHFFFAOYSA-N	1	1	381.545	4.229	20	30		GIEDMO
CCCc1cc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)sc1C	ZINC000029985082	820561507	/nfs/dbraw/zinc/56/15/07/820561507.db2.gz	GAGRQZMTXWFDAG-UHFFFAOYSA-N	1	1	381.545	4.229	20	30		GIEDMO
C[C@H]1CCCC[N@H+]1CCCNC(=O)c1cccc(OCc2ccccc2C#N)c1	ZINC000060021768	823505187	/nfs/dbraw/zinc/50/51/87/823505187.db2.gz	GUWLWLWDLZGLOW-IBGZPJMESA-N	1	1	391.515	4.132	20	30		GIEDMO
CCOc1c(OC)cc(/C=C/C(=O)c2ccc(-n3cc[nH+]c3C)cc2)cc1OC	ZINC000177616946	823502134	/nfs/dbraw/zinc/50/21/34/823502134.db2.gz	SECUNCRUUWWACK-IZZDOVSWSA-N	1	1	392.455	4.493	20	30		GIEDMO
C=C(C)Cn1c(Cc2ccc3ccccc3c2)nnc1N1CCC[N@H+](CC)CC1	ZINC000460776890	823509410	/nfs/dbraw/zinc/50/94/10/823509410.db2.gz	DVUKIMLHBHSQGB-UHFFFAOYSA-N	1	1	389.547	4.130	20	30		GIEDMO
C=C(C)Cn1c(Cc2ccccc2C)nnc1N1CCC[N@H+](C2CCCC2)CC1	ZINC000460789833	823513105	/nfs/dbraw/zinc/51/31/05/823513105.db2.gz	BPMKOSSLUDZPTK-UHFFFAOYSA-N	1	1	393.579	4.208	20	30		GIEDMO
C=CCN(Cc1cccs1)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1	ZINC000060244752	823513266	/nfs/dbraw/zinc/51/32/66/823513266.db2.gz	YFHYXILGPPFVFY-KRWDZBQOSA-N	1	1	389.590	4.419	20	30		GIEDMO
CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(Oc2ccc(C#N)cc2)c1	ZINC000177798434	823527445	/nfs/dbraw/zinc/52/74/45/823527445.db2.gz	ASKIPWFXLNHUMD-UXHICEINSA-N	1	1	375.472	4.049	20	30		GIEDMO
CC(C)c1nn(-c2ccc(Br)cc2)cc1C[NH+]1CCC(C#N)CC1	ZINC000123753822	823537620	/nfs/dbraw/zinc/53/76/20/823537620.db2.gz	OQCYQAIVFULZEJ-UHFFFAOYSA-N	1	1	387.325	4.494	20	30		GIEDMO
C=CCc1cc(C[N@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)cc(OC)c1O	ZINC000180796919	821463539	/nfs/dbraw/zinc/46/35/39/821463539.db2.gz	MRHAUEYXTKTWKS-MRXNPFEDSA-N	1	1	395.425	4.182	20	30		GIEDMO
N#Cc1ccc(C[N@@H+]2CCCN(Cc3nc4ccccc4n3C(F)F)CC2)cc1	ZINC000045003216	821688332	/nfs/dbraw/zinc/68/83/32/821688332.db2.gz	OHMANIXDKPJRFX-UHFFFAOYSA-N	1	1	395.457	4.011	20	30		GIEDMO
N#Cc1ccc(C[NH+]2CCC(NCc3ccccc3OC(F)(F)F)CC2)cc1	ZINC000181424360	821819435	/nfs/dbraw/zinc/81/94/35/821819435.db2.gz	UVWZFOLCIORIDQ-UHFFFAOYSA-N	1	1	389.421	4.211	20	30		GIEDMO
N#CC1(c2ccc(C(=O)N3CC[C@H]4[C@H](CCC[N@H+]4Cc4ccccc4)C3)cc2)CC1	ZINC000181566442	821883124	/nfs/dbraw/zinc/88/31/24/821883124.db2.gz	JLGXTHMNZBVUOM-VWNXMTODSA-N	1	1	399.538	4.368	20	30		GIEDMO
CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1	ZINC000182943345	822397495	/nfs/dbraw/zinc/39/74/95/822397495.db2.gz	NNQOXABPMYWITQ-NQIIRXRSSA-N	1	1	382.552	4.133	20	30		GIEDMO
C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N(C)Cc2ccc(C#N)cc2)cc1	ZINC000045780091	822412921	/nfs/dbraw/zinc/41/29/21/822412921.db2.gz	MUXFOBINHGEUGW-LJQANCHMSA-N	1	1	390.531	4.274	20	30		GIEDMO
C[C@@H]1C[N@@H+](Cc2ccc(C(=O)Nc3ccc(Cl)c(C#N)c3)cc2)C[C@H](C)O1	ZINC000046435222	822472783	/nfs/dbraw/zinc/47/27/83/822472783.db2.gz	XQYPNGZWYWWHES-GASCZTMLSA-N	1	1	383.879	4.073	20	30		GIEDMO
C[C@@H]1C[N@H+](Cc2ccc(C(=O)Nc3ccc(Cl)c(C#N)c3)cc2)C[C@H](C)O1	ZINC000046435222	822472786	/nfs/dbraw/zinc/47/27/86/822472786.db2.gz	XQYPNGZWYWWHES-GASCZTMLSA-N	1	1	383.879	4.073	20	30		GIEDMO
CN(C(=O)C[N@H+](C)Cc1cccc(C#N)c1)C(c1ccccc1)c1ccccc1	ZINC000046517988	822480548	/nfs/dbraw/zinc/48/05/48/822480548.db2.gz	LYSIOQKCVCINBV-UHFFFAOYSA-N	1	1	383.495	4.238	20	30		GIEDMO
CN(C(=O)C[N@@H+](C)Cc1cccc(C#N)c1)C(c1ccccc1)c1ccccc1	ZINC000046517988	822480550	/nfs/dbraw/zinc/48/05/50/822480550.db2.gz	LYSIOQKCVCINBV-UHFFFAOYSA-N	1	1	383.495	4.238	20	30		GIEDMO
C[N@H+](CC(=O)N[C@@H](c1cccs1)c1ccc(F)cc1)Cc1ccc(C#N)cc1	ZINC000046527881	822481435	/nfs/dbraw/zinc/48/14/35/822481435.db2.gz	BCMXMIGFBXVJLT-JOCHJYFZSA-N	1	1	393.487	4.096	20	30		GIEDMO
C[N@@H+](CC(=O)N[C@@H](c1cccs1)c1ccc(F)cc1)Cc1ccc(C#N)cc1	ZINC000046527881	822481438	/nfs/dbraw/zinc/48/14/38/822481438.db2.gz	BCMXMIGFBXVJLT-JOCHJYFZSA-N	1	1	393.487	4.096	20	30		GIEDMO
C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+](C)Cc3ccc(C#N)cc3)sc2C1	ZINC000046529221	822481947	/nfs/dbraw/zinc/48/19/47/822481947.db2.gz	NUTDYBPCMZBYCH-OAHLLOKOSA-N	1	1	392.528	4.077	20	30		GIEDMO
Cc1csc([C@@H]([NH2+]CC(=O)N(CCC#N)c2cccc(Cl)c2)C2CC2)n1	ZINC000183530983	822490698	/nfs/dbraw/zinc/49/06/98/822490698.db2.gz	JJVCWCFDNHYPAV-SFHVURJKSA-N	1	1	388.924	4.093	20	30		GIEDMO
C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+]C1(c2ccccc2F)CC1	ZINC000179651965	822520129	/nfs/dbraw/zinc/52/01/29/822520129.db2.gz	QWKSCZZSHYRUOZ-OAHLLOKOSA-N	1	1	383.492	4.295	20	30		GIEDMO
C=CCc1ccc(OC[C@@H](O)C[N@H+]2CCc3sccc3[C@H]2CC)c(OC)c1	ZINC000046866045	822525483	/nfs/dbraw/zinc/52/54/83/822525483.db2.gz	LJYDRQHDPRNBPF-PKOBYXMFSA-N	1	1	387.545	4.234	20	30		GIEDMO
COc1cc(C[NH2+]C[C@H](C)C#N)cc(Br)c1OCc1ccccc1	ZINC000183813478	822530795	/nfs/dbraw/zinc/53/07/95/822530795.db2.gz	JJWFHQOWSDFNAG-CQSZACIVSA-N	1	1	389.293	4.286	20	30		GIEDMO
Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+](C)C[C@@H](C)c2nccs2)c1	ZINC000183954229	822553367	/nfs/dbraw/zinc/55/33/67/822553367.db2.gz	ILHUVEKXYNJLPY-MSOLQXFVSA-N	1	1	384.549	4.131	20	30		GIEDMO
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C	ZINC000179794170	822554149	/nfs/dbraw/zinc/55/41/49/822554149.db2.gz	KDTJTEGGTAHYCX-PKOBYXMFSA-N	1	1	390.487	4.359	20	30		GIEDMO
Cc1[nH+]ccn1-c1ccc(CNC(=O)C(C)(C)Cc2ccc(C#N)cc2)cc1F	ZINC000455009102	822569815	/nfs/dbraw/zinc/56/98/15/822569815.db2.gz	LKSOLSJOYSNRSX-UHFFFAOYSA-N	1	1	390.462	4.077	20	30		GIEDMO
COc1cccc(F)c1[C@@H](C)[NH2+]CC(=O)N(CCC#N)c1ccc(C)c(C)c1	ZINC000179890612	822572318	/nfs/dbraw/zinc/57/23/18/822572318.db2.gz	IBSYYVVFRAVBBX-QGZVFWFLSA-N	1	1	383.467	4.049	20	30		GIEDMO
Cn1cc(C[N@H+]2CCC[C@H](c3nc4ccccc4o3)C2)c(-c2ccc(C#N)cc2)n1	ZINC000179917151	822576664	/nfs/dbraw/zinc/57/66/64/822576664.db2.gz	PQKZNNXVWSLTBG-IBGZPJMESA-N	1	1	397.482	4.480	20	30		GIEDMO
COc1ccc(F)cc1[C@@H](C)[NH2+]CC(=O)N(CCC#N)c1cccc(C)c1C	ZINC000179942187	822582093	/nfs/dbraw/zinc/58/20/93/822582093.db2.gz	OWCNSMOPQVRGSI-QGZVFWFLSA-N	1	1	383.467	4.049	20	30		GIEDMO
C[C@H](NC(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C)c1ccc(C#N)cc1	ZINC000048826748	822684891	/nfs/dbraw/zinc/68/48/91/822684891.db2.gz	VDXXTASWEAFAIW-MOPGFXCFSA-N	1	1	390.531	4.493	20	30		GIEDMO
COc1ccc(C[NH2+]Cc2nc3ccccc3n2C2CC2)cc1OCCCC#N	ZINC000184781735	822690047	/nfs/dbraw/zinc/69/00/47/822690047.db2.gz	JJAXXGVIPIYGPH-UHFFFAOYSA-N	1	1	390.487	4.352	20	30		GIEDMO
C[C@H]1C[C@@H](NC(=O)Nc2ccc(CC#N)cc2Cl)C[N@H+]1Cc1ccccc1	ZINC000455696285	822704805	/nfs/dbraw/zinc/70/48/05/822704805.db2.gz	BZFGPNCUDXYVSB-MAUKXSAKSA-N	1	1	382.895	4.191	20	30		GIEDMO
Cc1c[nH+]ccc1OC1CCN(C(=O)Nc2ccc(CC#N)cc2Cl)CC1	ZINC000455730959	822716040	/nfs/dbraw/zinc/71/60/40/822716040.db2.gz	LFCBUMHDGKWZSY-UHFFFAOYSA-N	1	1	384.867	4.185	20	30		GIEDMO
CCN(CCC#N)C(=O)C[NH2+][C@@H](C)c1nc(-c2ccc(Cl)cc2)c(C)s1	ZINC000184954406	822717807	/nfs/dbraw/zinc/71/78/07/822717807.db2.gz	YYIMIKWHLMZTQU-ZDUSSCGKSA-N	1	1	390.940	4.185	20	30		GIEDMO
C=CCN(Cc1ccccc1)C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1	ZINC000050137005	822720026	/nfs/dbraw/zinc/72/00/26/822720026.db2.gz	RKOSFWCMUXCIPR-HXUWFJFHSA-N	1	1	383.561	4.358	20	30		GIEDMO
C=CCN(Cc1ccccc1)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1	ZINC000050137004	822720077	/nfs/dbraw/zinc/72/00/77/822720077.db2.gz	RKOSFWCMUXCIPR-FQEVSTJZSA-N	1	1	383.561	4.358	20	30		GIEDMO
Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+](C)C(C2CC2)C2CC2)c1C#N	ZINC000050989105	822743764	/nfs/dbraw/zinc/74/37/64/822743764.db2.gz	BDHTUZACBWRGKJ-UHFFFAOYSA-N	1	1	390.531	4.084	20	30		GIEDMO
N#Cc1ccccc1Sc1ccc(NC(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1	ZINC000455944099	822755067	/nfs/dbraw/zinc/75/50/67/822755067.db2.gz	MJSHNLMRJDTHCR-MOPGFXCFSA-N	1	1	392.528	4.458	20	30		GIEDMO
Cc1cnc([C@H]([NH2+]CC(=O)N(CCC#N)c2cc(C)cc(C)c2)C2CC2)s1	ZINC000185314073	822764219	/nfs/dbraw/zinc/76/42/19/822764219.db2.gz	JZDLQZFWPFXUAY-HXUWFJFHSA-N	1	1	382.533	4.056	20	30		GIEDMO
C[C@H](NC(=O)C(C)(C)Cc1ccc(C#N)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000456001146	822764788	/nfs/dbraw/zinc/76/47/88/822764788.db2.gz	UPSNJFAMDLRCAT-CVDCTZTESA-N	1	1	389.543	4.154	20	30		GIEDMO
C[C@H]1CN(C(=O)c2ccc(C(C)(C)C#N)cc2)CC[N@@H+](Cc2ccccc2)C1	ZINC000456352027	822801198	/nfs/dbraw/zinc/80/11/98/822801198.db2.gz	XVDFZRTXZYPYRT-LJQANCHMSA-N	1	1	375.516	4.082	20	30		GIEDMO
Cc1ccc(OCc2nc(C[NH2+]CCOc3ccc(C#N)cc3)cs2)cc1	ZINC000174561405	822805191	/nfs/dbraw/zinc/80/51/91/822805191.db2.gz	LZNNANIPONSHNU-UHFFFAOYSA-N	1	1	379.485	4.071	20	30		GIEDMO
Cc1cc([NH+]2CCCC2)ccc1N[C@H](C)C(=O)N(CCC#N)c1ccccc1	ZINC000052774317	822810108	/nfs/dbraw/zinc/81/01/08/822810108.db2.gz	HLYIFUNYCFLSPJ-LJQANCHMSA-N	1	1	376.504	4.343	20	30		GIEDMO
Cc1oc(NC(=O)[C@@H](C)[N@H+](C)Cc2cccc(C(F)(F)F)c2)c(C#N)c1C	ZINC000053112605	822822342	/nfs/dbraw/zinc/82/23/42/822822342.db2.gz	IICLFJWROPZFRK-GFCCVEGCSA-N	1	1	379.382	4.246	20	30		GIEDMO
Cc1oc(NC(=O)[C@@H](C)[N@@H+](C)Cc2cccc(C(F)(F)F)c2)c(C#N)c1C	ZINC000053112605	822822344	/nfs/dbraw/zinc/82/23/44/822822344.db2.gz	IICLFJWROPZFRK-GFCCVEGCSA-N	1	1	379.382	4.246	20	30		GIEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)CC34CC5CC(CC(C5)C3)C4)CC2)cc1	ZINC000053720984	822845994	/nfs/dbraw/zinc/84/59/94/822845994.db2.gz	WBKUVMVARIWOMK-UHFFFAOYSA-N	1	1	391.559	4.199	20	30		GIEDMO
COc1ccccc1C[C@H](C)[N@@H+](C)CC(=O)c1cn(CCC#N)c2ccccc12	ZINC000174878097	822849770	/nfs/dbraw/zinc/84/97/70/822849770.db2.gz	BVFRFOUBENODGB-SFHVURJKSA-N	1	1	389.499	4.309	20	30		GIEDMO
CC[N@@H+](CC(=O)c1cn(CCC#N)c2ccccc12)C[C@@H](O)c1ccc(C)cc1	ZINC000174880206	822850065	/nfs/dbraw/zinc/85/00/65/822850065.db2.gz	AMYKDZIHKJEQEK-HSZRJFAPSA-N	1	1	389.499	4.102	20	30		GIEDMO
CC[N@H+](CC(=O)c1cn(CCC#N)c2ccccc12)C[C@@H](O)c1ccc(C)cc1	ZINC000174880206	822850068	/nfs/dbraw/zinc/85/00/68/822850068.db2.gz	AMYKDZIHKJEQEK-HSZRJFAPSA-N	1	1	389.499	4.102	20	30		GIEDMO
CC[N@@H+](CC(=O)c1cn(CCC#N)c2ccccc12)C[C@H](O)c1ccc(C)cc1	ZINC000174880188	822850119	/nfs/dbraw/zinc/85/01/19/822850119.db2.gz	AMYKDZIHKJEQEK-QHCPKHFHSA-N	1	1	389.499	4.102	20	30		GIEDMO
CC[N@H+](CC(=O)c1cn(CCC#N)c2ccccc12)C[C@H](O)c1ccc(C)cc1	ZINC000174880188	822850122	/nfs/dbraw/zinc/85/01/22/822850122.db2.gz	AMYKDZIHKJEQEK-QHCPKHFHSA-N	1	1	389.499	4.102	20	30		GIEDMO
CC(C)[C@H](NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)c1ccccc1	ZINC000054000717	822856509	/nfs/dbraw/zinc/85/65/09/822856509.db2.gz	GQKLNTQTWSTDNN-QHCPKHFHSA-N	1	1	390.531	4.173	20	30		GIEDMO
N#CCCn1cc(C[N@H+]2CC[C@]3(C2)OCc2ccccc23)c(-c2ccccc2)n1	ZINC000186435502	822894973	/nfs/dbraw/zinc/89/49/73/822894973.db2.gz	PIPWQOUUSWEZRF-XMMPIXPASA-N	1	1	384.483	4.095	20	30		GIEDMO
C=C(C)[C@@H]([NH2+][C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(F)c(F)c1	ZINC000186455377	822898393	/nfs/dbraw/zinc/89/83/93/822898393.db2.gz	SVJITEZYZGPLMH-JLTOFOAXSA-N	1	1	394.487	4.183	20	30		GIEDMO
CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1	ZINC000054720343	822907769	/nfs/dbraw/zinc/90/77/69/822907769.db2.gz	SPUDBMHHEGLFSD-CVDCTZTESA-N	1	1	390.531	4.315	20	30		GIEDMO
C=C(C)[C@H](Nc1ncnc2c1cnn2-c1cc[nH+]cc1)c1ccc(F)c(F)c1	ZINC000186840095	822965355	/nfs/dbraw/zinc/96/53/55/822965355.db2.gz	VBEGGRRJTYENHZ-SFHVURJKSA-N	1	1	378.386	4.218	20	30		GIEDMO
CCOc1ccc(C#N)cc1NC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1	ZINC000175620819	823008198	/nfs/dbraw/zinc/00/81/98/823008198.db2.gz	LSHCKGCNNWSIJU-HKUYNNGSSA-N	1	1	384.524	4.075	20	30		GIEDMO
CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)c1ccc(Sc2ccccc2C#N)cc1	ZINC000175684940	823019969	/nfs/dbraw/zinc/01/99/69/823019969.db2.gz	XQWXDHOVQFZSBU-KRWDZBQOSA-N	1	1	379.529	4.123	20	30		GIEDMO
N#Cc1ccc(C[N@H+]2CCC[C@H](c3nc4c(s3)CCCC4)C2)c([N+](=O)[O-])c1	ZINC000570399843	823032853	/nfs/dbraw/zinc/03/28/53/823032853.db2.gz	MVJVOUFIBMSILQ-INIZCTEOSA-N	1	1	382.489	4.181	20	30		GIEDMO
C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)Nc1ccc(F)cc1C#N	ZINC000177910539	823545265	/nfs/dbraw/zinc/54/52/65/823545265.db2.gz	DSCTVHQFLPMPJC-UHFFFAOYSA-N	1	1	392.434	4.244	20	30		GIEDMO
C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)Nc1ccc(F)cc1C#N	ZINC000177910539	823545266	/nfs/dbraw/zinc/54/52/66/823545266.db2.gz	DSCTVHQFLPMPJC-UHFFFAOYSA-N	1	1	392.434	4.244	20	30		GIEDMO
CO[C@@H](C)c1nc(CN2CCC[N@@H+](CCC3(C#N)CCCCC3)CC2)cs1	ZINC000411331183	823564798	/nfs/dbraw/zinc/56/47/98/823564798.db2.gz	LKVCQBFTVBLLKM-SFHVURJKSA-N	1	1	390.597	4.222	20	30		GIEDMO
C[C@H](c1ccncc1)[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2	ZINC000411427743	823573013	/nfs/dbraw/zinc/57/30/13/823573013.db2.gz	UKGAQJKUVJNFGM-HUUCEWRRSA-N	1	1	382.533	4.161	20	30		GIEDMO
C=CC[N@@H+](CCc1ccco1)[C@H](C)C(=O)Nc1ccccc1Br	ZINC000411482055	823580090	/nfs/dbraw/zinc/58/00/90/823580090.db2.gz	BWDUKAZWHPYUDO-CQSZACIVSA-N	1	1	377.282	4.100	20	30		GIEDMO
C=CC[N@H+](CCc1ccco1)[C@H](C)C(=O)Nc1ccccc1Br	ZINC000411482055	823580093	/nfs/dbraw/zinc/58/00/93/823580093.db2.gz	BWDUKAZWHPYUDO-CQSZACIVSA-N	1	1	377.282	4.100	20	30		GIEDMO
C[N@@H+](CCCCC#N)Cc1cccc(Br)c1OC[C@H]1CCCO1	ZINC000190508608	823582195	/nfs/dbraw/zinc/58/21/95/823582195.db2.gz	LWRWSXDGOCSQLI-MRXNPFEDSA-N	1	1	381.314	4.133	20	30		GIEDMO
C[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)C1CCN(c2ccccc2)CC1	ZINC000411664233	823595758	/nfs/dbraw/zinc/59/57/58/823595758.db2.gz	IZXOOWBKOXHTRH-UHFFFAOYSA-N	1	1	396.922	4.141	20	30		GIEDMO
N#Cc1ccccc1NC(=O)CC[N@H+]1CCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1	ZINC000411734218	823600996	/nfs/dbraw/zinc/60/09/96/823600996.db2.gz	SOWLMKNWNZCQAA-LJQANCHMSA-N	1	1	393.878	4.254	20	30		GIEDMO
N#Cc1ccccc1NC(=O)CC[N@@H+]1CCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1	ZINC000411734218	823600998	/nfs/dbraw/zinc/60/09/98/823600998.db2.gz	SOWLMKNWNZCQAA-LJQANCHMSA-N	1	1	393.878	4.254	20	30		GIEDMO
CSc1ccccc1OC[C@H](O)C[N@@H+](Cc1cc(C#N)ccc1F)C(C)C	ZINC000411977158	823617474	/nfs/dbraw/zinc/61/74/74/823617474.db2.gz	AOCMQTCEJSMOCM-GOSISDBHSA-N	1	1	388.508	4.070	20	30		GIEDMO
N#CC[C@H](CC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1)c1ccccc1	ZINC000461426995	823634331	/nfs/dbraw/zinc/63/43/31/823634331.db2.gz	KEYDVAADDAKURX-SGNDLWITSA-N	1	1	387.527	4.054	20	30		GIEDMO
C[C@H]1C[C@@H](CCNC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)C[N@H+]1Cc1ccccc1	ZINC000412200370	823635043	/nfs/dbraw/zinc/63/50/43/823635043.db2.gz	AYAJKHKPHUBJFW-IZSMGAQTSA-N	1	1	387.527	4.079	20	30		GIEDMO
C#CCN(Cc1ccc(F)cc1)C(=O)NCc1ccccc1C[N@H+](C)C(C)C	ZINC000062485340	823638267	/nfs/dbraw/zinc/63/82/67/823638267.db2.gz	FFIUCKSSANFOHR-UHFFFAOYSA-N	1	1	381.495	4.011	20	30		GIEDMO
C=CC[N@@H+](Cc1cccc(C#N)c1)C[C@@H](O)CO[C@@H]1CCCc2ccccc21	ZINC000063388249	823666356	/nfs/dbraw/zinc/66/63/56/823666356.db2.gz	WEIFSRMLILSNPF-ISKFKSNPSA-N	1	1	376.500	4.001	20	30		GIEDMO
CCCNc1ccc(C#N)cc1NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1	ZINC000461698902	823683282	/nfs/dbraw/zinc/68/32/82/823683282.db2.gz	UGRZAXJKXZGNOM-LJQANCHMSA-N	1	1	394.494	4.370	20	30		GIEDMO
C[N@@H+](Cc1cccc(Br)c1OCC(C)(C)O)CC(C)(C)CCC#N	ZINC000191687450	823733973	/nfs/dbraw/zinc/73/39/73/823733973.db2.gz	GBBQDAMBCZYFRW-UHFFFAOYSA-N	1	1	397.357	4.361	20	30		GIEDMO
CC(C)[N@H+](Cc1ccc(NC(=O)N[C@@H]2CCC[C@@H]2C#N)cc1)C[C@@H]1CCCCO1	ZINC000461928038	823759805	/nfs/dbraw/zinc/75/98/05/823759805.db2.gz	PHLFZVLWCJTUGE-BAGYTPMASA-N	1	1	398.551	4.280	20	30		GIEDMO
C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)N[C@@H]2CCCc3cc(C#N)ccc32)C1	ZINC000574549135	823761673	/nfs/dbraw/zinc/76/16/73/823761673.db2.gz	LTPCCUKIHZUVNW-QMHWCDLVSA-N	1	1	394.563	4.232	20	30		GIEDMO
COc1ccc(OC)c([C@H](C)[NH2+]Cc2cc(C#N)ccc2Br)c1	ZINC000191819956	823781780	/nfs/dbraw/zinc/78/17/80/823781780.db2.gz	NMUAZJPKHBNMFC-LBPRGKRZSA-N	1	1	375.266	4.189	20	30		GIEDMO
C[N@@H+](CCC(F)(F)F)[C@H](CNc1cnc(C#N)cn1)c1ccc(Cl)cc1	ZINC000574712740	823806634	/nfs/dbraw/zinc/80/66/34/823806634.db2.gz	IMCORDYZERDFEC-OAHLLOKOSA-N	1	1	383.805	4.039	20	30		GIEDMO
C[N@H+]1CCC[C@@H]2CN(C(=O)Nc3ccc(Oc4ccccc4C#N)cc3)CC[C@@H]21	ZINC000165032898	823831236	/nfs/dbraw/zinc/83/12/36/823831236.db2.gz	YQIQNXFIEOGBFS-NQIIRXRSSA-N	1	1	390.487	4.299	20	30		GIEDMO
N#Cc1ccc(C[NH+]2CCN(c3nc(-c4ccccc4F)cs3)CC2)cc1	ZINC000574920927	823860907	/nfs/dbraw/zinc/86/09/07/823860907.db2.gz	DVFGVUWGUFYIJB-UHFFFAOYSA-N	1	1	378.476	4.143	20	30		GIEDMO
C[C@@H](C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)c1cccc(C#N)c1	ZINC000462265794	823905892	/nfs/dbraw/zinc/90/58/92/823905892.db2.gz	CGVKOTPJXNLPGU-HXUWFJFHSA-N	1	1	387.527	4.176	20	30		GIEDMO
C[C@H](Cc1ccccc1Cl)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000127004777	823999355	/nfs/dbraw/zinc/99/93/55/823999355.db2.gz	ILFARFLXKOULSD-GOSISDBHSA-N	1	1	395.934	4.125	20	30		GIEDMO
C[C@H](Cc1ccccc1Cl)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000127004777	823999362	/nfs/dbraw/zinc/99/93/62/823999362.db2.gz	ILFARFLXKOULSD-GOSISDBHSA-N	1	1	395.934	4.125	20	30		GIEDMO
Cc1cccc(OCC[N@@H+](C)CC(=O)Nc2ccccc2S[C@@H](C)CC#N)c1	ZINC000170983618	824027727	/nfs/dbraw/zinc/02/77/27/824027727.db2.gz	BIEMIAMCDCOXST-SFHVURJKSA-N	1	1	397.544	4.339	20	30		GIEDMO
Cc1cccc(OCC[N@H+](C)CC(=O)Nc2ccccc2S[C@@H](C)CC#N)c1	ZINC000170983618	824027730	/nfs/dbraw/zinc/02/77/30/824027730.db2.gz	BIEMIAMCDCOXST-SFHVURJKSA-N	1	1	397.544	4.339	20	30		GIEDMO
C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(F)(F)c1ccc2nc(Cl)c(C#N)c(Cl)c2c1	ZINC001164637868	719259066	/nfs/dbraw/zinc/25/90/66/719259066.db2.gz	WSKLTZSMBWVRAQ-WDEREUQCSA-N	1	1	399.272	4.487	20	30		GIEDMO
C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(F)(F)c1ccc2nc(Cl)c(C#N)c(Cl)c2c1	ZINC001164637868	719259067	/nfs/dbraw/zinc/25/90/67/719259067.db2.gz	WSKLTZSMBWVRAQ-WDEREUQCSA-N	1	1	399.272	4.487	20	30		GIEDMO
C=CCN1C(=O)CC[C@@]12CCC[N@@H+](C(C)(C)c1ccnc(Cl)c1)[C@@H]2CC	ZINC001164702706	719824678	/nfs/dbraw/zinc/82/46/78/719824678.db2.gz	SZVDAEKDDWSHSK-DYESRHJHSA-N	1	1	375.944	4.392	20	30		GIEDMO
C=CCN1C(=O)CC[C@]12CCC[N@@H+](C(C)(C)c1ccnc(Cl)c1)[C@H]2CC	ZINC001164702712	719824734	/nfs/dbraw/zinc/82/47/34/719824734.db2.gz	SZVDAEKDDWSHSK-UWJYYQICSA-N	1	1	375.944	4.392	20	30		GIEDMO
Cc1sc2nc(C[NH+]3CCCC3)nc(N(C)Cc3ccc(C#N)cc3)c2c1C	ZINC000030523723	721837140	/nfs/dbraw/zinc/83/71/40/721837140.db2.gz	GHRSNQFGCXOOAU-UHFFFAOYSA-N	1	1	391.544	4.412	20	30		GIEDMO
C[C@@H]1C[C@@H](NC(=O)N[C@H](CCCC#N)c2ccccc2)C[N@H+]1Cc1ccccc1	ZINC000458574300	823058190	/nfs/dbraw/zinc/05/81/90/823058190.db2.gz	XFWMCSUKYUFFEK-UEVCKROQSA-N	1	1	390.531	4.384	20	30		GIEDMO
C=C(C)[C@H]([NH2+][C@@H](C)C(=O)Nc1cc(OC)ccc1OC)c1ccc(F)c(F)c1	ZINC000187757077	823126515	/nfs/dbraw/zinc/12/65/15/823126515.db2.gz	FLKIJIHYSUJCRG-RBZFPXEDSA-N	1	1	390.430	4.216	20	30		GIEDMO
COC1CC[NH+](C2(CNCc3ccc(C#N)cc3C(F)(F)F)CCCC2)CC1	ZINC000571247821	823155390	/nfs/dbraw/zinc/15/53/90/823155390.db2.gz	AUGPWFZLHLSGPA-UHFFFAOYSA-N	1	1	395.469	4.090	20	30		GIEDMO
CCOc1cc(CN2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc(Cl)c1O	ZINC000459295768	823157643	/nfs/dbraw/zinc/15/76/43/823157643.db2.gz	DIRLVXGCRXPOQD-UHFFFAOYSA-N	1	1	399.922	4.024	20	30		GIEDMO
Cc1ccc2[nH]c([C@@H]3CCC[N@H+](Cc4c(C#N)cccc4[N+](=O)[O-])C3)nc2c1	ZINC000459394290	823182121	/nfs/dbraw/zinc/18/21/21/823182121.db2.gz	SDQUBRGAZKMWPQ-MRXNPFEDSA-N	1	1	375.432	4.031	20	30		GIEDMO
Cc1ccc2[nH]c([C@@H]3CCC[N@@H+](Cc4c(C#N)cccc4[N+](=O)[O-])C3)nc2c1	ZINC000459394290	823182125	/nfs/dbraw/zinc/18/21/25/823182125.db2.gz	SDQUBRGAZKMWPQ-MRXNPFEDSA-N	1	1	375.432	4.031	20	30		GIEDMO
C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1CC(=O)Nc1ccccc1SCC#N	ZINC000121471732	823190979	/nfs/dbraw/zinc/19/09/79/823190979.db2.gz	PDYGRIUTVHAXOB-NVXWUHKLSA-N	1	1	383.492	4.258	20	30		GIEDMO
C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1CC(=O)Nc1ccccc1SCC#N	ZINC000121471732	823190982	/nfs/dbraw/zinc/19/09/82/823190982.db2.gz	PDYGRIUTVHAXOB-NVXWUHKLSA-N	1	1	383.492	4.258	20	30		GIEDMO
COc1cc(C#N)ccc1C[N@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1	ZINC000121516374	823198510	/nfs/dbraw/zinc/19/85/10/823198510.db2.gz	XNZMJSBPLBHLMP-AWEZNQCLSA-N	1	1	381.423	4.422	20	30		GIEDMO
C=CC[C@H](C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)c1ccccc1	ZINC000188460184	823243970	/nfs/dbraw/zinc/24/39/70/823243970.db2.gz	LVCKXBLZJJRFKO-FQEVSTJZSA-N	1	1	384.470	4.405	20	30		GIEDMO
N#Cc1cc(Br)ccc1NCCc1[nH+]ccn1Cc1ccccc1	ZINC000121838908	823260534	/nfs/dbraw/zinc/26/05/34/823260534.db2.gz	RCGQKENEEQCBJJ-UHFFFAOYSA-N	1	1	381.277	4.220	20	30		GIEDMO
N#CC[C@H](CC(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1ccccc1	ZINC000572174258	823294684	/nfs/dbraw/zinc/29/46/84/823294684.db2.gz	HRPXXZKVNBCEDH-ISKFKSNPSA-N	1	1	389.543	4.492	20	30		GIEDMO
C=CCOc1ccc(C[N@H+](C)CC(=O)Nc2ccccc2Br)cc1	ZINC000008037813	817987893	/nfs/dbraw/zinc/98/78/93/817987893.db2.gz	FTWASYIXFCJVPE-UHFFFAOYSA-N	1	1	389.293	4.084	20	30		GIEDMO
C=CCOc1ccc(C[N@@H+](C)CC(=O)Nc2ccccc2Br)cc1	ZINC000008037813	817987898	/nfs/dbraw/zinc/98/78/98/817987898.db2.gz	FTWASYIXFCJVPE-UHFFFAOYSA-N	1	1	389.293	4.084	20	30		GIEDMO
C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(c2nc3ccccc3s2)CC1	ZINC000008201668	818017077	/nfs/dbraw/zinc/01/70/77/818017077.db2.gz	RYWBJQVHSYRSBX-OAHLLOKOSA-N	1	1	390.512	4.375	20	30		GIEDMO
C[N@@H+](Cc1ccccc1NC(=O)COc1ccc(C#N)cc1)C1CCCCC1	ZINC000057565922	823310295	/nfs/dbraw/zinc/31/02/95/823310295.db2.gz	BRTGZBHRWPPKLU-UHFFFAOYSA-N	1	1	377.488	4.340	20	30		GIEDMO
COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N(CCC#N)c2cc(C)cc(C)c2)cc1	ZINC000015300589	818309123	/nfs/dbraw/zinc/30/91/23/818309123.db2.gz	RCRULYWJSIZEPJ-QHCPKHFHSA-N	1	1	391.515	4.396	20	30		GIEDMO
COc1ccc([C@@H]2CCC[N@H+]2CC(=O)N(CCC#N)c2cc(C)cc(C)c2)cc1	ZINC000015300589	818309131	/nfs/dbraw/zinc/30/91/31/818309131.db2.gz	RCRULYWJSIZEPJ-QHCPKHFHSA-N	1	1	391.515	4.396	20	30		GIEDMO
COc1ccc([C@H]2CCC[N@@H+]2CC(=O)N(CCC#N)c2cc(C)cc(C)c2)cc1	ZINC000015300590	818309435	/nfs/dbraw/zinc/30/94/35/818309435.db2.gz	RCRULYWJSIZEPJ-HSZRJFAPSA-N	1	1	391.515	4.396	20	30		GIEDMO
COc1ccc([C@H]2CCC[N@H+]2CC(=O)N(CCC#N)c2cc(C)cc(C)c2)cc1	ZINC000015300590	818309440	/nfs/dbraw/zinc/30/94/40/818309440.db2.gz	RCRULYWJSIZEPJ-HSZRJFAPSA-N	1	1	391.515	4.396	20	30		GIEDMO
Cc1[nH+]ccn1CCCCNC(=O)c1ccc(Oc2ccc(C#N)cc2C)cc1	ZINC000122266414	823330060	/nfs/dbraw/zinc/33/00/60/823330060.db2.gz	SBAOQPJQPQWASN-UHFFFAOYSA-N	1	1	388.471	4.374	20	30		GIEDMO
CC(C)(C)c1ccc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1	ZINC000023752724	818979902	/nfs/dbraw/zinc/97/99/02/818979902.db2.gz	GYZIIVVUDAHFJG-UHFFFAOYSA-N	1	1	375.516	4.204	20	30		GIEDMO
CC(C)(C)c1ccc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1	ZINC000023752724	818979907	/nfs/dbraw/zinc/97/99/07/818979907.db2.gz	GYZIIVVUDAHFJG-UHFFFAOYSA-N	1	1	375.516	4.204	20	30		GIEDMO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)cc1	ZINC000023752732	818979932	/nfs/dbraw/zinc/97/99/32/818979932.db2.gz	BTVDYMHKCJFZHU-UHFFFAOYSA-N	1	1	388.298	4.213	20	30		GIEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)cc1	ZINC000023752732	818979935	/nfs/dbraw/zinc/97/99/35/818979935.db2.gz	BTVDYMHKCJFZHU-UHFFFAOYSA-N	1	1	388.298	4.213	20	30		GIEDMO
CC(C)(C)OC(=O)NC1CC[NH+](CC#Cc2ccc(C(F)(F)F)cc2)CC1	ZINC000177257703	823411794	/nfs/dbraw/zinc/41/17/94/823411794.db2.gz	WSFWFSXCKOPMOB-UHFFFAOYSA-N	1	1	382.426	4.046	20	30		GIEDMO
CC(C)(C)c1ccccc1NC(=O)C[N@@H+]1CCCN(c2ccccc2C#N)CC1	ZINC000058580403	823412078	/nfs/dbraw/zinc/41/20/78/823412078.db2.gz	HOECMQLIWCCAGL-UHFFFAOYSA-N	1	1	390.531	4.007	20	30		GIEDMO
CC(C)(C)c1ccccc1NC(=O)C[N@H+]1CCCN(c2ccccc2C#N)CC1	ZINC000058580403	823412080	/nfs/dbraw/zinc/41/20/80/823412080.db2.gz	HOECMQLIWCCAGL-UHFFFAOYSA-N	1	1	390.531	4.007	20	30		GIEDMO
C=C(C)CN(CC)C(=O)C[NH+]1CCC(C(=O)c2ccc(CC(C)C)cc2)CC1	ZINC000058580758	823412146	/nfs/dbraw/zinc/41/21/46/823412146.db2.gz	PTKSLRJKHKFTDN-UHFFFAOYSA-N	1	1	384.564	4.204	20	30		GIEDMO
Cc1ccsc1[C@H](Cc1ccccc1)[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1	ZINC000122770074	823409234	/nfs/dbraw/zinc/40/92/34/823409234.db2.gz	BLUVYOJTIDGKCL-PMACEKPBSA-N	1	1	375.497	4.028	20	30		GIEDMO
N#Cc1ccc(CN2CCC[N@@H+](Cc3cnc(-c4ccsc4)s3)CC2)cc1	ZINC000122820930	823418005	/nfs/dbraw/zinc/41/80/05/823418005.db2.gz	CNHNLRJASONRQY-UHFFFAOYSA-N	1	1	394.569	4.451	20	30		GIEDMO
N#Cc1ccc(C[N@@H+]2CCCN(Cc3cnc(-c4ccsc4)s3)CC2)cc1	ZINC000122820930	823418008	/nfs/dbraw/zinc/41/80/08/823418008.db2.gz	CNHNLRJASONRQY-UHFFFAOYSA-N	1	1	394.569	4.451	20	30		GIEDMO
N#Cc1ccc(C[N@H+]2CCCN(Cc3cnc(-c4ccsc4)s3)CC2)cc1	ZINC000122820930	823418010	/nfs/dbraw/zinc/41/80/10/823418010.db2.gz	CNHNLRJASONRQY-UHFFFAOYSA-N	1	1	394.569	4.451	20	30		GIEDMO
CC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)C1	ZINC000189476826	823425708	/nfs/dbraw/zinc/42/57/08/823425708.db2.gz	BSUQOAYGYLKGTF-QGZVFWFLSA-N	1	1	378.476	4.156	20	30		GIEDMO
C[C@@H]1C[N@@H+](Cc2ccc(C(=O)Nc3ccc(C(C)(C)C#N)cc3)cc2)C[C@H](C)O1	ZINC000025119778	819932375	/nfs/dbraw/zinc/93/23/75/819932375.db2.gz	HQQCTXNVGXTSMB-HDICACEKSA-N	1	1	391.515	4.349	20	30		GIEDMO
C[C@@H]1C[N@H+](Cc2ccc(C(=O)Nc3ccc(C(C)(C)C#N)cc3)cc2)C[C@H](C)O1	ZINC000025119778	819932379	/nfs/dbraw/zinc/93/23/79/819932379.db2.gz	HQQCTXNVGXTSMB-HDICACEKSA-N	1	1	391.515	4.349	20	30		GIEDMO
N#Cc1ccc(CN2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)c(F)c1	ZINC000025438752	819979968	/nfs/dbraw/zinc/97/99/68/819979968.db2.gz	ZMKQRYSHEFDSBG-UHFFFAOYSA-N	1	1	391.412	4.424	20	30		GIEDMO
C[C@H](c1ccc([S@](C)=O)cc1)[N@H+](C)CC#Cc1ccc(C(F)(F)F)cc1	ZINC000177365156	823446154	/nfs/dbraw/zinc/44/61/54/823446154.db2.gz	IORHYRNZROAYJR-WZQKQDCOSA-N	1	1	379.447	4.487	20	30		GIEDMO
C[C@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)CC#Cc1ccc(C(F)(F)F)cc1	ZINC000177365156	823446156	/nfs/dbraw/zinc/44/61/56/823446156.db2.gz	IORHYRNZROAYJR-WZQKQDCOSA-N	1	1	379.447	4.487	20	30		GIEDMO
N#Cc1ccccc1-c1ccc(C[N@@H+]2CCC[C@@H]2C(=O)NCc2ccco2)cc1	ZINC000026135051	820063396	/nfs/dbraw/zinc/06/33/96/820063396.db2.gz	LMORLIXSHJOTAA-HSZRJFAPSA-N	1	1	385.467	4.099	20	30		GIEDMO
COc1ccc2cc(C[N@@H+](C)CCC(=O)Nc3sccc3C#N)ccc2c1	ZINC000026301304	820079875	/nfs/dbraw/zinc/07/98/75/820079875.db2.gz	KINXWQBEUQRKRD-UHFFFAOYSA-N	1	1	379.485	4.242	20	30		GIEDMO
Cc1cc(NC(=O)[C@@H](C)[N@H+](C)Cc2cccc(C#N)c2)ccc1Br	ZINC000026330403	820085141	/nfs/dbraw/zinc/08/51/41/820085141.db2.gz	SKJHDPRPACKZOV-CQSZACIVSA-N	1	1	386.293	4.088	20	30		GIEDMO
Cc1cc(NC(=O)[C@@H](C)[N@@H+](C)Cc2cccc(C#N)c2)ccc1Br	ZINC000026330403	820085150	/nfs/dbraw/zinc/08/51/50/820085150.db2.gz	SKJHDPRPACKZOV-CQSZACIVSA-N	1	1	386.293	4.088	20	30		GIEDMO
N#CC1(CCC[NH+]2CCN(Cc3cccc4ccccc43)CC2)CCOCC1	ZINC000410315631	823460694	/nfs/dbraw/zinc/46/06/94/823460694.db2.gz	JENBMVWCBHUNMV-UHFFFAOYSA-N	1	1	377.532	4.058	20	30		GIEDMO
CN(Cc1cccc(C#N)c1)C(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1	ZINC000573261418	823472472	/nfs/dbraw/zinc/47/24/72/823472472.db2.gz	BDTFXUPBAFQEBO-QHCPKHFHSA-N	1	1	390.531	4.002	20	30		GIEDMO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3cc4ccc(Cl)cc4[nH]3)CC2)cc1	ZINC000028885207	820367097	/nfs/dbraw/zinc/36/70/97/820367097.db2.gz	QZSOVJIZVSQEKV-UHFFFAOYSA-N	1	1	392.890	4.041	20	30		GIEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cc4ccc(Cl)cc4[nH]3)CC2)cc1	ZINC000028885207	820367107	/nfs/dbraw/zinc/36/71/07/820367107.db2.gz	QZSOVJIZVSQEKV-UHFFFAOYSA-N	1	1	392.890	4.041	20	30		GIEDMO
CC[N@@H+](CCCC1(C#N)CCOCC1)CCOc1ccc(Br)cc1	ZINC000410381957	823481924	/nfs/dbraw/zinc/48/19/24/823481924.db2.gz	NAEWJUMISBSVCT-UHFFFAOYSA-N	1	1	395.341	4.250	20	30		GIEDMO
N#Cc1ccc(CN2CCC[N@H+](Cc3cc(-c4ccc(F)cc4)no3)CC2)cc1	ZINC000029712117	820503819	/nfs/dbraw/zinc/50/38/19/820503819.db2.gz	IMOFHPYRSUWDCU-UHFFFAOYSA-N	1	1	390.462	4.060	20	30		GIEDMO
N#Cc1ccc(C[N@H+]2CCCN(Cc3cc(-c4ccc(F)cc4)no3)CC2)cc1	ZINC000029712117	820503822	/nfs/dbraw/zinc/50/38/22/820503822.db2.gz	IMOFHPYRSUWDCU-UHFFFAOYSA-N	1	1	390.462	4.060	20	30		GIEDMO
N#Cc1ccc(C[N@@H+]2CCCN(Cc3cc(-c4ccc(F)cc4)no3)CC2)cc1	ZINC000029712117	820503826	/nfs/dbraw/zinc/50/38/26/820503826.db2.gz	IMOFHPYRSUWDCU-UHFFFAOYSA-N	1	1	390.462	4.060	20	30		GIEDMO
Cc1ccc(S[C@H](C)C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1	ZINC000029984668	820561143	/nfs/dbraw/zinc/56/11/43/820561143.db2.gz	KSFUTNKDCRQWFO-LJQANCHMSA-N	1	1	393.556	4.082	20	30		GIEDMO
Cc1ccc(S[C@H](C)C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1	ZINC000029984668	820561146	/nfs/dbraw/zinc/56/11/46/820561146.db2.gz	KSFUTNKDCRQWFO-LJQANCHMSA-N	1	1	393.556	4.082	20	30		GIEDMO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3csc4ccccc34)CC2)cc1	ZINC000029985605	820561254	/nfs/dbraw/zinc/56/12/54/820561254.db2.gz	ZBALTQNSRZMTLB-UHFFFAOYSA-N	1	1	375.497	4.121	20	30		GIEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3csc4ccccc34)CC2)cc1	ZINC000029985605	820561263	/nfs/dbraw/zinc/56/12/63/820561263.db2.gz	ZBALTQNSRZMTLB-UHFFFAOYSA-N	1	1	375.497	4.121	20	30		GIEDMO
Cc1cccc2nc(C3CC[NH+]([C@H](C)C(=O)Nc4ccccc4C#N)CC3)oc21	ZINC000189800241	823496805	/nfs/dbraw/zinc/49/68/05/823496805.db2.gz	SQWYHDDTBAZHRM-MRXNPFEDSA-N	1	1	388.471	4.215	20	30		GIEDMO
C=C(C)Cn1c(-c2cc(C)oc2C)nnc1N1CCC[N@H+](C2CCCC2)CC1	ZINC000460795504	823514553	/nfs/dbraw/zinc/51/45/53/823514553.db2.gz	QNCQAPRWGAOHHK-UHFFFAOYSA-N	1	1	383.540	4.186	20	30		GIEDMO
C=C(C)Cn1c(-c2ccoc2)nnc1N1CCC(c2[nH+]cc3n2CCCC3)CC1	ZINC000460803009	823516688	/nfs/dbraw/zinc/51/66/88/823516688.db2.gz	LZCZHTOJYKOQTK-UHFFFAOYSA-N	1	1	392.507	4.031	20	30		GIEDMO
CCCOc1cccc(CNC(=O)C[N@@H+](CC)[C@H](C)c2ccc(C#N)cc2)c1	ZINC000060469448	823531738	/nfs/dbraw/zinc/53/17/38/823531738.db2.gz	GUXSQJSPFVHBRE-GOSISDBHSA-N	1	1	379.504	4.046	20	30		GIEDMO
CC[N@@H+](CC(=O)N(C)[C@@H]1CCCc2ccccc21)[C@H](C)c1ccc(C#N)cc1	ZINC000060477512	823532650	/nfs/dbraw/zinc/53/26/50/823532650.db2.gz	SAAHKYJHLPGADE-WZONZLPQSA-N	1	1	375.516	4.477	20	30		GIEDMO
N#Cc1c(F)cccc1N1CC[NH+](Cc2cc(Cl)cc3cccnc32)CC1	ZINC000042133583	821273252	/nfs/dbraw/zinc/27/32/52/821273252.db2.gz	TVYUFWBLOFIKAW-UHFFFAOYSA-N	1	1	380.854	4.221	20	30		GIEDMO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)Nc3ccc(F)cc3Cl)CC2)cc1	ZINC000043262881	821382656	/nfs/dbraw/zinc/38/26/56/821382656.db2.gz	GVMODBKJYBXFQP-UHFFFAOYSA-N	1	1	386.858	4.091	20	30		GIEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Nc3ccc(F)cc3Cl)CC2)cc1	ZINC000043262881	821382664	/nfs/dbraw/zinc/38/26/64/821382664.db2.gz	GVMODBKJYBXFQP-UHFFFAOYSA-N	1	1	386.858	4.091	20	30		GIEDMO
Cc1oc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccccc2C(F)(F)F)c(C#N)c1C	ZINC000043644353	821435026	/nfs/dbraw/zinc/43/50/26/821435026.db2.gz	MDAXKWOWAPHWKK-GFCCVEGCSA-N	1	1	379.382	4.246	20	30		GIEDMO
Cc1oc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccccc2C(F)(F)F)c(C#N)c1C	ZINC000043644353	821435027	/nfs/dbraw/zinc/43/50/27/821435027.db2.gz	MDAXKWOWAPHWKK-GFCCVEGCSA-N	1	1	379.382	4.246	20	30		GIEDMO
C=C(C)COc1cc(C[N@H+](C)Cc2cn(C)nc2C(F)(F)F)ccc1OC	ZINC000180793637	821462321	/nfs/dbraw/zinc/46/23/21/821462321.db2.gz	UTISMTYUQHPCOK-UHFFFAOYSA-N	1	1	383.414	4.034	20	30		GIEDMO
C=C(C)COc1cc(C[N@@H+](C)Cc2cn(C)nc2C(F)(F)F)ccc1OC	ZINC000180793637	821462324	/nfs/dbraw/zinc/46/23/24/821462324.db2.gz	UTISMTYUQHPCOK-UHFFFAOYSA-N	1	1	383.414	4.034	20	30		GIEDMO
Cc1ccc2[nH]c([C@@H]3CCC[N@@H+](CCC(=O)Nc4sccc4C#N)C3)nc2c1	ZINC000181147321	821663299	/nfs/dbraw/zinc/66/32/99/821663299.db2.gz	UTVLWRDPKFCARQ-MRXNPFEDSA-N	1	1	393.516	4.013	20	30		GIEDMO
Cc1ccc2nc([C@@H]3CCC[N@H+](CCC(=O)Nc4sccc4C#N)C3)[nH]c2c1	ZINC000181147321	821663307	/nfs/dbraw/zinc/66/33/07/821663307.db2.gz	UTVLWRDPKFCARQ-MRXNPFEDSA-N	1	1	393.516	4.013	20	30		GIEDMO
Cc1ccc2nc([C@@H]3CCC[N@@H+](CCC(=O)Nc4sccc4C#N)C3)[nH]c2c1	ZINC000181147321	821663316	/nfs/dbraw/zinc/66/33/16/821663316.db2.gz	UTVLWRDPKFCARQ-MRXNPFEDSA-N	1	1	393.516	4.013	20	30		GIEDMO
Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+](CCC(C)C)C2CC2)c1C#N	ZINC000044898494	821678279	/nfs/dbraw/zinc/67/82/79/821678279.db2.gz	DSKISICYVOVHMU-UHFFFAOYSA-N	1	1	382.508	4.067	20	30		GIEDMO
CC(C)[N@@H+]1CC[C@@H](NC(=O)c2cccc(CC#N)c2)[C@@H]1c1ccc(Cl)c(F)c1	ZINC000181369680	821792320	/nfs/dbraw/zinc/79/23/20/821792320.db2.gz	FEQFGQRRBUDZLV-RTWAWAEBSA-N	1	1	399.897	4.499	20	30		GIEDMO
CC(C)[N@H+]1CC[C@@H](NC(=O)c2cccc(CC#N)c2)[C@@H]1c1ccc(Cl)c(F)c1	ZINC000181369680	821792322	/nfs/dbraw/zinc/79/23/22/821792322.db2.gz	FEQFGQRRBUDZLV-RTWAWAEBSA-N	1	1	399.897	4.499	20	30		GIEDMO
C[C@H]([NH2+]Cc1ccc(CN2C[C@H](C)O[C@@H](C)C2)cc1)c1ccc(OCC#N)cc1	ZINC000181441440	821827905	/nfs/dbraw/zinc/82/79/05/821827905.db2.gz	GPYQUUQOZDIIGD-UFYCRDLUSA-N	1	1	393.531	4.049	20	30		GIEDMO
C[C@H]([NH2+]Cc1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1)c1ccc(OCC#N)cc1	ZINC000181441461	821827916	/nfs/dbraw/zinc/82/79/16/821827916.db2.gz	GPYQUUQOZDIIGD-AQNXPRMDSA-N	1	1	393.531	4.049	20	30		GIEDMO
C[C@@H]([NH2+][C@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1)c1ccc(C#N)cc1	ZINC000181836610	822012813	/nfs/dbraw/zinc/01/28/13/822012813.db2.gz	NIGZRJBKLGFDAJ-UZUQRXQVSA-N	1	1	390.508	4.402	20	30		GIEDMO
C=CCOc1c(Br)cc(C[N@H+](C)Cc2cccnc2)cc1OC	ZINC000182034247	822068743	/nfs/dbraw/zinc/06/87/43/822068743.db2.gz	WNWYECQBIKVMSM-UHFFFAOYSA-N	1	1	377.282	4.050	20	30		GIEDMO
C=CCOc1c(Br)cc(C[N@@H+](C)Cc2cccnc2)cc1OC	ZINC000182034247	822068753	/nfs/dbraw/zinc/06/87/53/822068753.db2.gz	WNWYECQBIKVMSM-UHFFFAOYSA-N	1	1	377.282	4.050	20	30		GIEDMO
CC[C@H]([NH2+]CC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1c(C)noc1C	ZINC000182447609	822245744	/nfs/dbraw/zinc/24/57/44/822245744.db2.gz	VESBBSRZFXUWIL-BBRMVZONSA-N	1	1	386.521	4.223	20	30		GIEDMO
Cc1c(C#N)cccc1NC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1	ZINC000178533676	822388913	/nfs/dbraw/zinc/38/89/13/822388913.db2.gz	YSPCNZHDNYXTTC-GMAHTHKFSA-N	1	1	388.515	4.385	20	30		GIEDMO
C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N(C)Cc3ccc(C#N)cc3)cc2)C1	ZINC000045788012	822413755	/nfs/dbraw/zinc/41/37/55/822413755.db2.gz	FOTWWTZLVYKRCQ-IBGZPJMESA-N	1	1	390.531	4.132	20	30		GIEDMO
C[N@@H+](Cc1ccccc1CNC(=O)N[C@H]1CC[C@@H](CC#N)C1)C1CCCCC1	ZINC000454359784	822461724	/nfs/dbraw/zinc/46/17/24/822461724.db2.gz	HLFBFVTWFQRVIW-RXVVDRJESA-N	1	1	382.552	4.333	20	30		GIEDMO
C=CCOc1c(Br)cc(C[N@H+](C)Cc2scnc2C)cc1OC	ZINC000179427753	822481013	/nfs/dbraw/zinc/48/10/13/822481013.db2.gz	LAQRFFYHXHMRGK-UHFFFAOYSA-N	1	1	397.338	4.419	20	30		GIEDMO
C=CCOc1c(Br)cc(C[N@@H+](C)Cc2scnc2C)cc1OC	ZINC000179427753	822481014	/nfs/dbraw/zinc/48/10/14/822481014.db2.gz	LAQRFFYHXHMRGK-UHFFFAOYSA-N	1	1	397.338	4.419	20	30		GIEDMO
CC[N@@H+](Cc1ccccc1OCC(=O)NCC1CC1)[C@H](C)c1ccc(C#N)cc1	ZINC000179463866	822486583	/nfs/dbraw/zinc/48/65/83/822486583.db2.gz	RTGRYQPHQHMPBY-GOSISDBHSA-N	1	1	391.515	4.046	20	30		GIEDMO
C=CCC[C@H](NC(=O)N1C[C@H]2CC[N@H+](C)[C@H]2C1)c1ccc(C(F)(F)F)cc1	ZINC000454711973	822522015	/nfs/dbraw/zinc/52/20/15/822522015.db2.gz	RHYITCSMRJMNRW-NJAFHUGGSA-N	1	1	381.442	4.058	20	30		GIEDMO
C[C@@H]1CN(C(=O)N[C@H](CCC#N)c2ccccc2)CC[N@@H+](Cc2ccccc2)C1	ZINC000454725000	822523947	/nfs/dbraw/zinc/52/39/47/822523947.db2.gz	UUMHOIMWKRJCER-NZQKXSOJSA-N	1	1	390.531	4.195	20	30		GIEDMO
CC[C@H](c1ccncc1)[N@H+](C)CC(=O)Nc1ccccc1SC[C@@H](C)C#N	ZINC000179702228	822530824	/nfs/dbraw/zinc/53/08/24/822530824.db2.gz	BRCUVOBKMXOBIE-QFBILLFUSA-N	1	1	382.533	4.355	20	30		GIEDMO
CC[C@H](c1ccncc1)[N@@H+](C)CC(=O)Nc1ccccc1SC[C@@H](C)C#N	ZINC000179702228	822530828	/nfs/dbraw/zinc/53/08/28/822530828.db2.gz	BRCUVOBKMXOBIE-QFBILLFUSA-N	1	1	382.533	4.355	20	30		GIEDMO
Cc1ccccc1[C@H](C[NH+]1CCOCC1)Nc1cccc(OCCCC#N)c1	ZINC000183887216	822541005	/nfs/dbraw/zinc/54/10/05/822541005.db2.gz	NNLGKALCZARDNR-QHCPKHFHSA-N	1	1	379.504	4.163	20	30		GIEDMO
COc1ccc(C[N@@H+]2CC=C(c3ccc(O)cc3)CC2)cc1OCCCC#N	ZINC000179804770	822556438	/nfs/dbraw/zinc/55/64/38/822556438.db2.gz	GFRVBZWIQOBXEO-UHFFFAOYSA-N	1	1	378.472	4.373	20	30		GIEDMO
COc1ccc(F)cc1[C@H](C)[NH2+]CC(=O)N(CCC#N)c1cccc(C)c1C	ZINC000179942177	822582088	/nfs/dbraw/zinc/58/20/88/822582088.db2.gz	OWCNSMOPQVRGSI-KRWDZBQOSA-N	1	1	383.467	4.049	20	30		GIEDMO
CC[C@H]([NH2+]CC(=O)Nc1ccccc1SC[C@H](C)C#N)c1nc(C)cs1	ZINC000184384318	822626000	/nfs/dbraw/zinc/62/60/00/822626000.db2.gz	YURUKTWUNKTTKQ-HIFRSBDPSA-N	1	1	388.562	4.383	20	30		GIEDMO
CC[C@@H]([NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2)c1nc(C)cs1	ZINC000184394142	822627858	/nfs/dbraw/zinc/62/78/58/822627858.db2.gz	UJJSCDBZKYVXAN-OAHLLOKOSA-N	1	1	388.562	4.333	20	30		GIEDMO
CN(CC[N@@H+](C)C1CC1)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1	ZINC000184446403	822636628	/nfs/dbraw/zinc/63/66/28/822636628.db2.gz	MRDHVMLAYWTKPQ-UHFFFAOYSA-N	1	1	382.439	4.048	20	30		GIEDMO
CCc1nc2c(s1)[C@@H]([N@@H+](C)Cc1cn(C)nc1-c1ccc(C#N)cc1)CCC2	ZINC000180223074	822642476	/nfs/dbraw/zinc/64/24/76/822642476.db2.gz	XLAOGAVHTMSGBX-IBGZPJMESA-N	1	1	391.544	4.487	20	30		GIEDMO
C[N@H+](Cc1ccccc1)CC1CCN(C(=O)c2ccc(C3(C#N)CC3)cc2)CC1	ZINC000180237682	822645838	/nfs/dbraw/zinc/64/58/38/822645838.db2.gz	LVUBOAIXXMLASD-UHFFFAOYSA-N	1	1	387.527	4.226	20	30		GIEDMO
N#Cc1ccsc1NC(=O)C[NH2+][C@@H](COc1ccccc1F)c1ccccc1	ZINC000180318875	822662600	/nfs/dbraw/zinc/66/26/00/822662600.db2.gz	XWPQCWWRIDBHHX-SFHVURJKSA-N	1	1	395.459	4.107	20	30		GIEDMO
N#Cc1ccsc1NC(=O)C[NH2+][C@H](COc1ccccc1F)c1ccccc1	ZINC000180318861	822662654	/nfs/dbraw/zinc/66/26/54/822662654.db2.gz	XWPQCWWRIDBHHX-GOSISDBHSA-N	1	1	395.459	4.107	20	30		GIEDMO
Cn1cc(CNc2ccc3c(c2)[nH+]c(C2CC2)n3C)c(-c2ccc(C#N)cc2)n1	ZINC000180350095	822668164	/nfs/dbraw/zinc/66/81/64/822668164.db2.gz	XVCNKVZHYRACSN-UHFFFAOYSA-N	1	1	382.471	4.335	20	30		GIEDMO
C[C@H]1C[C@H](NC(=O)Nc2ccc(CC#N)cc2Cl)C[N@H+]1Cc1ccccc1	ZINC000455696287	822704908	/nfs/dbraw/zinc/70/49/08/822704908.db2.gz	BZFGPNCUDXYVSB-YJBOKZPZSA-N	1	1	382.895	4.191	20	30		GIEDMO
CCOc1ccc(C#N)cc1NC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1	ZINC000050059408	822716636	/nfs/dbraw/zinc/71/66/36/822716636.db2.gz	UDPSPHZWKJNTMT-KRWDZBQOSA-N	1	1	398.532	4.052	20	30		GIEDMO
C[C@@H](NC(=O)C(C)(C)Cc1ccc(C#N)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000456001148	822764775	/nfs/dbraw/zinc/76/47/75/822764775.db2.gz	UPSNJFAMDLRCAT-XXBNENTESA-N	1	1	389.543	4.154	20	30		GIEDMO
CCC[N@@H+](CC(=O)N(CCC#N)c1cccc(C)c1C)Cc1ccccc1O	ZINC000174372595	822779875	/nfs/dbraw/zinc/77/98/75/822779875.db2.gz	XYXKMPXWCZKCAG-UHFFFAOYSA-N	1	1	379.504	4.168	20	30		GIEDMO
C[C@@H]1CN(C(=O)C[C@H](CC#N)c2ccccc2)CC[N@@H+](Cc2ccccc2)C1	ZINC000456329599	822798924	/nfs/dbraw/zinc/79/89/24/822798924.db2.gz	IQEQGQHBUMKOIP-REWPJTCUSA-N	1	1	375.516	4.054	20	30		GIEDMO
CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H]2c2cccc(F)c2)cc1	ZINC000052454646	822800337	/nfs/dbraw/zinc/80/03/37/822800337.db2.gz	XTHBEQPDONRUIS-QFIPXVFZSA-N	1	1	395.478	4.308	20	30		GIEDMO
CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@H]2c2cccc(F)c2)cc1	ZINC000052454646	822800342	/nfs/dbraw/zinc/80/03/42/822800342.db2.gz	XTHBEQPDONRUIS-QFIPXVFZSA-N	1	1	395.478	4.308	20	30		GIEDMO
Cc1nnc(NC2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)c(C#N)c1C	ZINC000052486842	822801120	/nfs/dbraw/zinc/80/11/20/822801120.db2.gz	HLVZZLQEKWVRDZ-UHFFFAOYSA-N	1	1	389.425	4.060	20	30		GIEDMO
C=C(C)Cn1c(SCC[N@H+](C)Cc2ccc(F)cc2)nnc1-c1ccncc1	ZINC000185695470	822810932	/nfs/dbraw/zinc/81/09/32/822810932.db2.gz	YNLNTPWXCXLZBL-UHFFFAOYSA-N	1	1	397.523	4.279	20	30		GIEDMO
N#CCc1cccc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C(F)(F)F)c1	ZINC000456762921	822829741	/nfs/dbraw/zinc/82/97/41/822829741.db2.gz	ZFGBYXAQKQGHAG-RTBURBONSA-N	1	1	387.405	4.002	20	30		GIEDMO
C[N@H+](Cc1ccc(-c2ccccc2C#N)cc1)[C@H]1CCCC[C@@H]1S(C)(=O)=O	ZINC000174783796	822836677	/nfs/dbraw/zinc/83/66/77/822836677.db2.gz	KWJXSWXARZJLTQ-VXKWHMMOSA-N	1	1	382.529	4.013	20	30		GIEDMO
C[N@@H+](Cc1ccc(-c2ccccc2C#N)cc1)[C@H]1CCCC[C@@H]1S(C)(=O)=O	ZINC000174783796	822836680	/nfs/dbraw/zinc/83/66/80/822836680.db2.gz	KWJXSWXARZJLTQ-VXKWHMMOSA-N	1	1	382.529	4.013	20	30		GIEDMO
C[N@@H+](CCCOc1cccc(Cl)c1)CCC(=O)Nc1sccc1C#N	ZINC000053741362	822846759	/nfs/dbraw/zinc/84/67/59/822846759.db2.gz	XCLDVAKLTDXREM-UHFFFAOYSA-N	1	1	377.897	4.003	20	30		GIEDMO
CC(C)[C@@H](NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)c1ccccc1	ZINC000054000719	822856563	/nfs/dbraw/zinc/85/65/63/822856563.db2.gz	GQKLNTQTWSTDNN-HSZRJFAPSA-N	1	1	390.531	4.173	20	30		GIEDMO
N#Cc1ccccc1-c1ccccc1C(=O)NCC[N@@H+]1CCc2sccc2C1	ZINC000054220497	822868945	/nfs/dbraw/zinc/86/89/45/822868945.db2.gz	RBKBHDLFSVPVLB-UHFFFAOYSA-N	1	1	387.508	4.075	20	30		GIEDMO
N#Cc1ccccc1-c1ccccc1C(=O)NCC[N@H+]1CCc2sccc2C1	ZINC000054220497	822868953	/nfs/dbraw/zinc/86/89/53/822868953.db2.gz	RBKBHDLFSVPVLB-UHFFFAOYSA-N	1	1	387.508	4.075	20	30		GIEDMO
Cc1cc(C#N)ccc1C[N@H+]1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1	ZINC000186288515	822871365	/nfs/dbraw/zinc/87/13/65/822871365.db2.gz	XRGPLUGMWTZMKY-GOSISDBHSA-N	1	1	380.467	4.040	20	30		GIEDMO
CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CSc1ccc(C#N)cc1	ZINC000175286701	822924945	/nfs/dbraw/zinc/92/49/45/822924945.db2.gz	VNLDVNALAGVRAK-NRFANRHFSA-N	1	1	393.556	4.021	20	30		GIEDMO
CN(CC[N@@H+](C)C1CC1)C(=O)c1ccccc1SCc1ccc(C#N)cc1	ZINC000186749303	822949287	/nfs/dbraw/zinc/94/92/87/822949287.db2.gz	GUAALSVWLHSFGI-UHFFFAOYSA-N	1	1	379.529	4.017	20	30		GIEDMO
COc1ccc(-c2nc3c(s2)[C@H]([NH2+]Cc2nc(C#N)cs2)CCC3)cc1	ZINC000569771053	822966605	/nfs/dbraw/zinc/96/66/05/822966605.db2.gz	LBYDYAXBFWLXAX-OAHLLOKOSA-N	1	1	382.514	4.314	20	30		GIEDMO
C[N@@H+](CCC(=O)Nc1sccc1C#N)[C@H]1C[C@@H](Oc2ccccc2)C1(C)C	ZINC000569953150	822989449	/nfs/dbraw/zinc/98/94/49/822989449.db2.gz	CWYBUVYJWPMANU-ZWKOTPCHSA-N	1	1	383.517	4.126	20	30		GIEDMO
C[N@@H+](CCC(=O)Nc1sccc1C#N)[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C	ZINC000569953147	822989465	/nfs/dbraw/zinc/98/94/65/822989465.db2.gz	CWYBUVYJWPMANU-QZTJIDSGSA-N	1	1	383.517	4.126	20	30		GIEDMO
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C)C[C@H]1CCC[N@@H+](C)C1	ZINC000175618082	823007663	/nfs/dbraw/zinc/00/76/63/823007663.db2.gz	WPWLZPVFEGVKBM-IBGZPJMESA-N	1	1	392.503	4.465	20	30		GIEDMO
C=CCn1c(-c2ccoc2)nnc1N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1	ZINC000570203897	823015088	/nfs/dbraw/zinc/01/50/88/823015088.db2.gz	NNOWNQWBCHQLEO-RXVVDRJESA-N	1	1	391.519	4.213	20	30		GIEDMO
C=CCn1c(-c2ccoc2)nnc1N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1	ZINC000570203895	823015102	/nfs/dbraw/zinc/01/51/02/823015102.db2.gz	NNOWNQWBCHQLEO-NQIIRXRSSA-N	1	1	391.519	4.213	20	30		GIEDMO
Cc1ccc(C)c(NC(=O)Cc2nc(C[NH+]3CCC(CCC#N)CC3)cs2)c1	ZINC000570393402	823032654	/nfs/dbraw/zinc/03/26/54/823032654.db2.gz	HCYBSOFKEFLTML-UHFFFAOYSA-N	1	1	396.560	4.457	20	30		GIEDMO
C=CCOc1c(Br)cc(C[N@H+]2CCC[C@](CC)(CO)C2)cc1OC	ZINC000190219389	823552194	/nfs/dbraw/zinc/55/21/94/823552194.db2.gz	QKHVXKIJAKVCFN-IBGZPJMESA-N	1	1	398.341	4.007	20	30		GIEDMO
C=CCOc1c(Br)cc(C[N@@H+]2CCC[C@](CC)(CO)C2)cc1OC	ZINC000190219389	823552195	/nfs/dbraw/zinc/55/21/95/823552195.db2.gz	QKHVXKIJAKVCFN-IBGZPJMESA-N	1	1	398.341	4.007	20	30		GIEDMO
C[C@@H](c1cccnc1)[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2	ZINC000411413255	823571440	/nfs/dbraw/zinc/57/14/40/823571440.db2.gz	CVIUZFHIRPHMHK-GJZGRUSLSA-N	1	1	382.533	4.161	20	30		GIEDMO
CSc1ccccc1OC[C@@H](O)C[N@H+](Cc1cccc(F)c1C#N)C(C)C	ZINC000411983953	823617840	/nfs/dbraw/zinc/61/78/40/823617840.db2.gz	MBFNABUGNJDZIB-KRWDZBQOSA-N	1	1	388.508	4.070	20	30		GIEDMO
CSc1ccccc1OC[C@@H](O)C[N@@H+](Cc1cccc(F)c1C#N)C(C)C	ZINC000411983953	823617844	/nfs/dbraw/zinc/61/78/44/823617844.db2.gz	MBFNABUGNJDZIB-KRWDZBQOSA-N	1	1	388.508	4.070	20	30		GIEDMO
CC(C)(C#N)c1ccc(C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1	ZINC000461427033	823634471	/nfs/dbraw/zinc/63/44/71/823634471.db2.gz	GCICCIFAAGASIM-FCHUYYIVSA-N	1	1	387.527	4.082	20	30		GIEDMO
N#Cc1ccsc1NC(=O)CC[N@H+](CCC(F)(F)F)Cc1ccccc1	ZINC000191242280	823662589	/nfs/dbraw/zinc/66/25/89/823662589.db2.gz	JEBGAILLDMBPIE-UHFFFAOYSA-N	1	1	381.423	4.403	20	30		GIEDMO
CC(C)(C)C(=O)N1CC[NH+](CCC(C#N)(c2ccccc2)c2ccccc2)CC1	ZINC000191398300	823680600	/nfs/dbraw/zinc/68/06/00/823680600.db2.gz	HXFXJWMLMBKKQR-UHFFFAOYSA-N	1	1	389.543	4.077	20	30		GIEDMO
Cn1cc(C[N@H+]2CC[C@H](C(F)(F)F)C(C)(C)C2)c(-c2ccc(C#N)cc2)n1	ZINC000191662885	823726915	/nfs/dbraw/zinc/72/69/15/823726915.db2.gz	WHIYQYUBBQTPFL-KRWDZBQOSA-N	1	1	376.426	4.369	20	30		GIEDMO
C[C@H](c1ccc(OC(F)(F)F)cc1)[NH+]1CCN(Cc2ccc(C#N)cc2)CC1	ZINC000064138222	823753352	/nfs/dbraw/zinc/75/33/52/823753352.db2.gz	DYMXSMFLJQECNM-MRXNPFEDSA-N	1	1	389.421	4.336	20	30		GIEDMO
C[N@@H+](CCN(Cc1ccccc1)C(=O)N[C@H]1CCC[C@@H]1C#N)Cc1ccccc1	ZINC000461946825	823768197	/nfs/dbraw/zinc/76/81/97/823768197.db2.gz	HWGGQMUEIZSQNB-PKTZIBPZSA-N	1	1	390.531	4.022	20	30		GIEDMO
CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)NC(=O)N1CCC(CCC#N)CC1	ZINC000574570124	823769611	/nfs/dbraw/zinc/76/96/11/823769611.db2.gz	GSJGHNFVXAKDAA-QFIPXVFZSA-N	1	1	396.579	4.185	20	30		GIEDMO
C[C@@H](NCc1cc(C#N)ccc1Br)[C@H]1CCC[N@H+](C2CCC2)C1	ZINC000191825107	823785641	/nfs/dbraw/zinc/78/56/41/823785641.db2.gz	ZWSGOAGSFINVCT-ZBFHGGJFSA-N	1	1	376.342	4.063	20	30		GIEDMO
N#Cc1ccc(Oc2cccc(NC(=O)c3cc(C[NH+]4CCCC4)on3)c2)cc1	ZINC000462041576	823808655	/nfs/dbraw/zinc/80/86/55/823808655.db2.gz	VNNXMUKOZBXNRG-UHFFFAOYSA-N	1	1	388.427	4.187	20	30		GIEDMO
COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H](C)c1ccccc1Cl	ZINC000126194541	823809778	/nfs/dbraw/zinc/80/97/78/823809778.db2.gz	QOJOQDNTIDPUEG-HOTGVXAUSA-N	1	1	385.895	4.335	20	30		GIEDMO
CCC[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1ccc(C#N)cc1	ZINC000164900191	823824665	/nfs/dbraw/zinc/82/46/65/823824665.db2.gz	FFJRUHALCKAHRM-UHFFFAOYSA-N	1	1	392.528	4.221	20	30		GIEDMO
N#Cc1ccc(-c2nnc(C[NH2+][C@H]3CCO[C@H]3c3ccc(Cl)c(F)c3)o2)cc1	ZINC000192085459	823855158	/nfs/dbraw/zinc/85/51/58/823855158.db2.gz	KIEHAQCHSUSEKU-HKUYNNGSSA-N	1	1	398.825	4.021	20	30		GIEDMO
C[C@@H](C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)c1cccc(C#N)c1	ZINC000462180554	823857391	/nfs/dbraw/zinc/85/73/91/823857391.db2.gz	MUAXICRNWNCWDE-NLFFAJNJSA-N	1	1	387.527	4.176	20	30		GIEDMO
C[C@H](C(=O)NCC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)c1cccc(C#N)c1	ZINC000462232561	823886044	/nfs/dbraw/zinc/88/60/44/823886044.db2.gz	MOJLRPHWVZDAKY-CNNODRBYSA-N	1	1	375.516	4.079	20	30		GIEDMO
C=CCOc1c(Br)cc(C[N@@H+]2CCC[C@@H](CO)[C@H]2C)cc1OCC	ZINC000414563509	824013632	/nfs/dbraw/zinc/01/36/32/824013632.db2.gz	CTYCWPZARDVWQR-ZBFHGGJFSA-N	1	1	398.341	4.005	20	30		GIEDMO
C=CCOc1c(Br)cc(C[N@H+]2CCC[C@@H](CO)[C@H]2C)cc1OCC	ZINC000414563509	824013635	/nfs/dbraw/zinc/01/36/35/824013635.db2.gz	CTYCWPZARDVWQR-ZBFHGGJFSA-N	1	1	398.341	4.005	20	30		GIEDMO
C=CCc1cc(C[N@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)cc(OC)c1O	ZINC000414562590	824013708	/nfs/dbraw/zinc/01/37/08/824013708.db2.gz	UAFJNXPBZRKWID-HSZRJFAPSA-N	1	1	379.500	4.483	20	30		GIEDMO
Cc1nc(C[N@H+]2CCCC23CCN(c2cc(C#N)cc(Cl)n2)CC3)cs1	ZINC001164691206	719802741	/nfs/dbraw/zinc/80/27/41/719802741.db2.gz	FTFBDDHGMLKAFZ-UHFFFAOYSA-N	1	1	387.940	4.007	20	30		GIEDMO
Cc1nc(C[N@H+]2CCCC23CCN(c2cc(Cl)ncc2C#N)CC3)cs1	ZINC001164691059	719804578	/nfs/dbraw/zinc/80/45/78/719804578.db2.gz	DLERKGDUUOWNST-UHFFFAOYSA-N	1	1	387.940	4.007	20	30		GIEDMO
Cc1cc(Cl)nc(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)c1C#N	ZINC001164993873	722192537	/nfs/dbraw/zinc/19/25/37/722192537.db2.gz	IGBGPUISXXOGFU-OAQYLSRUSA-N	1	1	384.886	4.299	20	30		GIEDMO
C[C@@H](c1ccc(NC(=O)N[C@H](CCC#N)c2ccccc2)cc1)[NH+]1CCOCC1	ZINC000120808878	823068732	/nfs/dbraw/zinc/06/87/32/823068732.db2.gz	DODNBWHTBGWJIX-PGRDOPGGSA-N	1	1	392.503	4.246	20	30		GIEDMO
C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)c1cccc(SCC#N)c1	ZINC000176001188	823092595	/nfs/dbraw/zinc/09/25/95/823092595.db2.gz	OJGIEFQSIYZXDM-GOSISDBHSA-N	1	1	379.529	4.039	20	30		GIEDMO
C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1ccc(OCc2cccnc2)cc1	ZINC000570882220	823101506	/nfs/dbraw/zinc/10/15/06/823101506.db2.gz	OLUBWGIVSOMLJX-UHFFFAOYSA-N	1	1	387.483	4.181	20	30		GIEDMO
C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1	ZINC000187666299	823109412	/nfs/dbraw/zinc/10/94/12/823109412.db2.gz	LNJIZCJTPSIXKI-FUHWJXTLSA-N	1	1	380.467	4.292	20	30		GIEDMO
CCCCOc1ccc(C[NH+]2CCC(C#N)(c3ccccn3)CC2)cc1OC	ZINC000570986114	823116023	/nfs/dbraw/zinc/11/60/23/823116023.db2.gz	FNYGHXRBQCQDCZ-UHFFFAOYSA-N	1	1	379.504	4.326	20	30		GIEDMO
C=C(C)[C@@H]([NH2+]Cc1ccc(S(=O)(=O)C(F)F)cc1)c1ccc(F)c(F)c1	ZINC000187769047	823129424	/nfs/dbraw/zinc/12/94/24/823129424.db2.gz	ILBRGOVXUNIJKO-QGZVFWFLSA-N	1	1	387.398	4.368	20	30		GIEDMO
C=CCn1c(-c2ccccc2OC)nn(C[N@H+]2C[C@@H]3CCCC[C@@H]3C2)c1=S	ZINC000176193176	823149621	/nfs/dbraw/zinc/14/96/21/823149621.db2.gz	FXBTUZNEGCSTFY-CALCHBBNSA-N	1	1	384.549	4.355	20	30		GIEDMO
C=CCn1c(-c2ccccc2OC)nn(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)c1=S	ZINC000176193176	823149624	/nfs/dbraw/zinc/14/96/24/823149624.db2.gz	FXBTUZNEGCSTFY-CALCHBBNSA-N	1	1	384.549	4.355	20	30		GIEDMO
Cc1oc(NC(=O)C[NH2+][C@H](c2ccccc2)c2ccc(F)cc2)c(C#N)c1C	ZINC000121309997	823160478	/nfs/dbraw/zinc/16/04/78/823160478.db2.gz	WFYUIQFILQYXAX-OAQYLSRUSA-N	1	1	377.419	4.225	20	30		GIEDMO
CCOc1ccc(C#N)cc1NC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1	ZINC000056802240	823216125	/nfs/dbraw/zinc/21/61/25/823216125.db2.gz	CVYVCDYTFNUSMQ-UHFFFAOYSA-N	1	1	392.503	4.005	20	30		GIEDMO
C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)C2(c3ccc(C#N)cc3)CC2)CC1	ZINC000188610553	823272579	/nfs/dbraw/zinc/27/25/79/823272579.db2.gz	ORVXRXXQSNBGSH-IBGZPJMESA-N	1	1	379.548	4.093	20	30		GIEDMO
N#CC1CCC(CNC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)CC1	ZINC000572202017	823299073	/nfs/dbraw/zinc/29/90/73/823299073.db2.gz	RHEVWFYTRLSBKY-JQRIJJRESA-N	1	1	394.563	4.012	20	30		GIEDMO
N#Cc1ccsc1NC(=O)CC[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1	ZINC000008261584	818025810	/nfs/dbraw/zinc/02/58/10/818025810.db2.gz	GUMZUPQBLXGXNX-HNNXBMFYSA-N	1	1	396.541	4.438	20	30		GIEDMO
COc1ccc(C[N@H+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)C2CC2)cc1	ZINC000015309516	818311919	/nfs/dbraw/zinc/31/19/19/818311919.db2.gz	OQDOFMJPULYMRE-UHFFFAOYSA-N	1	1	391.515	4.223	20	30		GIEDMO
COc1ccc(C[N@@H+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)C2CC2)cc1	ZINC000015309516	818311926	/nfs/dbraw/zinc/31/19/26/818311926.db2.gz	OQDOFMJPULYMRE-UHFFFAOYSA-N	1	1	391.515	4.223	20	30		GIEDMO
C=CCn1c(=S)n(C[N@@H+]2CCC[C@@H]2Cc2ccccc2)nc1-c1cccnc1	ZINC000122277856	823331596	/nfs/dbraw/zinc/33/15/96/823331596.db2.gz	RPJJVWKPNLDVMG-HXUWFJFHSA-N	1	1	391.544	4.327	20	30		GIEDMO
C=CCn1c(=S)n(C[N@H+]2CCC[C@@H]2Cc2ccccc2)nc1-c1cccnc1	ZINC000122277856	823331601	/nfs/dbraw/zinc/33/16/01/823331601.db2.gz	RPJJVWKPNLDVMG-HXUWFJFHSA-N	1	1	391.544	4.327	20	30		GIEDMO
C=CCCCCCNC(=O)NC1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1	ZINC000572613476	823369216	/nfs/dbraw/zinc/36/92/16/823369216.db2.gz	DBRFTJJIESUJNK-UHFFFAOYSA-N	1	1	396.535	4.352	20	30		GIEDMO
C=C(C)Cn1c(-c2cccc(C(F)(F)F)c2)nnc1N1CCC[N@H+](CC)CC1	ZINC000460396271	823375605	/nfs/dbraw/zinc/37/56/05/823375605.db2.gz	XPYYJWOWMBLDBM-UHFFFAOYSA-N	1	1	393.457	4.072	20	30		GIEDMO
C[C@@H](c1ncc(-c2ccccc2)o1)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000122633635	823384881	/nfs/dbraw/zinc/38/48/81/823384881.db2.gz	VMOBQDKTYMEHAH-IBGZPJMESA-N	1	1	386.499	4.482	20	30		GIEDMO
C[C@@H](c1ncc(-c2ccccc2)o1)[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1	ZINC000122633635	823384897	/nfs/dbraw/zinc/38/48/97/823384897.db2.gz	VMOBQDKTYMEHAH-IBGZPJMESA-N	1	1	386.499	4.482	20	30		GIEDMO
C[C@@H](c1ncc(-c2ccccc2)o1)[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1	ZINC000122633635	823384904	/nfs/dbraw/zinc/38/49/04/823384904.db2.gz	VMOBQDKTYMEHAH-IBGZPJMESA-N	1	1	386.499	4.482	20	30		GIEDMO
C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)Cc1ccc(F)cc1F	ZINC000024959562	819900404	/nfs/dbraw/zinc/90/04/04/819900404.db2.gz	NAHMBADVPNEWCO-UHFFFAOYSA-N	1	1	389.471	4.237	20	30		GIEDMO
C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@H+](C)Cc1cccc(C#N)c1	ZINC000026324780	820083760	/nfs/dbraw/zinc/08/37/60/820083760.db2.gz	ZGAZLFSEFMAFKV-IBGZPJMESA-N	1	1	383.495	4.284	20	30		GIEDMO
C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@@H+](C)Cc1cccc(C#N)c1	ZINC000026324780	820083776	/nfs/dbraw/zinc/08/37/76/820083776.db2.gz	ZGAZLFSEFMAFKV-IBGZPJMESA-N	1	1	383.495	4.284	20	30		GIEDMO
Cc1oc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccc(C(F)(F)F)cc2)c(C#N)c1C	ZINC000026335817	820085407	/nfs/dbraw/zinc/08/54/07/820085407.db2.gz	NALGWGJSSGKIEE-GFCCVEGCSA-N	1	1	379.382	4.246	20	30		GIEDMO
Cc1oc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)c(C#N)c1C	ZINC000026335817	820085412	/nfs/dbraw/zinc/08/54/12/820085412.db2.gz	NALGWGJSSGKIEE-GFCCVEGCSA-N	1	1	379.382	4.246	20	30		GIEDMO
COc1ccccc1[C@H](CNC(=O)c1ccccc1-c1ccccc1C#N)[NH+](C)C	ZINC000027569579	820260826	/nfs/dbraw/zinc/26/08/26/820260826.db2.gz	KQUJSCOMFDMNII-QHCPKHFHSA-N	1	1	399.494	4.267	20	30		GIEDMO
C=CCN1CC[C@H]([N@H+](CC)[C@@H]2CCSc3ccc(Br)cc32)C1=O	ZINC000410349546	823469927	/nfs/dbraw/zinc/46/99/27/823469927.db2.gz	QFOOSHQTBKEGKO-CVEARBPZSA-N	1	1	395.366	4.095	20	30		GIEDMO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3occc3-c3ccccc3)CC2)cc1	ZINC000029985970	820561460	/nfs/dbraw/zinc/56/14/60/820561460.db2.gz	MMQUHXRASUODPT-UHFFFAOYSA-N	1	1	385.467	4.166	20	30		GIEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3occc3-c3ccccc3)CC2)cc1	ZINC000029985970	820561467	/nfs/dbraw/zinc/56/14/67/820561467.db2.gz	MMQUHXRASUODPT-UHFFFAOYSA-N	1	1	385.467	4.166	20	30		GIEDMO
C=CCOc1c(Br)cc(C[NH2+][C@@H](COC)c2ccco2)cc1OC	ZINC000177577306	823495127	/nfs/dbraw/zinc/49/51/27/823495127.db2.gz	AGXCWZFPPAFVOS-HNNXBMFYSA-N	1	1	396.281	4.093	20	30		GIEDMO
Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+]([C@@H](C)C2CC2)C2CC2)c1C#N	ZINC000031655185	820839652	/nfs/dbraw/zinc/83/96/52/820839652.db2.gz	OOARXILZYDXWRC-SFHVURJKSA-N	1	1	390.531	4.226	20	30		GIEDMO
C=CCOc1ccc(CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C(C)(C)C)cc1	ZINC000410734917	823511356	/nfs/dbraw/zinc/51/13/56/823511356.db2.gz	WCLMEYNPTDZOQC-UHFFFAOYSA-N	1	1	390.487	4.273	20	30		GIEDMO
C#CCOc1ccc(CNc2ccc(C)c(NC(=O)C[NH+]3CCCCC3)c2)cc1	ZINC000123524754	823517450	/nfs/dbraw/zinc/51/74/50/823517450.db2.gz	RKPJXDZLVLZPKP-UHFFFAOYSA-N	1	1	391.515	4.044	20	30		GIEDMO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3cc(Cl)ccc3Cl)CC2)cc1	ZINC000037143004	821090326	/nfs/dbraw/zinc/09/03/26/821090326.db2.gz	BVJLVOMSSGNXBM-UHFFFAOYSA-N	1	1	388.298	4.213	20	30		GIEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cc(Cl)ccc3Cl)CC2)cc1	ZINC000037143004	821090331	/nfs/dbraw/zinc/09/03/31/821090331.db2.gz	BVJLVOMSSGNXBM-UHFFFAOYSA-N	1	1	388.298	4.213	20	30		GIEDMO
CCOc1cc(C[N@@H+](C)CCOc2ccccc2C#N)ccc1OC(F)F	ZINC000060468126	823531484	/nfs/dbraw/zinc/53/14/84/823531484.db2.gz	VPRJJAHJSIZRJM-UHFFFAOYSA-N	1	1	376.403	4.069	20	30		GIEDMO
Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)Cn2cc[nH+]c2C(C)C)c1C#N	ZINC000123690971	823532076	/nfs/dbraw/zinc/53/20/76/823532076.db2.gz	MGNADSSFCHHSMF-UHFFFAOYSA-N	1	1	379.439	4.064	20	30		GIEDMO
COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+](C)Cc1cccc(Cl)c1	ZINC000042332438	821301442	/nfs/dbraw/zinc/30/14/42/821301442.db2.gz	RUPOAOQLSFQSDS-MRXNPFEDSA-N	1	1	385.895	4.116	20	30		GIEDMO
COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+](C)Cc1cccc(Cl)c1	ZINC000042332438	821301446	/nfs/dbraw/zinc/30/14/46/821301446.db2.gz	RUPOAOQLSFQSDS-MRXNPFEDSA-N	1	1	385.895	4.116	20	30		GIEDMO
CC(C)n1cnnc1[C@H]1CCC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1	ZINC000180635395	821377136	/nfs/dbraw/zinc/37/71/36/821377136.db2.gz	DMCKUDNGVSXAJC-KRWDZBQOSA-N	1	1	376.426	4.109	20	30		GIEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Nc3cccc4c3CCCC4)CC2)cc1	ZINC000043316655	821391348	/nfs/dbraw/zinc/39/13/48/821391348.db2.gz	OQKYNHOWVSXZPO-UHFFFAOYSA-N	1	1	388.515	4.177	20	30		GIEDMO
CC(C)[N@@H+]1CC[C@@H](NC(=O)C2(C#N)CCCC2)[C@@H]1c1ccc(Cl)c(F)c1	ZINC000180754294	821436089	/nfs/dbraw/zinc/43/60/89/821436089.db2.gz	QDRLEUAKNNPSOU-MSOLQXFVSA-N	1	1	377.891	4.203	20	30		GIEDMO
CC(C)[N@H+]1CC[C@@H](NC(=O)C2(C#N)CCCC2)[C@@H]1c1ccc(Cl)c(F)c1	ZINC000180754294	821436095	/nfs/dbraw/zinc/43/60/95/821436095.db2.gz	QDRLEUAKNNPSOU-MSOLQXFVSA-N	1	1	377.891	4.203	20	30		GIEDMO
C[C@H](C#N)Oc1ccc(C[N@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)cc1	ZINC000180800445	821465416	/nfs/dbraw/zinc/46/54/16/821465416.db2.gz	MAFKYHYLYGTNTF-ZBFHGGJFSA-N	1	1	378.398	4.030	20	30		GIEDMO
Cc1ccc2[nH]c([C@H]3CCC[N@@H+](CCC(=O)Nc4sccc4C#N)C3)nc2c1	ZINC000181147339	821663461	/nfs/dbraw/zinc/66/34/61/821663461.db2.gz	UTVLWRDPKFCARQ-INIZCTEOSA-N	1	1	393.516	4.013	20	30		GIEDMO
Cc1ccc2nc([C@H]3CCC[N@H+](CCC(=O)Nc4sccc4C#N)C3)[nH]c2c1	ZINC000181147339	821663467	/nfs/dbraw/zinc/66/34/67/821663467.db2.gz	UTVLWRDPKFCARQ-INIZCTEOSA-N	1	1	393.516	4.013	20	30		GIEDMO
Cc1ccc2nc([C@H]3CCC[N@@H+](CCC(=O)Nc4sccc4C#N)C3)[nH]c2c1	ZINC000181147339	821663473	/nfs/dbraw/zinc/66/34/73/821663473.db2.gz	UTVLWRDPKFCARQ-INIZCTEOSA-N	1	1	393.516	4.013	20	30		GIEDMO
C=CCOc1ccc(/C=C/C(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1OC	ZINC000181534942	821871459	/nfs/dbraw/zinc/87/14/59/821871459.db2.gz	UXGSVRFCNBGKHK-FLMNEEFCSA-N	1	1	398.547	4.042	20	30		GIEDMO
N#Cc1ccccc1Oc1ccccc1C(=O)N1CCC[N@H+](C2CCCC2)CC1	ZINC000181978345	822051371	/nfs/dbraw/zinc/05/13/71/822051371.db2.gz	IYXCFCGXWFRFLE-UHFFFAOYSA-N	1	1	389.499	4.441	20	30		GIEDMO
Cc1ccc(C#N)cc1NC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1	ZINC000178242101	822357781	/nfs/dbraw/zinc/35/77/81/822357781.db2.gz	ICPWNHYJNXXUIJ-FYYLOGMGSA-N	1	1	388.515	4.385	20	30		GIEDMO
Cc1c(C#N)cccc1NC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1	ZINC000178558175	822391860	/nfs/dbraw/zinc/39/18/60/822391860.db2.gz	BWHHSULNWOPORW-DYESRHJHSA-N	1	1	376.504	4.384	20	30		GIEDMO
N#CCCn1cc(C[N@@H+]2CC[C@@H](Oc3cccc(F)c3)C2)c(-c2ccccc2)n1	ZINC000183210444	822442164	/nfs/dbraw/zinc/44/21/64/822442164.db2.gz	SAAZGNLNICVENE-JOCHJYFZSA-N	1	1	390.462	4.256	20	30		GIEDMO
C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@H+](C)Cc1ccc(C#N)cc1	ZINC000046526624	822481057	/nfs/dbraw/zinc/48/10/57/822481057.db2.gz	IPUJNOILLNNXMN-IBGZPJMESA-N	1	1	383.495	4.284	20	30		GIEDMO
C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@@H+](C)Cc1ccc(C#N)cc1	ZINC000046526624	822481059	/nfs/dbraw/zinc/48/10/59/822481059.db2.gz	IPUJNOILLNNXMN-IBGZPJMESA-N	1	1	383.495	4.284	20	30		GIEDMO
C[N@@H+](CCC(=O)NC(c1ccccc1)c1ccccc1)Cc1ccc(C#N)cc1	ZINC000046529243	822481944	/nfs/dbraw/zinc/48/19/44/822481944.db2.gz	WJKGLRJFROPZAR-UHFFFAOYSA-N	1	1	383.495	4.286	20	30		GIEDMO
Cc1cc([C@@H](C)NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c(C)s1	ZINC000046601459	822490791	/nfs/dbraw/zinc/49/07/91/822490791.db2.gz	VWMWCNIVIJPSLQ-QGZVFWFLSA-N	1	1	396.560	4.215	20	30		GIEDMO
Cc1csc([C@@H]([NH2+]CC(=O)N(CCC#N)c2cccc(C)c2C)C2CC2)n1	ZINC000183532613	822490882	/nfs/dbraw/zinc/49/08/82/822490882.db2.gz	YEDFQFBWFKMXPT-FQEVSTJZSA-N	1	1	382.533	4.056	20	30		GIEDMO
N#CC1(c2ccc(C(=O)N3CCC[N@@H+](Cc4ccc(Cl)cc4)CC3)cc2)CC1	ZINC000179781610	822551754	/nfs/dbraw/zinc/55/17/54/822551754.db2.gz	QPEYMKXGXMMNPX-UHFFFAOYSA-N	1	1	393.918	4.243	20	30		GIEDMO
N#CC1(c2ccc(C(=O)N3CCC[N@H+](Cc4ccc(Cl)cc4)CC3)cc2)CC1	ZINC000179781610	822551755	/nfs/dbraw/zinc/55/17/55/822551755.db2.gz	QPEYMKXGXMMNPX-UHFFFAOYSA-N	1	1	393.918	4.243	20	30		GIEDMO
C[N@@H+](CCCCNC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)C1CC1	ZINC000454904032	822554003	/nfs/dbraw/zinc/55/40/03/822554003.db2.gz	YYDPYMGIJLABGX-UHFFFAOYSA-N	1	1	396.466	4.486	20	30		GIEDMO
C[C@H](C#N)Oc1ccccc1NC(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1	ZINC000184020207	822565352	/nfs/dbraw/zinc/56/53/52/822565352.db2.gz	OYCFDGKCNOREQP-IAGOWNOFSA-N	1	1	394.475	4.015	20	30		GIEDMO
COc1ccc(F)cc1[C@@H](C)[NH2+]CC(=O)N(CCC#N)c1ccc(C)c(C)c1	ZINC000179916845	822576653	/nfs/dbraw/zinc/57/66/53/822576653.db2.gz	YYYMKUANCDWIID-QGZVFWFLSA-N	1	1	383.467	4.049	20	30		GIEDMO
C[C@@H](C#N)Oc1ccccc1NC(=O)N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1	ZINC000180016345	822597086	/nfs/dbraw/zinc/59/70/86/822597086.db2.gz	SJGLTESNKGWYRN-AZUAARDMSA-N	1	1	392.503	4.106	20	30		GIEDMO
C[C@H]([NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1)c1nnc2ccccn21	ZINC000047699770	822600785	/nfs/dbraw/zinc/60/07/85/822600785.db2.gz	WOXYSKGPJWPMLC-KRWDZBQOSA-N	1	1	383.455	4.031	20	30		GIEDMO
C[C@H](C#N)Oc1ccccc1NC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1	ZINC000180038834	822602420	/nfs/dbraw/zinc/60/24/20/822602420.db2.gz	YREYIWWVYFGYDD-IAGOWNOFSA-N	1	1	398.532	4.073	20	30		GIEDMO
C=CCC[C@H]([NH2+]Cc1nnnn1-c1ccc(OC(F)F)cc1)c1ccccc1	ZINC000180050118	822604382	/nfs/dbraw/zinc/60/43/82/822604382.db2.gz	XSMLWCCHORCOQL-SFHVURJKSA-N	1	1	385.418	4.061	20	30		GIEDMO
CCC[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccc(C#N)cc1	ZINC000047740799	822605472	/nfs/dbraw/zinc/60/54/72/822605472.db2.gz	NIAKYHRNZFTNMJ-UHFFFAOYSA-N	1	1	375.394	4.428	20	30		GIEDMO
CCC[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccc(C#N)cc1	ZINC000047740799	822605475	/nfs/dbraw/zinc/60/54/75/822605475.db2.gz	NIAKYHRNZFTNMJ-UHFFFAOYSA-N	1	1	375.394	4.428	20	30		GIEDMO
COCCOc1ccc(C#N)cc1N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1	ZINC000184487395	822644337	/nfs/dbraw/zinc/64/43/37/822644337.db2.gz	RQYIOGLIUMRQBV-MRXNPFEDSA-N	1	1	376.460	4.251	20	30		GIEDMO
Cn1cc(C[N@H+]2CC[C@H](Oc3ccccc3Cl)C2)c(-c2ccc(C#N)cc2)n1	ZINC000180241230	822646625	/nfs/dbraw/zinc/64/66/25/822646625.db2.gz	FRUOSJVHRXQGEF-IBGZPJMESA-N	1	1	392.890	4.265	20	30		GIEDMO
C[C@@H]([NH2+]CC(=O)N(CCC#N)c1ccccc1)c1nc(-c2ccccc2)cs1	ZINC000184527919	822651488	/nfs/dbraw/zinc/65/14/88/822651488.db2.gz	SIJBVTOJRVDROX-QGZVFWFLSA-N	1	1	390.512	4.408	20	30		GIEDMO
C=C(C)COc1cc(C[NH2+][C@H](COC)c2ccc(F)c(F)c2)ccc1OC	ZINC000180363581	822670697	/nfs/dbraw/zinc/67/06/97/822670697.db2.gz	ZOEXXLHXDSCITJ-LJQANCHMSA-N	1	1	377.431	4.406	20	30		GIEDMO
N#Cc1ccc2ncc(C[N@@H+]3CCCCC[C@H]3C[C@@H](O)c3cccs3)n2c1	ZINC000180508772	822693463	/nfs/dbraw/zinc/69/34/63/822693463.db2.gz	PYPXNQOKDISVTA-PKOBYXMFSA-N	1	1	380.517	4.136	20	30		GIEDMO
Cc1oc(NC(=O)C[NH2+][C@@H](CC(F)(F)F)c2ccc(F)cc2)c(C#N)c1C	ZINC000180559883	822702439	/nfs/dbraw/zinc/70/24/39/822702439.db2.gz	OOFCRIRMRZPTEM-HNNXBMFYSA-N	1	1	383.345	4.129	20	30		GIEDMO
C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C3(C#N)CC3)cc2)[C@@H]1c1ccc(Cl)cc1	ZINC000180567845	822703725	/nfs/dbraw/zinc/70/37/25/822703725.db2.gz	MKGBYRHWDCDQBV-UXHICEINSA-N	1	1	379.891	4.070	20	30		GIEDMO
C[N@H+]1CC[C@@H](NC(=O)c2ccc(C3(C#N)CC3)cc2)[C@@H]1c1ccc(Cl)cc1	ZINC000180567845	822703727	/nfs/dbraw/zinc/70/37/27/822703727.db2.gz	MKGBYRHWDCDQBV-UXHICEINSA-N	1	1	379.891	4.070	20	30		GIEDMO
C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)Nc1ccc(CC#N)cc1Cl	ZINC000455724522	822714262	/nfs/dbraw/zinc/71/42/62/822714262.db2.gz	CDUDFJJHTNALGI-QRWLVFNGSA-N	1	1	382.895	4.048	20	30		GIEDMO
Cc1sc([C@@H](C)[NH2+][C@@H](C)C(=O)N(C)CCC#N)nc1-c1ccc(Cl)cc1	ZINC000184951595	822717706	/nfs/dbraw/zinc/71/77/06/822717706.db2.gz	LENQZDBMILUZRF-OLZOCXBDSA-N	1	1	390.940	4.183	20	30		GIEDMO
CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(C)(C)Cc1ccc(C#N)cc1	ZINC000455834296	822733784	/nfs/dbraw/zinc/73/37/84/822733784.db2.gz	BAIAEYLRFPUFQY-HSZRJFAPSA-N	1	1	389.543	4.107	20	30		GIEDMO
CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)Nc1cccc(CC#N)c1	ZINC000455912335	822747897	/nfs/dbraw/zinc/74/78/97/822747897.db2.gz	XJBZQZCZTHSLBR-OAQYLSRUSA-N	1	1	376.504	4.175	20	30		GIEDMO
N#Cc1ccccc1Sc1ccc(NC(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1	ZINC000455944101	822755087	/nfs/dbraw/zinc/75/50/87/822755087.db2.gz	MJSHNLMRJDTHCR-RBUKOAKNSA-N	1	1	392.528	4.458	20	30		GIEDMO
C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC=C(c2c[nH]c3cc(F)ccc32)CC1	ZINC000052823638	822812315	/nfs/dbraw/zinc/81/23/15/822812315.db2.gz	WCTSICTVLUQJCN-INIZCTEOSA-N	1	1	394.494	4.127	20	30		GIEDMO
C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC=C(c2c[nH]c3cc(F)ccc32)CC1	ZINC000052823638	822812317	/nfs/dbraw/zinc/81/23/17/822812317.db2.gz	WCTSICTVLUQJCN-INIZCTEOSA-N	1	1	394.494	4.127	20	30		GIEDMO
C=CCSc1ccccc1NC(=O)CN[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1	ZINC000185720466	822814144	/nfs/dbraw/zinc/81/41/44/822814144.db2.gz	GTZBUOFMEKBQOA-QZTJIDSGSA-N	1	1	387.593	4.146	20	30		GIEDMO
C=CCSc1ccccc1NC(=O)CN[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1	ZINC000185720506	822814250	/nfs/dbraw/zinc/81/42/50/822814250.db2.gz	GTZBUOFMEKBQOA-MSOLQXFVSA-N	1	1	387.593	4.146	20	30		GIEDMO
CC[N@H+](Cc1csc(-c2ccc(C(N)=O)cc2)n1)[C@@H](C)c1ccc(C#N)cc1	ZINC000053610304	822842595	/nfs/dbraw/zinc/84/25/95/822842595.db2.gz	MPMVKKNWXGFZDC-HNNXBMFYSA-N	1	1	390.512	4.364	20	30		GIEDMO
CC[N@@H+](Cc1csc(-c2ccc(C(N)=O)cc2)n1)[C@@H](C)c1ccc(C#N)cc1	ZINC000053610304	822842597	/nfs/dbraw/zinc/84/25/97/822842597.db2.gz	MPMVKKNWXGFZDC-HNNXBMFYSA-N	1	1	390.512	4.364	20	30		GIEDMO
N#Cc1c2c(sc1NC(=O)CC[N@@H+](Cc1cccnc1)C1CC1)CCCCC2	ZINC000174973558	822863034	/nfs/dbraw/zinc/86/30/34/822863034.db2.gz	QEFUHIMIIXIFMK-UHFFFAOYSA-N	1	1	394.544	4.277	20	30		GIEDMO
Cc1csc(C2([NH2+]CC(=O)N(CCC#N)c3cc(C)cc(C)c3)CCCC2)n1	ZINC000175017156	822867817	/nfs/dbraw/zinc/86/78/17/822867817.db2.gz	NOIGCMWWHKCQFI-UHFFFAOYSA-N	1	1	396.560	4.374	20	30		GIEDMO
C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NCc1cc(C#N)ccc1F	ZINC000175121404	822886479	/nfs/dbraw/zinc/88/64/79/822886479.db2.gz	KYWSIYHZOSWBGC-QGZVFWFLSA-N	1	1	394.494	4.071	20	30		GIEDMO
CSCC[C@H](C)[N@@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1	ZINC000569273427	822899647	/nfs/dbraw/zinc/89/96/47/822899647.db2.gz	UEIVILOTIKNFPV-HNNXBMFYSA-N	1	1	390.597	4.494	20	30		GIEDMO
C[N@H+]1CCC[C@@H](CCNC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)C1	ZINC000458168072	822964553	/nfs/dbraw/zinc/96/45/53/822964553.db2.gz	NKZJPMLKTQXNNO-IBGZPJMESA-N	1	1	377.488	4.007	20	30		GIEDMO
C=CCN(Cc1cccs1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1	ZINC000175641015	823011442	/nfs/dbraw/zinc/01/14/42/823011442.db2.gz	LHWMLSHIJMMSJT-QUCCMNQESA-N	1	1	383.561	4.499	20	30		GIEDMO
C[C@@H]1C[C@H](N(C)C(=O)c2ccccc2Sc2ccccc2C#N)CC[N@H+]1C	ZINC000123950570	823554489	/nfs/dbraw/zinc/55/44/89/823554489.db2.gz	DYMIPJGTSAVGSA-SJLPKXTDSA-N	1	1	379.529	4.264	20	30		GIEDMO
CCO[C@H](C)c1nc(CN2CC[NH+](CCC3(C#N)CCCCC3)CC2)cs1	ZINC000411291110	823562610	/nfs/dbraw/zinc/56/26/10/823562610.db2.gz	INCCVPSTHFSPHD-GOSISDBHSA-N	1	1	390.597	4.222	20	30		GIEDMO
Cc1ccc([C@H]([NH2+]CC#Cc2ccccc2)c2cccc(S(C)(=O)=O)c2)cc1	ZINC000190381841	823568017	/nfs/dbraw/zinc/56/80/17/823568017.db2.gz	ITHUELCYSBZUGO-DEOSSOPVSA-N	1	1	389.520	4.129	20	30		GIEDMO
CCOc1ccc(Cl)cc1[C@H](C)[NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000190608019	823591079	/nfs/dbraw/zinc/59/10/79/823591079.db2.gz	IHSKQERKZJUWFC-MGPUTAFESA-N	1	1	397.906	4.062	20	30		GIEDMO
COCC[N@@H+](Cc1cn(C)nc1-c1ccccc1Cl)Cc1ccc(C#N)cc1	ZINC000124401707	823593626	/nfs/dbraw/zinc/59/36/26/823593626.db2.gz	SRBFMTJOMWXPJU-UHFFFAOYSA-N	1	1	394.906	4.261	20	30		GIEDMO
CSc1ccccc1OC[C@@H](O)C[N@@H+](Cc1ccc(C#N)cc1F)C(C)C	ZINC000411988203	823618362	/nfs/dbraw/zinc/61/83/62/823618362.db2.gz	RTOJTUOOXNXKQR-SFHVURJKSA-N	1	1	388.508	4.070	20	30		GIEDMO
CSc1ccccc1OC[C@H](O)C[N@@H+](Cc1ccc(CC#N)cc1)C(C)C	ZINC000411987706	823618395	/nfs/dbraw/zinc/61/83/95/823618395.db2.gz	RCSNYYFZAXAMBQ-HXUWFJFHSA-N	1	1	384.545	4.125	20	30		GIEDMO
C[C@H]1C[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CC[N@H+]1Cc1ccccc1	ZINC000412134387	823629020	/nfs/dbraw/zinc/62/90/20/823629020.db2.gz	SZTCCOHXWUYLEU-ZQAWKMMESA-N	1	1	387.527	4.173	20	30		GIEDMO
N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c1	ZINC000412194745	823634527	/nfs/dbraw/zinc/63/45/27/823634527.db2.gz	ONLXPPUPKFWUPG-JBXUNAHCSA-N	1	1	399.538	4.175	20	30		GIEDMO
Cc1cc(F)cc2c1ncc(C#N)c2N1CCC[N@@H+](Cc2ccc(F)cc2)CC1	ZINC000461459591	823642103	/nfs/dbraw/zinc/64/21/03/823642103.db2.gz	CFATYSARZWMKAK-UHFFFAOYSA-N	1	1	392.453	4.405	20	30		GIEDMO
C=CC[N@H+](CCC(=O)Nc1cc(Cl)ccc1OC)Cc1cccc(C#N)c1	ZINC000063300295	823660868	/nfs/dbraw/zinc/66/08/68/823660868.db2.gz	ABQRRXKHYQFHRN-UHFFFAOYSA-N	1	1	383.879	4.237	20	30		GIEDMO
N#Cc1ccccc1NC(=O)CC[N@H+](Cc1cccc(Br)c1)C1CC1	ZINC000063496220	823676108	/nfs/dbraw/zinc/67/61/08/823676108.db2.gz	NRBHDWNMXVICRU-UHFFFAOYSA-N	1	1	398.304	4.314	20	30		GIEDMO
CC(C)[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1ccc(C#N)cc1	ZINC000063750803	823693436	/nfs/dbraw/zinc/69/34/36/823693436.db2.gz	QGXZGPIKNTZUMY-UHFFFAOYSA-N	1	1	392.528	4.219	20	30		GIEDMO
Cc1nc(NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)c(Cl)cc1C#N	ZINC000461783299	823694855	/nfs/dbraw/zinc/69/48/55/823694855.db2.gz	HQHSRZZTZMCVER-UHFFFAOYSA-N	1	1	376.838	4.270	20	30		GIEDMO
C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1cc(C#N)ccc1Br	ZINC000191774528	823763272	/nfs/dbraw/zinc/76/32/72/823763272.db2.gz	XOMGFZBCLHJRBT-CQSZACIVSA-N	1	1	396.292	4.094	20	30		GIEDMO
C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)Cc1cc(C#N)ccc1Br	ZINC000191774528	823763277	/nfs/dbraw/zinc/76/32/77/823763277.db2.gz	XOMGFZBCLHJRBT-CQSZACIVSA-N	1	1	396.292	4.094	20	30		GIEDMO
C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1cc(C#N)ccc1Br	ZINC000191774512	823763577	/nfs/dbraw/zinc/76/35/77/823763577.db2.gz	XOMGFZBCLHJRBT-AWEZNQCLSA-N	1	1	396.292	4.094	20	30		GIEDMO
C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)Cc1cc(C#N)ccc1Br	ZINC000191774512	823763585	/nfs/dbraw/zinc/76/35/85/823763585.db2.gz	XOMGFZBCLHJRBT-AWEZNQCLSA-N	1	1	396.292	4.094	20	30		GIEDMO
C[N@@H+](CCN(Cc1ccccc1)C(=O)N[C@@H]1CCC[C@H]1C#N)Cc1ccccc1	ZINC000461946826	823768163	/nfs/dbraw/zinc/76/81/63/823768163.db2.gz	HWGGQMUEIZSQNB-XZOQPEGZSA-N	1	1	390.531	4.022	20	30		GIEDMO
N#CCCC1CC[NH+](CC(=O)N2N=C(c3cccs3)C[C@H]2c2ccco2)CC1	ZINC000574633839	823786796	/nfs/dbraw/zinc/78/67/96/823786796.db2.gz	CJQGHJFDMJYITR-SFHVURJKSA-N	1	1	396.516	4.035	20	30		GIEDMO
N#Cc1ccc(-c2nnc(C[NH2+][C@@H]3CCO[C@@H]3c3ccc(Cl)c(F)c3)o2)cc1	ZINC000192085441	823855295	/nfs/dbraw/zinc/85/52/95/823855295.db2.gz	KIEHAQCHSUSEKU-IEBWSBKVSA-N	1	1	398.825	4.021	20	30		GIEDMO
Cc1csc(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)c1C#N	ZINC000575834280	824007049	/nfs/dbraw/zinc/00/70/49/824007049.db2.gz	JTJKINSHQNWZQM-MRXNPFEDSA-N	1	1	375.444	4.024	20	30		GIEDMO
C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)Cc1ccc(C)cc1-c1cnn(C)c1	ZINC000576006211	824048245	/nfs/dbraw/zinc/04/82/45/824048245.db2.gz	UQNKCWUYQUYSKN-UHFFFAOYSA-N	1	1	376.460	4.492	20	30		GIEDMO
C[C@H](c1ccc(C#N)cc1)[N@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3cccnc3)no2)C1	ZINC000328607530	209147283	/nfs/dbraw/zinc/14/72/83/209147283.db2.gz	WFTHDAWEHNOGSM-AYPBNUJASA-N	1	1	385.471	4.118	20	30		GIEDMO
N#Cc1nc(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c(Cl)cc1Cl	ZINC001164623337	719108291	/nfs/dbraw/zinc/10/82/91/719108291.db2.gz	CMLJLMRSZFIYQS-HNAYVOBHSA-N	1	1	387.314	4.361	20	30		GIEDMO
C[C@H]1C[N@H+](C)[C@@H](C)CN1C(F)(F)c1ccc2nc(Cl)c(C#N)c(Cl)c2c1	ZINC001164637867	719258770	/nfs/dbraw/zinc/25/87/70/719258770.db2.gz	WSKLTZSMBWVRAQ-QWRGUYRKSA-N	1	1	399.272	4.487	20	30		GIEDMO
C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(F)(F)c1ccc2nc(Cl)c(C#N)c(Cl)c2c1	ZINC001164637867	719258771	/nfs/dbraw/zinc/25/87/71/719258771.db2.gz	WSKLTZSMBWVRAQ-QWRGUYRKSA-N	1	1	399.272	4.487	20	30		GIEDMO
Cc1nc(C[N@@H+]2CCCC23CCN(c2nc(C(C)C)ccc2C#N)CC3)cs1	ZINC001164693988	719804387	/nfs/dbraw/zinc/80/43/87/719804387.db2.gz	WPJNRPFQXZSDAY-UHFFFAOYSA-N	1	1	395.576	4.477	20	30		GIEDMO
N#Cc1c(Cl)nc2cccc(Cl)c2c1N1CC2(C1)CC[N@@H+](CC1CC1)C2	ZINC001164775504	721303935	/nfs/dbraw/zinc/30/39/35/721303935.db2.gz	YBBQUFAVMIWNKG-UHFFFAOYSA-N	1	1	387.314	4.335	20	30		GIEDMO
CCN(CCC#N)c1nc(C[NH+]2CCCC2)nc2sc3c(c21)CC[C@@H](C)C3	ZINC001165047939	721987509	/nfs/dbraw/zinc/98/75/09/721987509.db2.gz	GAONCEZRGKGKEH-OAHLLOKOSA-N	1	1	383.565	4.152	20	30		GIEDMO
CC(C)c1ccc(C#N)c(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)n1	ZINC001164994276	722193843	/nfs/dbraw/zinc/19/38/43/722193843.db2.gz	MOIXQXQPVMRMIX-HSZRJFAPSA-N	1	1	378.495	4.461	20	30		GIEDMO
Cc1nc(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)c(Cl)cc1C#N	ZINC001164995792	722212713	/nfs/dbraw/zinc/21/27/13/722212713.db2.gz	KQTZTZUAPDIVEV-NRFANRHFSA-N	1	1	384.886	4.299	20	30		GIEDMO
Cc1nc(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)c(Cl)cc1C#N	ZINC001164995792	722212720	/nfs/dbraw/zinc/21/27/20/722212720.db2.gz	KQTZTZUAPDIVEV-NRFANRHFSA-N	1	1	384.886	4.299	20	30		GIEDMO
N#CCCC[C@@H](NC(=O)N1CC[NH+](CCc2cccs2)CC1)c1ccccc1	ZINC000458795819	823086585	/nfs/dbraw/zinc/08/65/85/823086585.db2.gz	CZHATFUGVFLYCY-OAQYLSRUSA-N	1	1	396.560	4.053	20	30		GIEDMO
C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)N[C@@H](CCCC#N)c1ccccc1	ZINC000458799725	823087520	/nfs/dbraw/zinc/08/75/20/823087520.db2.gz	JZFUKXIXRSRLGE-REWPJTCUSA-N	1	1	390.531	4.337	20	30		GIEDMO
C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)N[C@@H](CCCC#N)c1ccccc1	ZINC000458799725	823087527	/nfs/dbraw/zinc/08/75/27/823087527.db2.gz	JZFUKXIXRSRLGE-REWPJTCUSA-N	1	1	390.531	4.337	20	30		GIEDMO
CC[C@H](C#N)Oc1cc(C[NH2+]Cc2c[nH]c(-c3ccccc3)n2)ccc1OC	ZINC000175994824	823091162	/nfs/dbraw/zinc/09/11/62/823091162.db2.gz	BDJHFNHPPBLBQW-LJQANCHMSA-N	1	1	376.460	4.056	20	30		GIEDMO
C[N@H+]1CCC[C@H](CNC(=O)c2cccc(SCC#N)c2)[C@@H]1c1cccs1	ZINC000176006607	823094085	/nfs/dbraw/zinc/09/40/85/823094085.db2.gz	CMGWDUUYOVFIPE-VQIMIIECSA-N	1	1	385.558	4.177	20	30		GIEDMO
N#Cc1cccc(COc2cccc(C[N@@H+]3CC[C@@H](n4cc(Cl)cn4)C3)c2)c1	ZINC000570893066	823103496	/nfs/dbraw/zinc/10/34/96/823103496.db2.gz	PGMIHZQYNVDUIY-OAQYLSRUSA-N	1	1	392.890	4.434	20	30		GIEDMO
C=C(C)[C@H]([NH2+]Cc1cc(=O)n2cc(Cl)ccc2n1)c1ccc(F)c(F)c1	ZINC000187759830	823127168	/nfs/dbraw/zinc/12/71/68/823127168.db2.gz	REHWQXKLUHBRNV-IBGZPJMESA-N	1	1	375.806	4.033	20	30		GIEDMO
C=C(C)[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc(OC)cc1OC)c1ccc(F)c(F)c1	ZINC000187770549	823129652	/nfs/dbraw/zinc/12/96/52/823129652.db2.gz	VZICOHBJZOTKPO-RBZFPXEDSA-N	1	1	390.430	4.216	20	30		GIEDMO
C=C(C)[C@H]([NH2+]CC(=O)NCc1ccc(COCC)cc1)c1ccc(F)c(F)c1	ZINC000187777976	823130948	/nfs/dbraw/zinc/13/09/48/823130948.db2.gz	NJYCUGZWJKHXQO-QFIPXVFZSA-N	1	1	388.458	4.025	20	30		GIEDMO
C=C[C@@](C)(CCOC)C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1	ZINC000187834700	823142996	/nfs/dbraw/zinc/14/29/96/823142996.db2.gz	VRYXNJACRLUNQH-FQEVSTJZSA-N	1	1	399.362	4.303	20	30		GIEDMO
N#Cc1ccc(C[NH+]2CCC(OC[C@@H]3CCCCO3)CC2)c(C(F)(F)F)c1	ZINC000571251842	823155933	/nfs/dbraw/zinc/15/59/33/823155933.db2.gz	SXAQXAWKXSJXIA-SFHVURJKSA-N	1	1	382.426	4.127	20	30		GIEDMO
CC[N@H+]1CC[C@H](CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)C1	ZINC000056659194	823191434	/nfs/dbraw/zinc/19/14/34/823191434.db2.gz	UQALHKAKSLWDEC-GOSISDBHSA-N	1	1	378.476	4.122	20	30		GIEDMO
Cc1[nH+]ccn1CCCNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C	ZINC000056728375	823201183	/nfs/dbraw/zinc/20/11/83/823201183.db2.gz	DUAKHCYFEZVBKR-UHFFFAOYSA-N	1	1	389.459	4.376	20	30		GIEDMO
N#Cc1ccc(OC2CC[NH+](Cc3ccc(Oc4ccccc4)nn3)CC2)cc1	ZINC000571707451	823222158	/nfs/dbraw/zinc/22/21/58/823222158.db2.gz	YPSSOGQORHNJJC-UHFFFAOYSA-N	1	1	386.455	4.184	20	30		GIEDMO
CCn1nc(C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)c2ccccc21	ZINC000571842986	823243732	/nfs/dbraw/zinc/24/37/32/823243732.db2.gz	ZVCJUTTXTQXQHD-UHFFFAOYSA-N	1	1	378.451	4.110	20	30		GIEDMO
CC(C)(CCC#N)C[N@H+]1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn32)C1	ZINC000121757061	823244624	/nfs/dbraw/zinc/24/46/24/823244624.db2.gz	MDTRJEWREYSOBO-CQSZACIVSA-N	1	1	379.430	4.257	20	30		GIEDMO
N#Cc1ccc(-c2nnc(C[N@@H+]3CCCCC[C@H]3C[C@H](O)c3ccco3)o2)cc1	ZINC000121798800	823253830	/nfs/dbraw/zinc/25/38/30/823253830.db2.gz	KNHKLEMWQDRGPM-OALUTQOASA-N	1	1	392.459	4.070	20	30		GIEDMO
C[N@H+]1CC[C@H]2CCN(C(=O)Nc3ccc(Sc4ccccc4C#N)cc3)[C@@H]2C1	ZINC000571994903	823267149	/nfs/dbraw/zinc/26/71/49/823267149.db2.gz	RANPANQAIJPGAZ-OXJNMPFZSA-N	1	1	392.528	4.267	20	30		GIEDMO
C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	ZINC000572171806	823294319	/nfs/dbraw/zinc/29/43/19/823294319.db2.gz	LZSSVGSZKITGLA-CALCHBBNSA-N	1	1	393.491	4.130	20	30		GIEDMO
Cn1cccc1[C@H]1CCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2	ZINC000007855235	817939767	/nfs/dbraw/zinc/93/97/67/817939767.db2.gz	GBDYLBXEXPGUQA-GOSISDBHSA-N	1	1	382.533	4.003	20	30		GIEDMO
N#Cc1c(NC(=O)CC[N@@H+]2CCC[C@@H](C(F)(F)F)C2)sc2c1CCCCC2	ZINC000016591201	818456819	/nfs/dbraw/zinc/45/68/19/818456819.db2.gz	QBYKHQXOVOMCNF-CYBMUJFWSA-N	1	1	399.482	4.492	20	30		GIEDMO
Cc1ccc([C@@H]([NH2+]Cc2ccc(C#N)s2)c2cccc(S(C)(=O)=O)c2)cc1	ZINC000176978842	823341031	/nfs/dbraw/zinc/34/10/31/823341031.db2.gz	NXJOQSZVYWYTAS-OAQYLSRUSA-N	1	1	396.537	4.211	20	30		GIEDMO
C[C@H]1C[C@@H](NC(=O)c2ccccc2Sc2ccccc2C#N)C[N@H+]1C1CC1	ZINC000177105227	823372646	/nfs/dbraw/zinc/37/26/46/823372646.db2.gz	KHCSQRWRRIRYDY-DOTOQJQBSA-N	1	1	377.513	4.064	20	30		GIEDMO
C[C@@H]1C[C@@H](NC(=O)c2ccccc2Sc2ccccc2C#N)C[N@H+]1C1CC1	ZINC000177105214	823372725	/nfs/dbraw/zinc/37/27/25/823372725.db2.gz	KHCSQRWRRIRYDY-NVXWUHKLSA-N	1	1	377.513	4.064	20	30		GIEDMO
CCn1c2ccccc2nc1[C@H]1CCC[N@@H+]1CCC(=O)Nc1sccc1C#N	ZINC000177117947	823375348	/nfs/dbraw/zinc/37/53/48/823375348.db2.gz	BRUJQCJBBMICHJ-GOSISDBHSA-N	1	1	393.516	4.155	20	30		GIEDMO
CCn1c2ccccc2nc1[C@H]1CCC[N@H+]1CCC(=O)Nc1sccc1C#N	ZINC000177117947	823375350	/nfs/dbraw/zinc/37/53/50/823375350.db2.gz	BRUJQCJBBMICHJ-GOSISDBHSA-N	1	1	393.516	4.155	20	30		GIEDMO
C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CC#Cc1ccc(C(F)(F)F)cc1	ZINC000177235439	823406378	/nfs/dbraw/zinc/40/63/78/823406378.db2.gz	WMKCCOHOKHRXEJ-MRXNPFEDSA-N	1	1	384.405	4.331	20	30		GIEDMO
C=CCC1(C(=O)NC2CC[NH+](Cc3ccc(Br)cc3)CC2)CCC1	ZINC000189442851	823417509	/nfs/dbraw/zinc/41/75/09/823417509.db2.gz	NGGNEECWYFSJNP-UHFFFAOYSA-N	1	1	391.353	4.276	20	30		GIEDMO
CC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)C1	ZINC000189476799	823425789	/nfs/dbraw/zinc/42/57/89/823425789.db2.gz	BSUQOAYGYLKGTF-KRWDZBQOSA-N	1	1	378.476	4.156	20	30		GIEDMO
C=C(C)Cn1c(-c2ccccc2F)nnc1N1CCC[N@H+](C2CCCC2)CC1	ZINC000460548954	823427902	/nfs/dbraw/zinc/42/79/02/823427902.db2.gz	UMPZVJPZWIDPNF-UHFFFAOYSA-N	1	1	383.515	4.115	20	30		GIEDMO
C[C@@H](c1ccccc1Br)[N@@H+](C)CCC(=O)Nc1sccc1C#N	ZINC000122892839	823430020	/nfs/dbraw/zinc/43/00/20/823430020.db2.gz	GXTDAPVPLOFABI-LBPRGKRZSA-N	1	1	392.322	4.404	20	30		GIEDMO
C[C@@H](c1ccc([S@](C)=O)cc1)[N@H+](C)CC#Cc1ccc(C(F)(F)F)cc1	ZINC000177365138	823446068	/nfs/dbraw/zinc/44/60/68/823446068.db2.gz	IORHYRNZROAYJR-HAWMADMCSA-N	1	1	379.447	4.487	20	30		GIEDMO
C[C@@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)CC#Cc1ccc(C(F)(F)F)cc1	ZINC000177365138	823446072	/nfs/dbraw/zinc/44/60/72/823446072.db2.gz	IORHYRNZROAYJR-HAWMADMCSA-N	1	1	379.447	4.487	20	30		GIEDMO
Cc1ccc([C@H](NC(=O)C[N@@H+](C)Cc2cccc(C#N)c2)c2cccs2)cc1	ZINC000026326541	820084098	/nfs/dbraw/zinc/08/40/98/820084098.db2.gz	JEDTXPOUHVFECE-QHCPKHFHSA-N	1	1	389.524	4.266	20	30		GIEDMO
Cc1ccc([C@H](NC(=O)C[N@H+](C)Cc2cccc(C#N)c2)c2cccs2)cc1	ZINC000026326541	820084109	/nfs/dbraw/zinc/08/41/09/820084109.db2.gz	JEDTXPOUHVFECE-QHCPKHFHSA-N	1	1	389.524	4.266	20	30		GIEDMO
C[N@@H+](CCC(=O)N[C@@H](c1cccs1)c1ccccc1)Cc1cccc(C#N)c1	ZINC000026329349	820084841	/nfs/dbraw/zinc/08/48/41/820084841.db2.gz	MCDLZTBPSKYBTL-HSZRJFAPSA-N	1	1	389.524	4.347	20	30		GIEDMO
Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+](C)[C@@H]2CCC[C@H](C)C2)c1C#N	ZINC000026472696	820101654	/nfs/dbraw/zinc/10/16/54/820101654.db2.gz	QJEBMEXKLBDPED-MAUKXSAKSA-N	1	1	382.508	4.067	20	30		GIEDMO
C=CC[N@H+](CC(=O)N1CC=C(c2c[nH]c3ccccc32)CC1)Cc1ccccc1	ZINC000027777375	820285759	/nfs/dbraw/zinc/28/57/59/820285759.db2.gz	PRZFWGYBFAVCBY-UHFFFAOYSA-N	1	1	385.511	4.472	20	30		GIEDMO
C=CC[N@@H+](CC(=O)N1CC=C(c2c[nH]c3ccccc32)CC1)Cc1ccccc1	ZINC000027777375	820285761	/nfs/dbraw/zinc/28/57/61/820285761.db2.gz	PRZFWGYBFAVCBY-UHFFFAOYSA-N	1	1	385.511	4.472	20	30		GIEDMO
C=CCN1CC[C@@H]([N@@H+](Cc2ccc(-c3ccccc3OC)cc2)C(C)C)C1=O	ZINC000410381509	823481871	/nfs/dbraw/zinc/48/18/71/823481871.db2.gz	LYWZOJNTJORHRJ-JOCHJYFZSA-N	1	1	378.516	4.360	20	30		GIEDMO
CC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C1	ZINC000177540226	823486210	/nfs/dbraw/zinc/48/62/10/823486210.db2.gz	ADNINXNSEPNJGL-SFHVURJKSA-N	1	1	378.476	4.156	20	30		GIEDMO
Cc1cccc2nc(C3CC[NH+]([C@@H](C)C(=O)NC4(C#N)CCCCC4)CC3)oc21	ZINC000189798076	823496536	/nfs/dbraw/zinc/49/65/36/823496536.db2.gz	WGKFODVSJISEJS-KRWDZBQOSA-N	1	1	394.519	4.047	20	30		GIEDMO
Cc1cccc2nc(C3CC[NH+]([C@@H](C)C(=O)Nc4cccc(C#N)c4)CC3)oc21	ZINC000189808246	823498697	/nfs/dbraw/zinc/49/86/97/823498697.db2.gz	HZBXLGKQRJTPAF-INIZCTEOSA-N	1	1	388.471	4.215	20	30		GIEDMO
Cc1cccc2nc(C3CC[NH+](Cc4nnc(-c5ccc(C#N)cc5)o4)CC3)oc21	ZINC000189819822	823501924	/nfs/dbraw/zinc/50/19/24/823501924.db2.gz	XTMLWJNCZLCQOL-UHFFFAOYSA-N	1	1	399.454	4.438	20	30		GIEDMO
C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(C)(C)Cc1ccc(C#N)cc1	ZINC000410545209	823503199	/nfs/dbraw/zinc/50/31/99/823503199.db2.gz	JUNUMUUHYOYJPR-XXBNENTESA-N	1	1	389.543	4.154	20	30		GIEDMO
CCCN(C(=O)Nc1cccc(C#N)c1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1	ZINC000060348992	823518009	/nfs/dbraw/zinc/51/80/09/823518009.db2.gz	NLQMBSGVSJUDRT-JOCHJYFZSA-N	1	1	376.504	4.467	20	30		GIEDMO
CC[N@@H+](CC(=O)NCCSc1ccc(C)cc1)[C@H](C)c1ccc(C#N)cc1	ZINC000060477538	823532559	/nfs/dbraw/zinc/53/25/59/823532559.db2.gz	XBHBSNGDQZBCOL-GOSISDBHSA-N	1	1	381.545	4.158	20	30		GIEDMO
CC[N@@H+](CC(=O)NCCc1ccc(C(C)C)cc1)[C@H](C)c1ccc(C#N)cc1	ZINC000060477438	823532617	/nfs/dbraw/zinc/53/26/17/823532617.db2.gz	CTOBQPHMWUBVCI-LJQANCHMSA-N	1	1	377.532	4.423	20	30		GIEDMO
C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[NH+]1CCC(c2ccc(O)cc2)CC1	ZINC000042633584	821316866	/nfs/dbraw/zinc/31/68/66/821316866.db2.gz	JUPJBVIMRFMSBM-CQSZACIVSA-N	1	1	395.528	4.021	20	30		GIEDMO
CC(C)c1cccc(NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1	ZINC000043551646	821425745	/nfs/dbraw/zinc/42/57/45/821425745.db2.gz	BSAYBKWKBYPYPA-UHFFFAOYSA-N	1	1	376.504	4.421	20	30		GIEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)CCCc3ccc(Cl)cc3)CC2)cc1	ZINC000045014026	821691109	/nfs/dbraw/zinc/69/11/09/821691109.db2.gz	JAEGYIHYWLXDSB-UHFFFAOYSA-N	1	1	395.934	4.269	20	30		GIEDMO
CC(C)c1ccc(CCC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1	ZINC000045013953	821691132	/nfs/dbraw/zinc/69/11/32/821691132.db2.gz	XQHIKYXLAOSFRK-UHFFFAOYSA-N	1	1	389.543	4.349	20	30		GIEDMO
C=C(C)C[N@H+](C)[C@@H](C)C(=O)Nc1ccc(Br)cc1Br	ZINC000181317994	821756082	/nfs/dbraw/zinc/75/60/82/821756082.db2.gz	OPSZDCHELJONGR-JTQLQIEISA-N	1	1	390.119	4.047	20	30		GIEDMO
C=C(C)C[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(Br)cc1Br	ZINC000181317994	821756075	/nfs/dbraw/zinc/75/60/75/821756075.db2.gz	OPSZDCHELJONGR-JTQLQIEISA-N	1	1	390.119	4.047	20	30		GIEDMO
C=CCc1cc(C[N@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)c(O)c(OC)c1	ZINC000181466376	821839272	/nfs/dbraw/zinc/83/92/72/821839272.db2.gz	YFTPSAXFRBCIEU-MRXNPFEDSA-N	1	1	395.425	4.182	20	30		GIEDMO
N#Cc1ccc(C[NH+]2CCC(NCc3sccc3Br)CC2)cc1	ZINC000181926702	822038165	/nfs/dbraw/zinc/03/81/65/822038165.db2.gz	IBIQOTOKZVDAGL-UHFFFAOYSA-N	1	1	390.350	4.136	20	30		GIEDMO
CC[C@@H]([NH2+]CC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1c(C)noc1C	ZINC000182412747	822234082	/nfs/dbraw/zinc/23/40/82/822234082.db2.gz	WFXXAASSHATNGI-XJKSGUPXSA-N	1	1	386.521	4.365	20	30		GIEDMO
CC[C@@H]([NH2+]CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1)c1c(C)noc1C	ZINC000182510058	822274995	/nfs/dbraw/zinc/27/49/95/822274995.db2.gz	DZDOHJMDOYDNCG-GOSISDBHSA-N	1	1	388.899	4.241	20	30		GIEDMO
CC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C1	ZINC000178021506	822286202	/nfs/dbraw/zinc/28/62/02/822286202.db2.gz	LBEKOZJUKCPIOK-QGZVFWFLSA-N	1	1	378.476	4.156	20	30		GIEDMO
C=C(C)Cn1c(-c2cc(C)oc2C)nnc1N1CC[N@H+](C2CCC2)C[C@H](C)C1	ZINC000453447274	822364384	/nfs/dbraw/zinc/36/43/84/822364384.db2.gz	ABVUNMWKVVCZPR-INIZCTEOSA-N	1	1	383.540	4.042	20	30		GIEDMO
Cc1c(C#N)cccc1NC(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1	ZINC000178548064	822390733	/nfs/dbraw/zinc/39/07/33/822390733.db2.gz	KKAWGSKCMQGYDG-UHFFFAOYSA-N	1	1	382.895	4.260	20	30		GIEDMO
Cc1c(C#N)cccc1NC(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1	ZINC000178548064	822390736	/nfs/dbraw/zinc/39/07/36/822390736.db2.gz	KKAWGSKCMQGYDG-UHFFFAOYSA-N	1	1	382.895	4.260	20	30		GIEDMO
C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)N[C@H]3CC[C@@H](CC#N)C3)cc2)C1	ZINC000454329554	822458749	/nfs/dbraw/zinc/45/87/49/822458749.db2.gz	SMLKQMFUJQXVLO-WEMPKCCASA-N	1	1	382.552	4.046	20	30		GIEDMO
C=CCOc1c(Br)cc(C[N@H+](C)Cc2cnc(C)s2)cc1OC	ZINC000179382498	822474376	/nfs/dbraw/zinc/47/43/76/822474376.db2.gz	ATVKPKQRQWKDHK-UHFFFAOYSA-N	1	1	397.338	4.419	20	30		GIEDMO
C=CCOc1c(Br)cc(C[N@@H+](C)Cc2cnc(C)s2)cc1OC	ZINC000179382498	822474378	/nfs/dbraw/zinc/47/43/78/822474378.db2.gz	ATVKPKQRQWKDHK-UHFFFAOYSA-N	1	1	397.338	4.419	20	30		GIEDMO
Cc1ccc([C@H](NC(=O)C[N@@H+](C)Cc2ccc(C#N)cc2)c2cccs2)cc1	ZINC000046527612	822481448	/nfs/dbraw/zinc/48/14/48/822481448.db2.gz	LINHKEOQJOCZCN-QHCPKHFHSA-N	1	1	389.524	4.266	20	30		GIEDMO
Cc1ccc([C@H](NC(=O)C[N@H+](C)Cc2ccc(C#N)cc2)c2cccs2)cc1	ZINC000046527612	822481452	/nfs/dbraw/zinc/48/14/52/822481452.db2.gz	LINHKEOQJOCZCN-QHCPKHFHSA-N	1	1	389.524	4.266	20	30		GIEDMO
C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+](C)Cc3ccc(C#N)cc3)sc2C1	ZINC000046529224	822481834	/nfs/dbraw/zinc/48/18/34/822481834.db2.gz	NUTDYBPCMZBYCH-HNNXBMFYSA-N	1	1	392.528	4.077	20	30		GIEDMO
C[N@H+]1CC[C@H](CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C1	ZINC000454480017	822482075	/nfs/dbraw/zinc/48/20/75/822482075.db2.gz	GPEKUOMBCZFDOL-BEFAXECRSA-N	1	1	382.895	4.069	20	30		GIEDMO
CC[N@@H+](Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)[C@@H](C)c1ccc(C#N)cc1	ZINC000179463094	822486376	/nfs/dbraw/zinc/48/63/76/822486376.db2.gz	LCXUFBLBLCRYLK-INIZCTEOSA-N	1	1	389.459	4.450	20	30		GIEDMO
C[C@@H](CC#N)Sc1ccccc1NC(=O)C[NH2+]C1(c2ccccc2F)CC1	ZINC000179646103	822518896	/nfs/dbraw/zinc/51/88/96/822518896.db2.gz	XQCLVUATEINWQZ-HNNXBMFYSA-N	1	1	383.492	4.437	20	30		GIEDMO
C[C@H](C#N)Oc1ccccc1NC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1	ZINC000184303887	822611236	/nfs/dbraw/zinc/61/12/36/822611236.db2.gz	QVCQGEWWOJSQHF-GUXCAODWSA-N	1	1	398.532	4.244	20	30		GIEDMO
Cn1cc(C[NH2+]Cc2csc(-c3ccccc3)n2)c(-c2ccc(C#N)cc2)n1	ZINC000180139927	822624501	/nfs/dbraw/zinc/62/45/01/822624501.db2.gz	OWKDSSRFYREYAY-UHFFFAOYSA-N	1	1	385.496	4.372	20	30		GIEDMO
C[C@H]1C[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@H](c2ccc(F)cc2)O1	ZINC000180188911	822635610	/nfs/dbraw/zinc/63/56/10/822635610.db2.gz	HQOXNSDZHLTOFW-KSFYIVLOSA-N	1	1	390.462	4.060	20	30		GIEDMO
C[C@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@H](c2ccc(F)cc2)O1	ZINC000180188911	822635612	/nfs/dbraw/zinc/63/56/12/822635612.db2.gz	HQOXNSDZHLTOFW-KSFYIVLOSA-N	1	1	390.462	4.060	20	30		GIEDMO
C[C@@H](NC(C)(C)C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)c1ccccc1	ZINC000180212256	822640440	/nfs/dbraw/zinc/64/04/40/822640440.db2.gz	XOFZIIUWLDPYGU-GOSISDBHSA-N	1	1	387.531	4.178	20	30		GIEDMO
CC(C)[N@@H+](C)Cc1cccc(CNC(=O)C(C)(C)Cc2ccc(C#N)cc2)c1	ZINC000455585609	822678868	/nfs/dbraw/zinc/67/88/68/822678868.db2.gz	BMFPPZBLPIYHKQ-UHFFFAOYSA-N	1	1	377.532	4.284	20	30		GIEDMO
C[C@@H](NC(=O)NCCCC[N@@H+](C)C1CC1)c1ccc(-c2cccc(C#N)c2)cc1	ZINC000455619425	822685273	/nfs/dbraw/zinc/68/52/73/822685273.db2.gz	RMWVQUMOJHIIJC-GOSISDBHSA-N	1	1	390.531	4.460	20	30		GIEDMO
C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C(C)(C)Cc2ccc(C#N)cc2)C1	ZINC000455673965	822697217	/nfs/dbraw/zinc/69/72/17/822697217.db2.gz	YQLVQDXCNCAFBM-UGKGYDQZSA-N	1	1	381.564	4.240	20	30		GIEDMO
C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C(C)(C)Cc2ccc(C#N)cc2)C1	ZINC000455673962	822697288	/nfs/dbraw/zinc/69/72/88/822697288.db2.gz	YQLVQDXCNCAFBM-KNQAVFIVSA-N	1	1	381.564	4.240	20	30		GIEDMO
C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)Nc1ccc(CC#N)cc1Cl	ZINC000455706378	822708352	/nfs/dbraw/zinc/70/83/52/822708352.db2.gz	PSORODBJGSWTNP-MRXNPFEDSA-N	1	1	382.895	4.144	20	30		GIEDMO
C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)Nc1ccc(CC#N)cc1Cl	ZINC000455706378	822708353	/nfs/dbraw/zinc/70/83/53/822708353.db2.gz	PSORODBJGSWTNP-MRXNPFEDSA-N	1	1	382.895	4.144	20	30		GIEDMO
C[C@@H]1C[C@@H](NC(=O)C(C)(C)Cc2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1	ZINC000455876459	822741068	/nfs/dbraw/zinc/74/10/68/822741068.db2.gz	OMOFGCJKJRKAOX-XXBNENTESA-N	1	1	389.543	4.296	20	30		GIEDMO
CC(C)[N@@H+]1CC[C@H](NC(=O)Nc2cccc(CC#N)c2)[C@H]1c1ccc(F)c(F)c1	ZINC000455904975	822746049	/nfs/dbraw/zinc/74/60/49/822746049.db2.gz	KUKSMZIINOCFTI-LEWJYISDSA-N	1	1	398.457	4.376	20	30		GIEDMO
CC(C)[N@H+]1CC[C@H](NC(=O)Nc2cccc(CC#N)c2)[C@H]1c1ccc(F)c(F)c1	ZINC000455904975	822746051	/nfs/dbraw/zinc/74/60/51/822746051.db2.gz	KUKSMZIINOCFTI-LEWJYISDSA-N	1	1	398.457	4.376	20	30		GIEDMO
C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH2+][C@H](c1ncc(C)s1)C1CC1	ZINC000185309506	822763709	/nfs/dbraw/zinc/76/37/09/822763709.db2.gz	JUZRYHVLZABSMS-PBHICJAKSA-N	1	1	375.563	4.157	20	30		GIEDMO
CC[N@@H+](CCC1CCN(C(=O)C(C)(C)Cc2ccc(C#N)cc2)CC1)CC1CC1	ZINC000456021644	822767713	/nfs/dbraw/zinc/76/77/13/822767713.db2.gz	SDKDNOJKPAAQAQ-UHFFFAOYSA-N	1	1	395.591	4.488	20	30		GIEDMO
CCOc1ccc(N(CCC#N)C(=O)C[N@H+](Cc2ccco2)C2CCCC2)cc1	ZINC000052076698	822789802	/nfs/dbraw/zinc/78/98/02/822789802.db2.gz	VWUKPDOGWJJJFQ-UHFFFAOYSA-N	1	1	395.503	4.370	20	30		GIEDMO
CCOc1ccc(N(CCC#N)C(=O)C[N@@H+](Cc2ccco2)C2CCCC2)cc1	ZINC000052076698	822789803	/nfs/dbraw/zinc/78/98/03/822789803.db2.gz	VWUKPDOGWJJJFQ-UHFFFAOYSA-N	1	1	395.503	4.370	20	30		GIEDMO
C=CCn1c(SCC[N@H+](C)Cc2ccc(F)cc2)nnc1-c1ccoc1C	ZINC000185682351	822809617	/nfs/dbraw/zinc/80/96/17/822809617.db2.gz	JSQZLVHYWUMCNH-UHFFFAOYSA-N	1	1	386.496	4.396	20	30		GIEDMO
CC(C)c1ccccc1NC(=O)[C@H](C)[N@@H+]1CCCN(c2ccccc2C#N)CC1	ZINC000052801203	822810970	/nfs/dbraw/zinc/81/09/70/822810970.db2.gz	OHNYNKZLURPHDP-IBGZPJMESA-N	1	1	390.531	4.221	20	30		GIEDMO
CC(C)c1ccccc1NC(=O)[C@H](C)[N@H+]1CCCN(c2ccccc2C#N)CC1	ZINC000052801203	822810973	/nfs/dbraw/zinc/81/09/73/822810973.db2.gz	OHNYNKZLURPHDP-IBGZPJMESA-N	1	1	390.531	4.221	20	30		GIEDMO
C=C(C)[C@@H](NC(=O)N1CCC[N@H+](C2CCCC2)CC1)c1ccc(F)c(F)c1	ZINC000185846670	822826942	/nfs/dbraw/zinc/82/69/42/822826942.db2.gz	LQMUQYJOYAEMIF-HXUWFJFHSA-N	1	1	377.479	4.242	20	30		GIEDMO
CC#CCCCC(=O)N(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F	ZINC000185950196	822836444	/nfs/dbraw/zinc/83/64/44/822836444.db2.gz	SFHMQRATPKKYMP-IBGZPJMESA-N	1	1	380.454	4.093	20	30		GIEDMO
CC(C)[N@H+]1CC[C@H](N(C)C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)C1	ZINC000457103274	822853407	/nfs/dbraw/zinc/85/34/07/822853407.db2.gz	ARJGERZVEZTPIU-FQEVSTJZSA-N	1	1	377.488	4.100	20	30		GIEDMO
C[N@H+](CCOCc1ccc(C#N)cc1)Cc1coc(-c2c(F)cccc2F)n1	ZINC000569046587	822873198	/nfs/dbraw/zinc/87/31/98/822873198.db2.gz	JOEBZULYJSVGFB-UHFFFAOYSA-N	1	1	383.398	4.140	20	30		GIEDMO
C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1coc(-c2c(F)cccc2F)n1	ZINC000569046587	822873203	/nfs/dbraw/zinc/87/32/03/822873203.db2.gz	JOEBZULYJSVGFB-UHFFFAOYSA-N	1	1	383.398	4.140	20	30		GIEDMO
COc1ccccc1[C@H](CNC(=O)N[C@@H](CCCC#N)c1ccccc1)[NH+](C)C	ZINC000457453015	822876328	/nfs/dbraw/zinc/87/63/28/822876328.db2.gz	IQDGDVQESRGRAV-SFTDATJTSA-N	1	1	394.519	4.032	20	30		GIEDMO
N#Cc1cccc(COc2cccc(C[N@H+]3CCSC4(CCOCC4)C3)c2)c1	ZINC000186486474	822903185	/nfs/dbraw/zinc/90/31/85/822903185.db2.gz	MCNAHFIJDHWKJK-UHFFFAOYSA-N	1	1	394.540	4.235	20	30		GIEDMO
CN(CC(C)(C)C#N)C(=O)NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1	ZINC000457750703	822914496	/nfs/dbraw/zinc/91/44/96/822914496.db2.gz	UZFFCBXKEWKPCT-IBGZPJMESA-N	1	1	396.560	4.039	20	30		GIEDMO
CN(CC(C)(C)C#N)C(=O)NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1	ZINC000457750703	822914499	/nfs/dbraw/zinc/91/44/99/822914499.db2.gz	UZFFCBXKEWKPCT-IBGZPJMESA-N	1	1	396.560	4.039	20	30		GIEDMO
Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1ccc(Sc2ccccc2C#N)cc1	ZINC000175379476	822952197	/nfs/dbraw/zinc/95/21/97/822952197.db2.gz	ISKJSKCBOGBPOC-INIZCTEOSA-N	1	1	390.512	4.281	20	30		GIEDMO
N#CCSc1cccc(C(=O)Nc2ccccc2C[NH+]2CCSCC2)c1	ZINC000175703318	823023573	/nfs/dbraw/zinc/02/35/73/823023573.db2.gz	DLIHKNUYYOXVNF-UHFFFAOYSA-N	1	1	383.542	4.103	20	30		GIEDMO
C[C@H]1C[C@H](N(C)C(=O)Nc2ccc(F)cc2C#N)CC[N@H+]1Cc1ccccc1	ZINC000177896664	823543301	/nfs/dbraw/zinc/54/33/01/823543301.db2.gz	HCKQGXABTXDDBX-OXJNMPFZSA-N	1	1	380.467	4.214	20	30		GIEDMO
C=C(C)Cn1c(COCC)nnc1N(CC)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1	ZINC000460944286	823547731	/nfs/dbraw/zinc/54/77/31/823547731.db2.gz	QJJOURQJNOXRSB-FPOVZHCZSA-N	1	1	397.567	4.053	20	30		GIEDMO
C=C(C)Cn1c(COCC)nnc1N(CC)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1	ZINC000460944287	823547761	/nfs/dbraw/zinc/54/77/61/823547761.db2.gz	QJJOURQJNOXRSB-PZJWPPBQSA-N	1	1	397.567	4.053	20	30		GIEDMO
CCC[N@@H+](Cc1ccc(C#N)cc1)[C@H](C)C(=O)Nc1ccccc1OC(F)F	ZINC000411168079	823553777	/nfs/dbraw/zinc/55/37/77/823553777.db2.gz	PHLMZDLRXWDFTB-OAHLLOKOSA-N	1	1	387.430	4.399	20	30		GIEDMO
C=CCN(Cc1ccccc1)C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1	ZINC000124070423	823564949	/nfs/dbraw/zinc/56/49/49/823564949.db2.gz	RRRSIVMZGALTRT-UHFFFAOYSA-N	1	1	399.485	4.327	20	30		GIEDMO
Fc1ccc(OC2CC[NH+](CC#Cc3ccc(C(F)(F)F)cc3)CC2)cn1	ZINC000190522412	823583371	/nfs/dbraw/zinc/58/33/71/823583371.db2.gz	ZFPLCHUFYPNGRA-UHFFFAOYSA-N	1	1	378.369	4.134	20	30		GIEDMO
C[C@@H](CCC#N)[N@@H+](C)Cc1cccc(Br)c1OC[C@H]1CCCO1	ZINC000411607291	823590507	/nfs/dbraw/zinc/59/05/07/823590507.db2.gz	CRVSQJICNVMOAU-GOEBONIOSA-N	1	1	381.314	4.131	20	30		GIEDMO
CCOc1ccc(Cl)cc1[C@H](C)[NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000190608054	823591035	/nfs/dbraw/zinc/59/10/35/823591035.db2.gz	IHSKQERKZJUWFC-YWZLYKJASA-N	1	1	397.906	4.062	20	30		GIEDMO
N#CCCCC[N@@H+]1CCC[C@@H]1c1nc(-c2ccccc2Br)no1	ZINC000190781067	823608131	/nfs/dbraw/zinc/60/81/31/823608131.db2.gz	VJCFLKJABFFKIB-OAHLLOKOSA-N	1	1	375.270	4.330	20	30		GIEDMO
CN(CC[C@H]1CCCC[N@H+]1C)C(=O)c1cccc(COc2ccccc2C#N)c1	ZINC000461263772	823608353	/nfs/dbraw/zinc/60/83/53/823608353.db2.gz	MTSHITQNBYQTRB-JOCHJYFZSA-N	1	1	391.515	4.084	20	30		GIEDMO
COc1ccc([C@H]2CCC[N@H+]2Cc2ccc(N(C)CCC#N)cc2)cc1OC	ZINC000124668199	823615585	/nfs/dbraw/zinc/61/55/85/823615585.db2.gz	VDUHZUXFOMDDQC-OAQYLSRUSA-N	1	1	379.504	4.391	20	30		GIEDMO
CC(C)(C#N)c1ccc(C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1	ZINC000461427037	823634549	/nfs/dbraw/zinc/63/45/49/823634549.db2.gz	GCICCIFAAGASIM-VXKWHMMOSA-N	1	1	387.527	4.082	20	30		GIEDMO
CC[N@H+]1CC[C@@H](CNC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)C1	ZINC000124977150	823642143	/nfs/dbraw/zinc/64/21/43/823642143.db2.gz	GKCLNKBYKUJUST-HNNXBMFYSA-N	1	1	383.879	4.076	20	30		GIEDMO
C=CC[N@@H+](Cc1ccc(OCc2nccn2C)cc1)Cc1cccc([N+](=O)[O-])c1	ZINC000063287380	823660229	/nfs/dbraw/zinc/66/02/29/823660229.db2.gz	JIRIXKBLFMGKJJ-UHFFFAOYSA-N	1	1	392.459	4.096	20	30		GIEDMO
C=CC[N@H+](Cc1ccc(OCc2nccn2C)cc1)Cc1cccc([N+](=O)[O-])c1	ZINC000063287380	823660230	/nfs/dbraw/zinc/66/02/30/823660230.db2.gz	JIRIXKBLFMGKJJ-UHFFFAOYSA-N	1	1	392.459	4.096	20	30		GIEDMO
C=CC[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1cccc(C#N)c1	ZINC000063300307	823660928	/nfs/dbraw/zinc/66/09/28/823660928.db2.gz	AFWRNQFUGSHQPD-UHFFFAOYSA-N	1	1	378.863	4.100	20	30		GIEDMO
C=CCN(Cc1cccc(C#N)c1)C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1	ZINC000063402080	823668347	/nfs/dbraw/zinc/66/83/47/823668347.db2.gz	WAXPZDYZCFRPBG-BGYRXZFFSA-N	1	1	382.552	4.014	20	30		GIEDMO
N#Cc1ccc(NC(=O)CC[N@@H+](CCc2ccccc2)Cc2cccnc2)cc1	ZINC000191344157	823674251	/nfs/dbraw/zinc/67/42/51/823674251.db2.gz	ZCXGXWKZNIOGAS-UHFFFAOYSA-N	1	1	384.483	4.027	20	30		GIEDMO
C[N@@H+](CCCC(C)(C)C#N)Cc1cccc(Br)c1OCC(C)(C)O	ZINC000191350954	823675184	/nfs/dbraw/zinc/67/51/84/823675184.db2.gz	SRYBZAWPIAUJDT-UHFFFAOYSA-N	1	1	397.357	4.361	20	30		GIEDMO
CCC[N@@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)Cc1ccc(C#N)cc1	ZINC000063504300	823676569	/nfs/dbraw/zinc/67/65/69/823676569.db2.gz	MBJOACHGRQKZTR-UHFFFAOYSA-N	1	1	380.448	4.016	20	30		GIEDMO
CC[N@@H+](C[C@@H](O)COc1cccc(C(F)(F)F)c1)[C@H](C)c1ccc(C#N)cc1	ZINC000063506797	823676911	/nfs/dbraw/zinc/67/69/11/823676911.db2.gz	XHFLRRWNWHFRHQ-DNVCBOLYSA-N	1	1	392.421	4.400	20	30		GIEDMO
Cc1noc([C@H]2CCC[N@@H+](CCC(C#N)(c3ccccc3)c3ccccc3)C2)n1	ZINC000191459669	823687631	/nfs/dbraw/zinc/68/76/31/823687631.db2.gz	QZCZRFNCHATMLC-FQEVSTJZSA-N	1	1	386.499	4.457	20	30		GIEDMO
CN(CC[N@@H+](C)C1CCCCC1)C(=O)c1ccc(COc2ccccc2C#N)o1	ZINC000063771130	823694527	/nfs/dbraw/zinc/69/45/27/823694527.db2.gz	BVFGYCZYQAFCCY-UHFFFAOYSA-N	1	1	395.503	4.067	20	30		GIEDMO
N#Cc1cnn2cc(C[N@@H+]3CCCC[C@@H]3c3ccc(C(F)(F)F)cc3)cnc12	ZINC000574324317	823702792	/nfs/dbraw/zinc/70/27/92/823702792.db2.gz	FPEAHMZEROYQGO-GOSISDBHSA-N	1	1	385.393	4.347	20	30		GIEDMO
C[C@H]1C[C@@H](CCNC(=O)N2CCC(CCC#N)CC2)C[N@H+]1Cc1ccccc1	ZINC000574395846	823719214	/nfs/dbraw/zinc/71/92/14/823719214.db2.gz	ONJCOGFHLRJEHK-SIKLNZKXSA-N	1	1	382.552	4.012	20	30		GIEDMO
C[N@@H+](Cc1ccccc1C(C)(C)C#N)[C@H](CO)c1cccc(Br)c1	ZINC000125825428	823721044	/nfs/dbraw/zinc/72/10/44/823721044.db2.gz	HJHSRFOEVDUIRG-LJQANCHMSA-N	1	1	387.321	4.416	20	30		GIEDMO
Cc1cc(N(CCC#N)C(=O)C[NH+]2CCC(c3ccncc3)CC2)ccc1Cl	ZINC000191647627	823723554	/nfs/dbraw/zinc/72/35/54/823723554.db2.gz	HLBGGIVFXPBOIX-UHFFFAOYSA-N	1	1	396.922	4.170	20	30		GIEDMO
C[C@@H]([NH2+][C@@H](C)c1cncc(F)c1)C(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC000574416635	823724334	/nfs/dbraw/zinc/72/43/34/823724334.db2.gz	PHNIENUYJJXDMH-QWHCGFSZSA-N	1	1	386.496	4.101	20	30		GIEDMO
C[C@H](C(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)c1cccc(C#N)c1	ZINC000461910198	823750517	/nfs/dbraw/zinc/75/05/17/823750517.db2.gz	URSVUQVOWUXAPD-MOPGFXCFSA-N	1	1	375.516	4.210	20	30		GIEDMO
C[C@H]([NH2+]Cc1cc(C#N)ccc1Br)c1cccc(N2CCCC2=O)c1	ZINC000191820859	823782215	/nfs/dbraw/zinc/78/22/15/823782215.db2.gz	CYJDWIGVFDPNQB-AWEZNQCLSA-N	1	1	398.304	4.298	20	30		GIEDMO
N#Cc1ccccc1NC(=O)CC[N@@H+]1CCC[C@H]1c1cccc(Br)c1	ZINC000165470780	823849799	/nfs/dbraw/zinc/84/97/99/823849799.db2.gz	JKXVJPRQEZJYBZ-IBGZPJMESA-N	1	1	398.304	4.486	20	30		GIEDMO
Cc1cc(NC(=O)CC[N@@H+](Cc2ccc(C#N)cc2)Cc2cccc(F)c2)no1	ZINC000165848117	823864000	/nfs/dbraw/zinc/86/40/00/823864000.db2.gz	HVNNMJLLUACZHR-UHFFFAOYSA-N	1	1	392.434	4.025	20	30		GIEDMO
N#Cc1ccc(NC(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cc1Cl	ZINC000064695378	823866327	/nfs/dbraw/zinc/86/63/27/823866327.db2.gz	SZEJSMHIZKFJAB-AWEZNQCLSA-N	1	1	388.924	4.307	20	30		GIEDMO
C[C@H](C(=O)N[C@@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C)c1cccc(C#N)c1	ZINC000462210885	823873643	/nfs/dbraw/zinc/87/36/43/823873643.db2.gz	GZILZWKDHOGPCM-MBSDFSHPSA-N	1	1	389.543	4.251	20	30		GIEDMO
C[C@H](C(=O)NCC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)c1cccc(C#N)c1	ZINC000462232563	823886074	/nfs/dbraw/zinc/88/60/74/823886074.db2.gz	MOJLRPHWVZDAKY-IPJJNNNSSA-N	1	1	375.516	4.079	20	30		GIEDMO
FC(F)(F)Oc1ccc(C#CC[NH+]2CCC(c3noc(C4CC4)n3)CC2)cc1	ZINC000462241172	823891743	/nfs/dbraw/zinc/89/17/43/823891743.db2.gz	YUSRGUGFHLZRDZ-UHFFFAOYSA-N	1	1	391.393	4.077	20	30		GIEDMO
CCOc1cc(C[NH+]2CCC(CCC#N)CC2)cc(Br)c1OC	ZINC000575402171	823967911	/nfs/dbraw/zinc/96/79/11/823967911.db2.gz	MTPYLSQZIJQGGL-UHFFFAOYSA-N	1	1	381.314	4.372	20	30		GIEDMO
C=CCOc1c(Br)cc(C[N@@H+]2CCC[C@H](CO)[C@@H]2C)cc1OCC	ZINC000414563506	824013527	/nfs/dbraw/zinc/01/35/27/824013527.db2.gz	CTYCWPZARDVWQR-GOEBONIOSA-N	1	1	398.341	4.005	20	30		GIEDMO
C=CCOc1c(Br)cc(C[N@H+]2CCC[C@H](CO)[C@@H]2C)cc1OCC	ZINC000414563506	824013533	/nfs/dbraw/zinc/01/35/33/824013533.db2.gz	CTYCWPZARDVWQR-GOEBONIOSA-N	1	1	398.341	4.005	20	30		GIEDMO
CCc1nc(C)c([C@@H](C)[N@H+](C)[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)s1	ZINC000192601386	824043222	/nfs/dbraw/zinc/04/32/22/824043222.db2.gz	UCODHBATMSOINB-CRAIPNDOSA-N	1	1	382.533	4.074	20	30		GIEDMO
CCc1nc(C)c([C@@H](C)[N@@H+](C)[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)s1	ZINC000192601386	824043226	/nfs/dbraw/zinc/04/32/26/824043226.db2.gz	UCODHBATMSOINB-CRAIPNDOSA-N	1	1	382.533	4.074	20	30		GIEDMO
C[C@@H]1C[N@H+](C)[C@H](C)CN1C(F)(F)c1ccc2nc(Cl)c(C#N)c(Cl)c2c1	ZINC001164637863	719258776	/nfs/dbraw/zinc/25/87/76/719258776.db2.gz	WSKLTZSMBWVRAQ-GHMZBOCLSA-N	1	1	399.272	4.487	20	30		GIEDMO
C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(F)(F)c1ccc2nc(Cl)c(C#N)c(Cl)c2c1	ZINC001164637863	719258777	/nfs/dbraw/zinc/25/87/77/719258777.db2.gz	WSKLTZSMBWVRAQ-GHMZBOCLSA-N	1	1	399.272	4.487	20	30		GIEDMO
Cc1cc(Cl)nc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1C#N	ZINC001165025866	721801665	/nfs/dbraw/zinc/80/16/65/721801665.db2.gz	PSTWJNJKZFEXMQ-DBVUQKKJSA-N	1	1	395.938	4.047	20	30		GIEDMO
Cc1nc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c(Cl)cc1C#N	ZINC001165018761	721831071	/nfs/dbraw/zinc/83/10/71/721831071.db2.gz	AEVDWKAVZFSIDB-NBHGPNQESA-N	1	1	395.938	4.047	20	30		GIEDMO
Cn1cc([C@@H]([NH2+]Cc2cccc(OCCCC#N)c2)c2ccc(F)cc2)cn1	ZINC000187514455	823078812	/nfs/dbraw/zinc/07/88/12/823078812.db2.gz	WMFLNXOYCVUIJD-QFIPXVFZSA-N	1	1	378.451	4.121	20	30		GIEDMO
C[C@@H](C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1cc2ccccc2o1	ZINC000175965182	823083571	/nfs/dbraw/zinc/08/35/71/823083571.db2.gz	LDXKRVDMBOFNEW-GOSISDBHSA-N	1	1	387.483	4.142	20	30		GIEDMO
C[C@@H](C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)c1cc2ccccc2o1	ZINC000175965182	823083575	/nfs/dbraw/zinc/08/35/75/823083575.db2.gz	LDXKRVDMBOFNEW-GOSISDBHSA-N	1	1	387.483	4.142	20	30		GIEDMO
CN(C(=O)N[C@H](CCCC#N)c1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000458799965	823087717	/nfs/dbraw/zinc/08/77/17/823087717.db2.gz	KSVHJLRAYZUSIK-DHIUTWEWSA-N	1	1	390.531	4.337	20	30		GIEDMO
CC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc(Sc3ccccc3C#N)cc2)C1	ZINC000176084895	823115430	/nfs/dbraw/zinc/11/54/30/823115430.db2.gz	WUKUEJHRHAHRIZ-QGZVFWFLSA-N	1	1	379.529	4.123	20	30		GIEDMO
C=C(C)[C@H]([NH2+][C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(F)c(F)c1	ZINC000187759676	823127137	/nfs/dbraw/zinc/12/71/37/823127137.db2.gz	XNYGQFVSFGVYEI-XIKOKIGWSA-N	1	1	375.375	4.107	20	30		GIEDMO
C=C(C)[C@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(F)c(F)c1	ZINC000187759658	823127195	/nfs/dbraw/zinc/12/71/95/823127195.db2.gz	XNYGQFVSFGVYEI-SGTLLEGYSA-N	1	1	375.375	4.107	20	30		GIEDMO
N#CCCC1CCN(c2cc(C3CC3)[nH+]c(N3CCC(CCC#N)CC3)n2)CC1	ZINC000571076599	823128451	/nfs/dbraw/zinc/12/84/51/823128451.db2.gz	QGOKRISHSLNRGV-UHFFFAOYSA-N	1	1	392.551	4.394	20	30		GIEDMO
C=C[C@](C)(CCOC)C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1	ZINC000187834724	823142932	/nfs/dbraw/zinc/14/29/32/823142932.db2.gz	VRYXNJACRLUNQH-HXUWFJFHSA-N	1	1	399.362	4.303	20	30		GIEDMO
CCOc1cc(C[N@@H+](C)Cc2cccc(C#N)c2)cc(Br)c1O	ZINC000459290046	823157091	/nfs/dbraw/zinc/15/70/91/823157091.db2.gz	BGYSNIHBPIYVGH-UHFFFAOYSA-N	1	1	375.266	4.057	20	30		GIEDMO
C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1ccccc1N1CCO[C@H](C)C1	ZINC000459552008	823218489	/nfs/dbraw/zinc/21/84/89/823218489.db2.gz	YDTFELVHRGPRQS-HXUWFJFHSA-N	1	1	382.552	4.267	20	30		GIEDMO
C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1ccccc1N1CCO[C@H](C)C1	ZINC000459552008	823218494	/nfs/dbraw/zinc/21/84/94/823218494.db2.gz	YDTFELVHRGPRQS-HXUWFJFHSA-N	1	1	382.552	4.267	20	30		GIEDMO
C=C[C@H](CC(=O)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)c1ccccc1	ZINC000121704249	823233803	/nfs/dbraw/zinc/23/38/03/823233803.db2.gz	BSCXVONVMGUNNM-RZUBCFFCSA-N	1	1	384.564	4.084	20	30		GIEDMO
N#Cc1ccc(N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c(Br)c1	ZINC000409636805	823269025	/nfs/dbraw/zinc/26/90/25/823269025.db2.gz	URXCUONTZWZVDJ-OAHLLOKOSA-N	1	1	385.309	4.238	20	30		GIEDMO
C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(c2nc3ccccc3s2)CC1	ZINC000005090421	817550934	/nfs/dbraw/zinc/55/09/34/817550934.db2.gz	XFJVKNJQWCVVHU-OAHLLOKOSA-N	1	1	390.512	4.375	20	30		GIEDMO
COc1ccc(C[NH+]2CCN(c3cccc(C)c3)CC2)cc1OCCCC#N	ZINC000121995060	823290417	/nfs/dbraw/zinc/29/04/17/823290417.db2.gz	VYWKRJYRLIKILI-UHFFFAOYSA-N	1	1	379.504	4.008	20	30		GIEDMO
Cc1cc(C#N)ccc1Oc1ccc(C(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc1	ZINC000122190298	823319207	/nfs/dbraw/zinc/31/92/07/823319207.db2.gz	OURPJBDZWNUWOA-UWJYYQICSA-N	1	1	377.488	4.071	20	30		GIEDMO
Cc1cc(C#N)ccc1Oc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1	ZINC000122190198	823319221	/nfs/dbraw/zinc/31/92/21/823319221.db2.gz	OURPJBDZWNUWOA-LAUBAEHRSA-N	1	1	377.488	4.071	20	30		GIEDMO
CC[N@H+](CCOc1ccc(C#N)cc1)CC(=O)Nc1c(Cl)cccc1Cl	ZINC000016442923	818442907	/nfs/dbraw/zinc/44/29/07/818442907.db2.gz	PGBOICWKTSUMLM-UHFFFAOYSA-N	1	1	392.286	4.204	20	30		GIEDMO
CC[N@@H+](CCOc1ccc(C#N)cc1)CC(=O)Nc1c(Cl)cccc1Cl	ZINC000016442923	818442913	/nfs/dbraw/zinc/44/29/13/818442913.db2.gz	PGBOICWKTSUMLM-UHFFFAOYSA-N	1	1	392.286	4.204	20	30		GIEDMO
C=CCOc1ccc(CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1	ZINC000572508828	823351403	/nfs/dbraw/zinc/35/14/03/823351403.db2.gz	NTWPCSAKOMMSGX-DENIHFKCSA-N	1	1	393.531	4.104	20	30		GIEDMO
N#Cc1ccsc1N1CC[C@@H]([NH2+][C@H](c2ccccc2)c2cccc(F)c2)C1=O	ZINC000122556882	823372187	/nfs/dbraw/zinc/37/21/87/823372187.db2.gz	VRPOFDVARSMOSA-WOJBJXKFSA-N	1	1	391.471	4.243	20	30		GIEDMO
N#Cc1ccsc1N1CC[C@H]([NH2+][C@@H](c2ccccc2)c2cccc(F)c2)C1=O	ZINC000122557121	823372208	/nfs/dbraw/zinc/37/22/08/823372208.db2.gz	VRPOFDVARSMOSA-PMACEKPBSA-N	1	1	391.471	4.243	20	30		GIEDMO
C=CC[N@@H+](Cc1csc(-c2c(C)c(C)nn(C)c2=O)n1)CC1CCCCC1	ZINC000177163991	823387762	/nfs/dbraw/zinc/38/77/62/823387762.db2.gz	LXFNMCRRKLPLMQ-UHFFFAOYSA-N	1	1	386.565	4.089	20	30		GIEDMO
C=CC[N@H+](Cc1csc(-c2c(C)c(C)nn(C)c2=O)n1)CC1CCCCC1	ZINC000177163991	823387766	/nfs/dbraw/zinc/38/77/66/823387766.db2.gz	LXFNMCRRKLPLMQ-UHFFFAOYSA-N	1	1	386.565	4.089	20	30		GIEDMO
FC(F)(F)C(F)(F)COCC[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1	ZINC000189350050	823399268	/nfs/dbraw/zinc/39/92/68/823399268.db2.gz	JFCYJDSYYSFNKW-UHFFFAOYSA-N	1	1	383.201	4.017	20	30		GIEDMO
FC(F)(F)C(F)(F)COCC[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1	ZINC000189350050	823399274	/nfs/dbraw/zinc/39/92/74/823399274.db2.gz	JFCYJDSYYSFNKW-UHFFFAOYSA-N	1	1	383.201	4.017	20	30		GIEDMO
C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CC#Cc1ccc(C(F)(F)F)cc1	ZINC000177235427	823406401	/nfs/dbraw/zinc/40/64/01/823406401.db2.gz	WMKCCOHOKHRXEJ-INIZCTEOSA-N	1	1	384.405	4.331	20	30		GIEDMO
C=CCn1c(C2CCC2)nnc1N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1	ZINC000573021099	823434658	/nfs/dbraw/zinc/43/46/58/823434658.db2.gz	KRZHOWVZPTUYBH-GHTZIAJQSA-N	1	1	379.552	4.221	20	30		GIEDMO
Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+](C)[C@@H]2CCC[C@@H](C)C2)c1C#N	ZINC000026472689	820101397	/nfs/dbraw/zinc/10/13/97/820101397.db2.gz	QJEBMEXKLBDPED-CRAIPNDOSA-N	1	1	382.508	4.067	20	30		GIEDMO
CC[C@](C)(O)C[N@@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)Cc1ccccc1	ZINC000189745917	823486663	/nfs/dbraw/zinc/48/66/63/823486663.db2.gz	SRVHUFZDCXPTKY-DEOSSOPVSA-N	1	1	388.515	4.122	20	30		GIEDMO
N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)cc1	ZINC000059375721	823494343	/nfs/dbraw/zinc/49/43/43/823494343.db2.gz	HTWHKNYIWBTPKW-OXJNMPFZSA-N	1	1	391.298	4.442	20	30		GIEDMO
N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)cc1	ZINC000059375721	823494347	/nfs/dbraw/zinc/49/43/47/823494347.db2.gz	HTWHKNYIWBTPKW-OXJNMPFZSA-N	1	1	391.298	4.442	20	30		GIEDMO
N#Cc1ccccc1-c1ccccc1C(=O)NCC[N@H+]1CCc2ccccc2C1	ZINC000030318248	820599928	/nfs/dbraw/zinc/59/99/28/820599928.db2.gz	KZLNENSLNLZYSX-UHFFFAOYSA-N	1	1	381.479	4.013	20	30		GIEDMO
Cc1cccc2nc(C3CC[NH+](CC(=O)N(C)C4(C#N)CCCCC4)CC3)oc21	ZINC000189818461	823501641	/nfs/dbraw/zinc/50/16/41/823501641.db2.gz	ZBOHUOUVAOHHKE-UHFFFAOYSA-N	1	1	394.519	4.001	20	30		GIEDMO
CC(=O)N(c1nc(/C=C/C(=O)c2ccc(-n3cc[nH+]c3C)cc2)cs1)C1CC1	ZINC000177617109	823502069	/nfs/dbraw/zinc/50/20/69/823502069.db2.gz	FNITUKSZWFYGBC-BJMVGYQFSA-N	1	1	392.484	4.049	20	30		GIEDMO
C=C(C)Cn1c(-c2c[nH]c3ccccc32)nnc1N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C	ZINC000460806191	823517557	/nfs/dbraw/zinc/51/75/57/823517557.db2.gz	WBGBGLCPIHJQJF-UWJYYQICSA-N	1	1	392.551	4.169	20	30		GIEDMO
CCC[N@H+](Cc1nnc(-c2ccccc2Cl)o1)C[C@@H](O)c1ccc(C#N)cc1	ZINC000177760983	823521963	/nfs/dbraw/zinc/52/19/63/823521963.db2.gz	KFDDZUZSHZPSPS-LJQANCHMSA-N	1	1	396.878	4.207	20	30		GIEDMO
CN(CCC#N)c1ccc(C[N@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)cc1	ZINC000180803841	821467381	/nfs/dbraw/zinc/46/73/81/821467381.db2.gz	RBXIJXXYPVCKAC-SFHVURJKSA-N	1	1	391.441	4.089	20	30		GIEDMO
COc1ccc(C[N@H+](C)Cc2cc(F)c(F)c(F)c2)cc1OCCCC#N	ZINC000181011180	821592036	/nfs/dbraw/zinc/59/20/36/821592036.db2.gz	NPYALFZEANBILT-UHFFFAOYSA-N	1	1	378.394	4.427	20	30		GIEDMO
COc1ccc(C[N@@H+](C)Cc2cc(F)c(F)c(F)c2)cc1OCCCC#N	ZINC000181011180	821592043	/nfs/dbraw/zinc/59/20/43/821592043.db2.gz	NPYALFZEANBILT-UHFFFAOYSA-N	1	1	378.394	4.427	20	30		GIEDMO
N#CC1(C(=O)NC[C@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)CCCC1	ZINC000044553375	821608389	/nfs/dbraw/zinc/60/83/89/821608389.db2.gz	JPSVNMPOCWVFBU-LJQANCHMSA-N	1	1	379.529	4.048	20	30		GIEDMO
N#CC1(C(=O)NC[C@H](c2ccccc2)[N@H+]2CCc3sccc3C2)CCCC1	ZINC000044553375	821608392	/nfs/dbraw/zinc/60/83/92/821608392.db2.gz	JPSVNMPOCWVFBU-LJQANCHMSA-N	1	1	379.529	4.048	20	30		GIEDMO
C[C@H]([NH2+]C1[C@H](C)CN(Cc2ccccc2)C[C@H]1C)c1ccc(OCC#N)cc1	ZINC000181901706	822031696	/nfs/dbraw/zinc/03/16/96/822031696.db2.gz	SWYGFYYLUXESNY-AQNXPRMDSA-N	1	1	377.532	4.396	20	30		GIEDMO
CC(C)C[N@H+]1CC[C@@H](CNC(=O)c2ccccc2Oc2ccccc2C#N)C1	ZINC000182180514	822136030	/nfs/dbraw/zinc/13/60/30/822136030.db2.gz	NRDNWYMRLPYXGL-SFHVURJKSA-N	1	1	377.488	4.058	20	30		GIEDMO
COc1ccc(CN[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1OCCCC#N	ZINC000183102968	822424610	/nfs/dbraw/zinc/42/46/10/822424610.db2.gz	AYADZMQCQKYCCV-QUCCMNQESA-N	1	1	385.552	4.120	20	30		GIEDMO
COc1ccc(CN[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1OCCCC#N	ZINC000183102968	822424615	/nfs/dbraw/zinc/42/46/15/822424615.db2.gz	AYADZMQCQKYCCV-QUCCMNQESA-N	1	1	385.552	4.120	20	30		GIEDMO
C[C@@H]1CCC[N@@H+](CCNC(=O)c2ccccc2Sc2ccccc2C#N)C1	ZINC000046862278	822525110	/nfs/dbraw/zinc/52/51/10/822525110.db2.gz	PNAGDSMDUDWPGP-QGZVFWFLSA-N	1	1	379.529	4.171	20	30		GIEDMO
COc1cc(C[NH2+]C[C@@H](C)C#N)ccc1OCc1ccc(Br)cc1	ZINC000183819656	822531554	/nfs/dbraw/zinc/53/15/54/822531554.db2.gz	RFJRZBMJQJVUOJ-AWEZNQCLSA-N	1	1	389.293	4.286	20	30		GIEDMO
CC[C@H](c1ccncc1)[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCC2	ZINC000179707864	822531999	/nfs/dbraw/zinc/53/19/99/822531999.db2.gz	JCKPPLNMMOLUCC-GOSISDBHSA-N	1	1	382.533	4.305	20	30		GIEDMO
CC[C@H](c1ccncc1)[N@H+](C)CC(=O)Nc1ccccc1S[C@@H](C)CC#N	ZINC000179708213	822532192	/nfs/dbraw/zinc/53/21/92/822532192.db2.gz	UOGNQGHFCOVZMI-QFBILLFUSA-N	1	1	382.533	4.497	20	30		GIEDMO
CC[C@H](c1ccncc1)[N@@H+](C)CC(=O)Nc1ccccc1S[C@@H](C)CC#N	ZINC000179708213	822532193	/nfs/dbraw/zinc/53/21/93/822532193.db2.gz	UOGNQGHFCOVZMI-QFBILLFUSA-N	1	1	382.533	4.497	20	30		GIEDMO
CC[N@@H+](Cc1ccc(C(=O)N[C@@]2(C#N)CCc3ccccc3C2)cc1)C(C)C	ZINC000183963732	822554663	/nfs/dbraw/zinc/55/46/63/822554663.db2.gz	SXANJFBJRKEAOX-DEOSSOPVSA-N	1	1	375.516	4.098	20	30		GIEDMO
C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)C(C)(C)Cc2ccc(C#N)cc2)C1	ZINC000454961447	822563691	/nfs/dbraw/zinc/56/36/91/822563691.db2.gz	ZOGHGQDZYJFUJC-AVRDEDQJSA-N	1	1	375.516	4.079	20	30		GIEDMO
C[C@H](c1ccc(NC(=O)Nc2ccccc2O[C@@H](C)C#N)cc1)[NH+]1CCOCC1	ZINC000184020189	822565280	/nfs/dbraw/zinc/56/52/80/822565280.db2.gz	OYCFDGKCNOREQP-DLBZAZTESA-N	1	1	394.475	4.015	20	30		GIEDMO
COc1cccc(F)c1[C@H](C)[NH2+]CC(=O)N(CCC#N)c1cccc(C)c1C	ZINC000179917811	822576852	/nfs/dbraw/zinc/57/68/52/822576852.db2.gz	OUYMXKCZRFKEIG-KRWDZBQOSA-N	1	1	383.467	4.049	20	30		GIEDMO
C[C@@H](C#N)Oc1ccccc1NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1	ZINC000184301752	822611058	/nfs/dbraw/zinc/61/10/58/822611058.db2.gz	IOJFZMTZGYJECW-BJLQDIEVSA-N	1	1	392.503	4.152	20	30		GIEDMO
C[C@H](NC(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)c1ccc(C#N)cc1	ZINC000048825486	822684713	/nfs/dbraw/zinc/68/47/13/822684713.db2.gz	DJHIDRPSSRJZOX-MOPGFXCFSA-N	1	1	390.531	4.493	20	30		GIEDMO
C[C@@H](CCNC(=O)Nc1ccc(CC#N)cc1Cl)[N@@H+](C)Cc1ccccc1	ZINC000455702815	822706892	/nfs/dbraw/zinc/70/68/92/822706892.db2.gz	LNHJXMAKQPMRSX-INIZCTEOSA-N	1	1	384.911	4.438	20	30		GIEDMO
Cc1cnc([C@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C2CC2)s1	ZINC000185348460	822769192	/nfs/dbraw/zinc/76/91/92/822769192.db2.gz	PGUWJPFPVQWPMP-FXAWDEMLSA-N	1	1	396.560	4.444	20	30		GIEDMO
C[N@H+](CC(=O)N(CCC#N)c1ccccc1)Cc1cccc(C(F)(F)F)c1	ZINC000052048017	822789008	/nfs/dbraw/zinc/78/90/08/822789008.db2.gz	CMYHNRAVAKLUIE-UHFFFAOYSA-N	1	1	375.394	4.084	20	30		GIEDMO
C[N@@H+](CC(=O)N(CCC#N)c1ccccc1)Cc1cccc(C(F)(F)F)c1	ZINC000052048017	822789009	/nfs/dbraw/zinc/78/90/09/822789009.db2.gz	CMYHNRAVAKLUIE-UHFFFAOYSA-N	1	1	375.394	4.084	20	30		GIEDMO
CC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccccc2SCc2ccc(C#N)cc2)C1	ZINC000174464336	822793735	/nfs/dbraw/zinc/79/37/35/822793735.db2.gz	BNEOBTSFELSTNC-HXUWFJFHSA-N	1	1	393.556	4.264	20	30		GIEDMO
CC(C)c1[nH+]ccn1CCC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1	ZINC000174576200	822807147	/nfs/dbraw/zinc/80/71/47/822807147.db2.gz	ULVABMHDUPGTSA-UHFFFAOYSA-N	1	1	388.471	4.486	20	30		GIEDMO
COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1c1ccsc1	ZINC000052804143	822811087	/nfs/dbraw/zinc/81/10/87/822811087.db2.gz	UXJTYOVMKSJQDG-SJLPKXTDSA-N	1	1	383.517	4.229	20	30		GIEDMO
COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+]1CCC[C@@H]1c1ccsc1	ZINC000052804143	822811090	/nfs/dbraw/zinc/81/10/90/822811090.db2.gz	UXJTYOVMKSJQDG-SJLPKXTDSA-N	1	1	383.517	4.229	20	30		GIEDMO
C[C@@H](NCc1ccc(C#N)cc1Br)[C@H]1CCC[N@H+](C2CCC2)C1	ZINC000185769185	822819496	/nfs/dbraw/zinc/81/94/96/822819496.db2.gz	DOSFMGXKZKAVQU-PBHICJAKSA-N	1	1	376.342	4.063	20	30		GIEDMO
C[C@@H](NCc1ccc(C#N)cc1Br)[C@@H]1CCC[N@H+](C2CCC2)C1	ZINC000185769145	822819621	/nfs/dbraw/zinc/81/96/21/822819621.db2.gz	DOSFMGXKZKAVQU-RHSMWYFYSA-N	1	1	376.342	4.063	20	30		GIEDMO
C[N@H+](Cc1ccc(-c2ccccc2C#N)cc1)[C@@H]1CCCC[C@@H]1S(C)(=O)=O	ZINC000174783785	822836599	/nfs/dbraw/zinc/83/65/99/822836599.db2.gz	KWJXSWXARZJLTQ-YADHBBJMSA-N	1	1	382.529	4.013	20	30		GIEDMO
C[N@@H+](Cc1ccc(-c2ccccc2C#N)cc1)[C@@H]1CCCC[C@@H]1S(C)(=O)=O	ZINC000174783785	822836600	/nfs/dbraw/zinc/83/66/00/822836600.db2.gz	KWJXSWXARZJLTQ-YADHBBJMSA-N	1	1	382.529	4.013	20	30		GIEDMO
N#CCCn1cc(C(=O)C[N@H+](Cc2cccc(O)c2)CC2CC2)c2ccccc21	ZINC000174837204	822844229	/nfs/dbraw/zinc/84/42/29/822844229.db2.gz	UMUGQPHKZPRUNL-UHFFFAOYSA-N	1	1	387.483	4.355	20	30		GIEDMO
N#CCCn1cc(C(=O)C[N@@H+](Cc2cccc(O)c2)CC2CC2)c2ccccc21	ZINC000174837204	822844233	/nfs/dbraw/zinc/84/42/33/822844233.db2.gz	UMUGQPHKZPRUNL-UHFFFAOYSA-N	1	1	387.483	4.355	20	30		GIEDMO
Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCCC[C@@H]2c2cccn2C)c1C	ZINC000175115431	822885033	/nfs/dbraw/zinc/88/50/33/822885033.db2.gz	UUPWJQCWBNAZQP-JOCHJYFZSA-N	1	1	378.520	4.116	20	30		GIEDMO
Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCCC[C@@H]2c2cccn2C)c1C	ZINC000175115431	822885037	/nfs/dbraw/zinc/88/50/37/822885037.db2.gz	UUPWJQCWBNAZQP-JOCHJYFZSA-N	1	1	378.520	4.116	20	30		GIEDMO
Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCCC[C@H]2c2cccn2C)c1C	ZINC000175115447	822885088	/nfs/dbraw/zinc/88/50/88/822885088.db2.gz	UUPWJQCWBNAZQP-QFIPXVFZSA-N	1	1	378.520	4.116	20	30		GIEDMO
Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCCC[C@H]2c2cccn2C)c1C	ZINC000175115447	822885094	/nfs/dbraw/zinc/88/50/94/822885094.db2.gz	UUPWJQCWBNAZQP-QFIPXVFZSA-N	1	1	378.520	4.116	20	30		GIEDMO
C=C(C)[C@@H]([NH2+][C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1)c1ccc(F)c(F)c1	ZINC000186446755	822896988	/nfs/dbraw/zinc/89/69/88/822896988.db2.gz	BWUHNXJLQKWNRD-HXPMCKFVSA-N	1	1	383.435	4.475	20	30		GIEDMO
CN(CC[N@@H+](C)C1CC1)C(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1	ZINC000186725848	822945449	/nfs/dbraw/zinc/94/54/49/822945449.db2.gz	YMWRXNTXEPBKGE-UHFFFAOYSA-N	1	1	383.879	4.170	20	30		GIEDMO
Cc1[nH+]ccn1C[C@H](C)CNC(=O)c1ccc(Sc2ccccc2C#N)cc1	ZINC000175379493	822952238	/nfs/dbraw/zinc/95/22/38/822952238.db2.gz	ISKJSKCBOGBPOC-MRXNPFEDSA-N	1	1	390.512	4.281	20	30		GIEDMO
N#CCCC1CC[NH+](Cc2nc(-c3ccc(Br)s3)no2)CC1	ZINC000569689264	822955676	/nfs/dbraw/zinc/95/56/76/822955676.db2.gz	DWXBAKFZHKLAGF-UHFFFAOYSA-N	1	1	381.299	4.076	20	30		GIEDMO
C=CCn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)[C@H]1CC[N@H+](C2CC2)C1	ZINC000569742503	822962052	/nfs/dbraw/zinc/96/20/52/822962052.db2.gz	GZHRKHPSSKIVRJ-HNNXBMFYSA-N	1	1	392.334	4.111	20	30		GIEDMO
C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CC[N@H+]1C	ZINC000175572535	823000097	/nfs/dbraw/zinc/00/00/97/823000097.db2.gz	LTBWKSOBQKFLPT-APWZRJJASA-N	1	1	378.476	4.297	20	30		GIEDMO
CCOc1ccc(C#N)cc1NC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1	ZINC000175621125	823008162	/nfs/dbraw/zinc/00/81/62/823008162.db2.gz	LSNNFZDGDLFXSO-UZLBHIALSA-N	1	1	398.532	4.223	20	30		GIEDMO
C[N@H+]1CCC[C@H](CNC(=O)Nc2ccc(Sc3ccccc3C#N)cc2)C1	ZINC000570138774	823009635	/nfs/dbraw/zinc/00/96/35/823009635.db2.gz	IOXGNBQOXMPKRF-MRXNPFEDSA-N	1	1	380.517	4.173	20	30		GIEDMO
C=CCn1c(-c2ccoc2)nnc1N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1	ZINC000570203899	823015070	/nfs/dbraw/zinc/01/50/70/823015070.db2.gz	NNOWNQWBCHQLEO-WIYYLYMNSA-N	1	1	391.519	4.213	20	30		GIEDMO
Cc1ccc(C#N)cc1NC(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1	ZINC000175745290	823030881	/nfs/dbraw/zinc/03/08/81/823030881.db2.gz	CWNWXXYMUWWBAU-UHFFFAOYSA-N	1	1	388.471	4.413	20	30		GIEDMO
Cc1ccc(C#N)cc1NC(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1	ZINC000175745290	823030886	/nfs/dbraw/zinc/03/08/86/823030886.db2.gz	CWNWXXYMUWWBAU-UHFFFAOYSA-N	1	1	388.471	4.413	20	30		GIEDMO
C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1ccccc1OCc1ccncc1	ZINC000570484686	823044488	/nfs/dbraw/zinc/04/44/88/823044488.db2.gz	IGOWDXDKQSBJFY-UHFFFAOYSA-N	1	1	378.472	4.324	20	30		GIEDMO
C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ccccc1OCc1ccncc1	ZINC000570484686	823044490	/nfs/dbraw/zinc/04/44/90/823044490.db2.gz	IGOWDXDKQSBJFY-UHFFFAOYSA-N	1	1	378.472	4.324	20	30		GIEDMO
N#Cc1cc(F)ccc1NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1	ZINC000177923055	823546776	/nfs/dbraw/zinc/54/67/76/823546776.db2.gz	KOXWGLWOTXSTSG-IHWFROFDSA-N	1	1	378.451	4.014	20	30		GIEDMO
C=C(C)Cn1c(CSc2ccc(C)cc2)nnc1N(C)[C@H]1CC[N@H+](C2CC2)C1	ZINC000460963579	823551807	/nfs/dbraw/zinc/55/18/07/823551807.db2.gz	YTWAFYLQRHKAEI-IBGZPJMESA-N	1	1	397.592	4.128	20	30		GIEDMO
CC(C)[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2)Cc1cccnc1	ZINC000411408151	823571000	/nfs/dbraw/zinc/57/10/00/823571000.db2.gz	LVRLKUHAMSHYKV-INIZCTEOSA-N	1	1	396.560	4.379	20	30		GIEDMO
C[C@@H](CCC#N)[N@@H+](C)Cc1cccc(Br)c1OC[C@@H]1CCCO1	ZINC000411607292	823590524	/nfs/dbraw/zinc/59/05/24/823590524.db2.gz	CRVSQJICNVMOAU-HOCLYGCPSA-N	1	1	381.314	4.131	20	30		GIEDMO
C[C@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cc(Cl)sc1Cl	ZINC000190606810	823590995	/nfs/dbraw/zinc/59/09/95/823590995.db2.gz	BUVFVSUPZDQMRP-XHDPSFHLSA-N	1	1	394.327	4.378	20	30		GIEDMO
C[C@@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(Cl)cc1Cl	ZINC000190619496	823592343	/nfs/dbraw/zinc/59/23/43/823592343.db2.gz	IMKAOKSBGUBFTP-YJYMSZOUSA-N	1	1	388.298	4.317	20	30		GIEDMO
C[C@@H]1C[C@@H](CCNC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)C[N@H+]1Cc1ccccc1	ZINC000412200377	823634908	/nfs/dbraw/zinc/63/49/08/823634908.db2.gz	AYAJKHKPHUBJFW-OLOOCYQZSA-N	1	1	387.527	4.079	20	30		GIEDMO
N#Cc1c(NC(=O)CC[N@H+]2CCC[C@@H]2c2ccc[nH]2)sc2c1CCCCC2	ZINC000125345597	823669689	/nfs/dbraw/zinc/66/96/89/823669689.db2.gz	JFNUPFVSONDTEQ-GOSISDBHSA-N	1	1	382.533	4.382	20	30		GIEDMO
N#CCc1ccc(NC(=O)C[NH2+]C(c2ccc(F)cc2)c2ccc(F)cc2)cc1	ZINC000063471116	823674260	/nfs/dbraw/zinc/67/42/60/823674260.db2.gz	IFNQWEKCGCWKAF-UHFFFAOYSA-N	1	1	391.421	4.349	20	30		GIEDMO
C[C@@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(OC2CCCCC2)CC1	ZINC000125488651	823680292	/nfs/dbraw/zinc/68/02/92/823680292.db2.gz	HGRHDSKATGVULR-IBGZPJMESA-N	1	1	383.536	4.135	20	30		GIEDMO
N#Cc1cnc(NC2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)c(F)c1	ZINC000413062520	823702536	/nfs/dbraw/zinc/70/25/36/823702536.db2.gz	BNSQESOZANDVQE-UHFFFAOYSA-N	1	1	378.373	4.188	20	30		GIEDMO
N#Cc1ncc(C(F)(F)F)cc1N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1	ZINC000413278619	823743999	/nfs/dbraw/zinc/74/39/99/823743999.db2.gz	GTNICBVRZKEABB-FQEVSTJZSA-N	1	1	386.421	4.074	20	30		GIEDMO
CC(C)[N@H+](Cc1ccc(NC(=O)N[C@@H]2CCC[C@H]2C#N)cc1)C[C@@H]1CCCCO1	ZINC000461928040	823760065	/nfs/dbraw/zinc/76/00/65/823760065.db2.gz	PHLFZVLWCJTUGE-ILWGZMRPSA-N	1	1	398.551	4.280	20	30		GIEDMO
C=CCc1cc(C[N@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)c(O)c(OC)c1	ZINC000164344298	823797275	/nfs/dbraw/zinc/79/72/75/823797275.db2.gz	FLSWRRIGSSZRFM-UHFFFAOYSA-N	1	1	383.332	4.446	20	30		GIEDMO
C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1ccc(C(=O)Nc2ccccc2)cc1	ZINC000574674884	823797376	/nfs/dbraw/zinc/79/73/76/823797376.db2.gz	AWRKSGZPXJIFFK-UHFFFAOYSA-N	1	1	399.494	4.459	20	30		GIEDMO
CCCCNc1ccccc1C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000126161762	823803162	/nfs/dbraw/zinc/80/31/62/823803162.db2.gz	HCNLIKWIBHDJOU-UHFFFAOYSA-N	1	1	390.531	4.118	20	30		GIEDMO
CCCCNc1ccccc1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000126161762	823803175	/nfs/dbraw/zinc/80/31/75/823803175.db2.gz	HCNLIKWIBHDJOU-UHFFFAOYSA-N	1	1	390.531	4.118	20	30		GIEDMO
C[N@H+](CCC(F)(F)F)[C@@H](CNC(=O)CCCC#N)c1ccc(Cl)cc1	ZINC000462389317	823955726	/nfs/dbraw/zinc/95/57/26/823955726.db2.gz	BYXYLZLHRVJAEN-HNNXBMFYSA-N	1	1	375.822	4.075	20	30		GIEDMO
C[N@@H+](CCC(F)(F)F)[C@@H](CNC(=O)CCCC#N)c1ccc(Cl)cc1	ZINC000462389317	823955738	/nfs/dbraw/zinc/95/57/38/823955738.db2.gz	BYXYLZLHRVJAEN-HNNXBMFYSA-N	1	1	375.822	4.075	20	30		GIEDMO
C=CCc1cc(C[N@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)cc(OC)c1O	ZINC000414562594	824013682	/nfs/dbraw/zinc/01/36/82/824013682.db2.gz	UAFJNXPBZRKWID-QHCPKHFHSA-N	1	1	379.500	4.483	20	30		GIEDMO
C=C(C)COc1cc(C[N@@H+](C)[C@@H](C)c2ccc(-n3cncn3)cc2)ccc1OC	ZINC000127133060	824023661	/nfs/dbraw/zinc/02/36/61/824023661.db2.gz	FWDFCECFXPZTNV-SFHVURJKSA-N	1	1	392.503	4.424	20	30		GIEDMO
CCc1nc(C)c([C@H](C)[N@H+](C)[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)s1	ZINC000192601400	824043239	/nfs/dbraw/zinc/04/32/39/824043239.db2.gz	UCODHBATMSOINB-MAUKXSAKSA-N	1	1	382.533	4.074	20	30		GIEDMO
CCc1nc(C)c([C@H](C)[N@@H+](C)[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)s1	ZINC000192601400	824043243	/nfs/dbraw/zinc/04/32/43/824043243.db2.gz	UCODHBATMSOINB-MAUKXSAKSA-N	1	1	382.533	4.074	20	30		GIEDMO
Cc1cnccc1OC1CC[NH+](Cc2ccc(C#N)cc2C(F)(F)F)CC1	ZINC000576037683	824055489	/nfs/dbraw/zinc/05/54/89/824055489.db2.gz	RQULJAYDNIZXGH-UHFFFAOYSA-N	1	1	375.394	4.324	20	30		GIEDMO
Cc1[nH+]cc2n1CCN(C(F)(F)c1cnc(Cl)c(-c3ccc(C#N)cc3)c1)C2	ZINC001164450005	718992917	/nfs/dbraw/zinc/99/29/17/718992917.db2.gz	PSUVFWQUGBGLFT-UHFFFAOYSA-N	1	1	399.832	4.344	20	30		GIEDMO
N#Cc1cc(N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)nc2ccc(Cl)cc12	ZINC001164726931	720471570	/nfs/dbraw/zinc/47/15/70/720471570.db2.gz	MZSHKVDKWJONAI-RTWAWAEBSA-N	1	1	389.890	4.008	20	30		GIEDMO
N#Cc1cc(N2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccnc2)nc2ccc(Cl)cc12	ZINC001164726918	720472600	/nfs/dbraw/zinc/47/26/00/720472600.db2.gz	MZSHKVDKWJONAI-LEWJYISDSA-N	1	1	389.890	4.008	20	30		GIEDMO
Cc1nc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c(Cl)cc1C#N	ZINC001165018758	721830909	/nfs/dbraw/zinc/83/09/09/721830909.db2.gz	AEVDWKAVZFSIDB-LDQXTDLNSA-N	1	1	395.938	4.047	20	30		GIEDMO
Cc1ccc(NC(=O)NC[C@@H]2CCC[N@H+]([C@@H](C)c3cccc(C#N)c3)C2)cc1	ZINC000187666251	823109339	/nfs/dbraw/zinc/10/93/39/823109339.db2.gz	RUBIDXONUDGCAG-ICSRJNTNSA-N	1	1	376.504	4.461	20	30		GIEDMO
CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc(Sc3ccccc3C#N)cc2)C1	ZINC000176084876	823115446	/nfs/dbraw/zinc/11/54/46/823115446.db2.gz	WUKUEJHRHAHRIZ-KRWDZBQOSA-N	1	1	379.529	4.123	20	30		GIEDMO
C[C@@H]1C[C@@H](NC(=O)c2cccc(SCC#N)c2)CC[N@H+]1Cc1ccccc1	ZINC000176099619	823119936	/nfs/dbraw/zinc/11/99/36/823119936.db2.gz	CVWXFPCTBSWZJW-XLIONFOSSA-N	1	1	379.529	4.085	20	30		GIEDMO
CCOc1c(Br)cc(C[NH+]2CCC(CCC#N)CC2)cc1OC	ZINC000571047554	823124960	/nfs/dbraw/zinc/12/49/60/823124960.db2.gz	CQUGSRXBXQUXBE-UHFFFAOYSA-N	1	1	381.314	4.372	20	30		GIEDMO
CCCC[N@@H+](C)CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C2CC2)CC1	ZINC000571052975	823125618	/nfs/dbraw/zinc/12/56/18/823125618.db2.gz	GMRGZMBHRYFABL-UHFFFAOYSA-N	1	1	392.551	4.100	20	30		GIEDMO
C=C(C)[C@@H]([NH2+][C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(F)c(F)c1	ZINC000187759639	823127210	/nfs/dbraw/zinc/12/72/10/823127210.db2.gz	XNYGQFVSFGVYEI-KZULUSFZSA-N	1	1	375.375	4.107	20	30		GIEDMO
N#CC[C@H](CC(=O)NC[C@H]([NH2+]Cc1ccccc1)c1ccco1)c1ccccc1	ZINC000571067228	823127229	/nfs/dbraw/zinc/12/72/29/823127229.db2.gz	CGLOGSNNPCQZMB-YADHBBJMSA-N	1	1	387.483	4.314	20	30		GIEDMO
C[C@@H](C#N)Oc1ccccc1NC(=O)NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1	ZINC000187797935	823135376	/nfs/dbraw/zinc/13/53/76/823135376.db2.gz	ZTJVJKDDQDXYMI-UWJYYQICSA-N	1	1	392.503	4.010	20	30		GIEDMO
C=C(C)[C@H]([NH2+][C@@H](C)C(=O)N1CCc2sccc2C1)c1ccc(F)c(F)c1	ZINC000187792892	823134165	/nfs/dbraw/zinc/13/41/65/823134165.db2.gz	HYROCTZNJIJSCJ-DJJJIMSYSA-N	1	1	376.472	4.207	20	30		GIEDMO
C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)cc1	ZINC000176155055	823138161	/nfs/dbraw/zinc/13/81/61/823138161.db2.gz	STIFSMSQIWEPBK-FQEVSTJZSA-N	1	1	395.547	4.094	20	30		GIEDMO
C=CCn1c(-c2ccccc2OC)nn(C[NH+]2C[C@H]3CCCC[C@@H]3C2)c1=S	ZINC000176193190	823149651	/nfs/dbraw/zinc/14/96/51/823149651.db2.gz	FXBTUZNEGCSTFY-IAGOWNOFSA-N	1	1	384.549	4.355	20	30		GIEDMO
COc1cc(C#N)ccc1C[N@H+]1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1	ZINC000121356534	823169713	/nfs/dbraw/zinc/16/97/13/823169713.db2.gz	RGCWATLGPHWBAG-GOSISDBHSA-N	1	1	392.434	4.136	20	30		GIEDMO
COc1cc(C#N)ccc1C[N@H+]1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1	ZINC000121356355	823169733	/nfs/dbraw/zinc/16/97/33/823169733.db2.gz	RGCWATLGPHWBAG-SFHVURJKSA-N	1	1	392.434	4.136	20	30		GIEDMO
C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1CC(=O)Nc1ccccc1SCC#N	ZINC000121471442	823190655	/nfs/dbraw/zinc/19/06/55/823190655.db2.gz	PDYGRIUTVHAXOB-WBVHZDCISA-N	1	1	383.492	4.258	20	30		GIEDMO
C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1CC(=O)Nc1ccccc1SCC#N	ZINC000121471442	823190657	/nfs/dbraw/zinc/19/06/57/823190657.db2.gz	PDYGRIUTVHAXOB-WBVHZDCISA-N	1	1	383.492	4.258	20	30		GIEDMO
C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1CC(=O)Nc1ccccc1SCC#N	ZINC000121471864	823190987	/nfs/dbraw/zinc/19/09/87/823190987.db2.gz	PDYGRIUTVHAXOB-DOTOQJQBSA-N	1	1	383.492	4.258	20	30		GIEDMO
C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1CC(=O)Nc1ccccc1SCC#N	ZINC000121471864	823190989	/nfs/dbraw/zinc/19/09/89/823190989.db2.gz	PDYGRIUTVHAXOB-DOTOQJQBSA-N	1	1	383.492	4.258	20	30		GIEDMO
C[N@H+]1CCC[C@H](CNC[C@@H](C#N)CCC#N)[C@@H]1c1ccc(C(F)(F)F)cc1	ZINC000571599368	823205830	/nfs/dbraw/zinc/20/58/30/823205830.db2.gz	XNVSVNIRVHLFFQ-SUMDDJOVSA-N	1	1	378.442	4.121	20	30		GIEDMO
CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1	ZINC000571697361	823220940	/nfs/dbraw/zinc/22/09/40/823220940.db2.gz	XVJXBGOEYBHISC-YOEHRIQHSA-N	1	1	381.442	4.094	20	30		GIEDMO
C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3ccn(-c4cccc(C#N)c4)n3)cc2)C1	ZINC000409460979	823224861	/nfs/dbraw/zinc/22/48/61/823224861.db2.gz	LGTUYQNIYNDLDT-SFHVURJKSA-N	1	1	399.498	4.228	20	30		GIEDMO
N#CC1CCC(CNC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)CC1	ZINC000572202016	823299102	/nfs/dbraw/zinc/29/91/02/823299102.db2.gz	RHEVWFYTRLSBKY-AEDUHMMZSA-N	1	1	394.563	4.012	20	30		GIEDMO
CCOc1ccc(C[N@H+](C)CC(=O)N(CCC#N)c2cc(C)cc(C)c2)cc1	ZINC000015293377	818307257	/nfs/dbraw/zinc/30/72/57/818307257.db2.gz	OSIPKSFWCYZWAQ-UHFFFAOYSA-N	1	1	379.504	4.081	20	30		GIEDMO
CCOc1ccc(C[N@@H+](C)CC(=O)N(CCC#N)c2cc(C)cc(C)c2)cc1	ZINC000015293377	818307264	/nfs/dbraw/zinc/30/72/64/818307264.db2.gz	OSIPKSFWCYZWAQ-UHFFFAOYSA-N	1	1	379.504	4.081	20	30		GIEDMO
Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH+]2CCC3(CCCC3)CC2)c1C#N	ZINC000572409383	823334123	/nfs/dbraw/zinc/33/41/23/823334123.db2.gz	KWXUHDUUJJRFDI-UHFFFAOYSA-N	1	1	394.519	4.213	20	30		GIEDMO
Cc1cccc(C)c1NC(=S)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000017517664	818517846	/nfs/dbraw/zinc/51/78/46/818517846.db2.gz	JVODJOUKHKJQBN-UHFFFAOYSA-N	1	1	378.545	4.080	20	30		GIEDMO
C=C(C)Cn1c(C2CC2)nnc1N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1	ZINC000460371830	823367366	/nfs/dbraw/zinc/36/73/66/823367366.db2.gz	WHYYPMPOUUFHII-UHFFFAOYSA-N	1	1	385.943	4.097	20	30		GIEDMO
N#Cc1ccc(OC2CC[NH+](Cc3c(F)cccc3N3CCCC3)CC2)c(F)c1	ZINC000572887054	823413955	/nfs/dbraw/zinc/41/39/55/823413955.db2.gz	ISFIEWGLEJHCNF-UHFFFAOYSA-N	1	1	397.469	4.480	20	30		GIEDMO
CCc1[nH+]ccn1[C@H]1CCCN(c2c(C#N)cnc3c(F)ccc(Cl)c32)C1	ZINC000122911549	823432974	/nfs/dbraw/zinc/43/29/74/823432974.db2.gz	SQUPMDSSUIYEES-AWEZNQCLSA-N	1	1	383.858	4.499	20	30		GIEDMO
Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+](C)[C@H]2CCC[C@H](C)C2)c1C#N	ZINC000026472715	820101460	/nfs/dbraw/zinc/10/14/60/820101460.db2.gz	QJEBMEXKLBDPED-YJBOKZPZSA-N	1	1	382.508	4.067	20	30		GIEDMO
CC[NH+](CC)Cc1ccccc1CN[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000028899214	820369036	/nfs/dbraw/zinc/36/90/36/820369036.db2.gz	XVUITSGMFYMRAU-MRXNPFEDSA-N	1	1	398.938	4.170	20	30		GIEDMO
FC(F)C(F)(F)COCC[N@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1	ZINC000189727058	823483125	/nfs/dbraw/zinc/48/31/25/823483125.db2.gz	KPBLWKDHCYIYDF-SECBINFHSA-N	1	1	394.356	4.258	20	30		GIEDMO
N#Cc1ccc(CN2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)c(F)c1	ZINC000029632635	820488465	/nfs/dbraw/zinc/48/84/65/820488465.db2.gz	HTJIOIBWULVYNC-UHFFFAOYSA-N	1	1	377.385	4.034	20	30		GIEDMO
CC(=O)c1c(C)cc(C)c(C[NH+]2CCN(c3cccc(F)c3C#N)CC2)c1C	ZINC000029857570	820533358	/nfs/dbraw/zinc/53/33/58/820533358.db2.gz	LLARUTOJMNUETC-UHFFFAOYSA-N	1	1	379.479	4.147	20	30		GIEDMO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3cc4ccc(F)cc4s3)CC2)cc1	ZINC000029984850	820561442	/nfs/dbraw/zinc/56/14/42/820561442.db2.gz	GPPXMOICAADGDA-UHFFFAOYSA-N	1	1	393.487	4.260	20	30		GIEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cc4ccc(F)cc4s3)CC2)cc1	ZINC000029984850	820561447	/nfs/dbraw/zinc/56/14/47/820561447.db2.gz	GPPXMOICAADGDA-UHFFFAOYSA-N	1	1	393.487	4.260	20	30		GIEDMO
CCCCc1ccc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1	ZINC000029985215	820561481	/nfs/dbraw/zinc/56/14/81/820561481.db2.gz	DGZTUBYQXWPZEA-UHFFFAOYSA-N	1	1	375.516	4.249	20	30		GIEDMO
CCCCc1ccc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1	ZINC000029985215	820561486	/nfs/dbraw/zinc/56/14/86/820561486.db2.gz	DGZTUBYQXWPZEA-UHFFFAOYSA-N	1	1	375.516	4.249	20	30		GIEDMO
COc1ccc(/C=C/C(=O)c2ccc(-n3cc[nH+]c3C)cc2)c(OC)c1OC	ZINC000177616786	823501872	/nfs/dbraw/zinc/50/18/72/823501872.db2.gz	WPGQLNXQTRAOAS-YRNVUSSQSA-N	1	1	378.428	4.103	20	30		GIEDMO
C=C(C)Cn1c(COc2cccc(C)c2)nnc1N(C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1	ZINC000460795061	823514386	/nfs/dbraw/zinc/51/43/86/823514386.db2.gz	RJNBCTDXVQKPIW-VQTJNVASSA-N	1	1	397.567	4.051	20	30		GIEDMO
C[C@@H](CNC(=O)c1ccc(OCc2ccccc2C#N)cc1)[N@H+]1CCCC[C@H]1C	ZINC000032737368	821001062	/nfs/dbraw/zinc/00/10/62/821001062.db2.gz	PJRQIEPGBKYILG-MOPGFXCFSA-N	1	1	391.515	4.130	20	30		GIEDMO
C/C=C/c1ccc(OC[C@H](O)C[N@H+](CC)[C@H](C)c2ccc(C#N)cc2)c(OC)c1	ZINC000060469297	823531475	/nfs/dbraw/zinc/53/14/75/823531475.db2.gz	GAVXINGKNKOXRR-NTPDFONASA-N	1	1	394.515	4.423	20	30		GIEDMO
CCOc1ccc(NC(=O)C[N@H+](CC)[C@H](C)c2ccc(C#N)cc2)cc1OCC	ZINC000060477570	823532582	/nfs/dbraw/zinc/53/25/82/823532582.db2.gz	DUTHSRCGTBCNTB-QGZVFWFLSA-N	1	1	395.503	4.377	20	30		GIEDMO
CCOc1ccc(NC(=O)C[N@@H+](CC)[C@H](C)c2ccc(C#N)cc2)cc1OCC	ZINC000060477570	823532584	/nfs/dbraw/zinc/53/25/84/823532584.db2.gz	DUTHSRCGTBCNTB-QGZVFWFLSA-N	1	1	395.503	4.377	20	30		GIEDMO
C=CCOc1ccc(C[N@@H+](Cc2cc(=O)n3ccsc3n2)C(C)(C)C)cc1	ZINC000177847468	823535697	/nfs/dbraw/zinc/53/56/97/823535697.db2.gz	XMJNNAXNKQXQIX-UHFFFAOYSA-N	1	1	383.517	4.122	20	30		GIEDMO
COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CCC[C@@H]1c1cccs1	ZINC000042356200	821304155	/nfs/dbraw/zinc/30/41/55/821304155.db2.gz	LGZQXWHSHXJLDW-FUHWJXTLSA-N	1	1	383.517	4.229	20	30		GIEDMO
COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1CCC[C@@H]1c1cccs1	ZINC000042356200	821304164	/nfs/dbraw/zinc/30/41/64/821304164.db2.gz	LGZQXWHSHXJLDW-FUHWJXTLSA-N	1	1	383.517	4.229	20	30		GIEDMO
Cc1cccc(C2(C(=O)N3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)CCC2)c1	ZINC000042697231	821325021	/nfs/dbraw/zinc/32/50/21/821325021.db2.gz	JHMLMAAJKLYOPA-UHFFFAOYSA-N	1	1	387.527	4.023	20	30		GIEDMO
Cc1cccc(C2(C(=O)N3CCC[N@@H+](Cc4ccc(C#N)cc4)CC3)CCC2)c1	ZINC000042697231	821325031	/nfs/dbraw/zinc/32/50/31/821325031.db2.gz	JHMLMAAJKLYOPA-UHFFFAOYSA-N	1	1	387.527	4.023	20	30		GIEDMO
CC[N@H+](CC(=O)Nc1ccccc1Br)[C@H](C)c1ccc(C#N)cc1	ZINC000042741809	821329081	/nfs/dbraw/zinc/32/90/81/821329081.db2.gz	AIHMVFJYXFLVCL-CQSZACIVSA-N	1	1	386.293	4.342	20	30		GIEDMO
CC[N@@H+](CC(=O)Nc1ccccc1Br)[C@H](C)c1ccc(C#N)cc1	ZINC000042741809	821329085	/nfs/dbraw/zinc/32/90/85/821329085.db2.gz	AIHMVFJYXFLVCL-CQSZACIVSA-N	1	1	386.293	4.342	20	30		GIEDMO
C[C@@H](NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)c1cccc(Cl)c1	ZINC000043183332	821375878	/nfs/dbraw/zinc/37/58/78/821375878.db2.gz	FJWCPBQQDIXKSD-QGZVFWFLSA-N	1	1	396.922	4.190	20	30		GIEDMO
CC(C)(C)[N@@H+]1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)[C@@H]1c1ccc(Cl)c(F)c1	ZINC000181273914	821727650	/nfs/dbraw/zinc/72/76/50/821727650.db2.gz	QLXJZXDXMSWHGR-ROUUACIJSA-N	1	1	388.874	4.023	20	30		GIEDMO
CC(C)(C)[N@H+]1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)[C@@H]1c1ccc(Cl)c(F)c1	ZINC000181273914	821727653	/nfs/dbraw/zinc/72/76/53/821727653.db2.gz	QLXJZXDXMSWHGR-ROUUACIJSA-N	1	1	388.874	4.023	20	30		GIEDMO
N#CC1(c2ccc(C(=O)N3CC[NH+](Cc4cccc5ccccc54)CC3)cc2)CC1	ZINC000181417448	821814792	/nfs/dbraw/zinc/81/47/92/821814792.db2.gz	TUDRQZHZHUHWGN-UHFFFAOYSA-N	1	1	395.506	4.353	20	30		GIEDMO
C=CCOc1ccc(/C=C/C(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1OC	ZINC000181534907	821871320	/nfs/dbraw/zinc/87/13/20/821871320.db2.gz	UXGSVRFCNBGKHK-FFZDDMFNSA-N	1	1	398.547	4.042	20	30		GIEDMO
N#Cc1ccc(CN2CCC([NH2+]Cc3csc(-c4ccco4)n3)CC2)cc1	ZINC000181910269	822034615	/nfs/dbraw/zinc/03/46/15/822034615.db2.gz	HQTWMKDUULZSOC-UHFFFAOYSA-N	1	1	378.501	4.029	20	30		GIEDMO
CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)NCCCCC#N)[C@@H]1c1ccc(Cl)c(F)c1	ZINC000182513621	822277115	/nfs/dbraw/zinc/27/71/15/822277115.db2.gz	GBLSKZUUCGMDHD-MSOLQXFVSA-N	1	1	394.922	4.386	20	30		GIEDMO
CC(C)(C)[N@H+]1CC[C@@H](NC(=O)NCCCCC#N)[C@@H]1c1ccc(Cl)c(F)c1	ZINC000182513621	822277123	/nfs/dbraw/zinc/27/71/23/822277123.db2.gz	GBLSKZUUCGMDHD-MSOLQXFVSA-N	1	1	394.922	4.386	20	30		GIEDMO
C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N(C)Cc1cccc(C#N)c1	ZINC000045780736	822413072	/nfs/dbraw/zinc/41/30/72/822413072.db2.gz	KLMWSXMRCPINRK-LJQANCHMSA-N	1	1	390.531	4.274	20	30		GIEDMO
C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N(C)Cc2cccc(C#N)c2)C1	ZINC000045789354	822413991	/nfs/dbraw/zinc/41/39/91/822413991.db2.gz	BMQCUNGLYUEXOK-IBGZPJMESA-N	1	1	390.531	4.132	20	30		GIEDMO
C=CCOc1ccc(C(=O)NCc2ccccc2C[N@@H+](C)C(C)C)cc1OC	ZINC000046809269	822519705	/nfs/dbraw/zinc/51/97/05/822519705.db2.gz	IRKSLAZMYXWSMJ-UHFFFAOYSA-N	1	1	382.504	4.030	20	30		GIEDMO
COc1ccc(C[NH+]2CCN(c3ccccc3C)CC2)cc1OCCCC#N	ZINC000179681021	822526108	/nfs/dbraw/zinc/52/61/08/822526108.db2.gz	ORDSKURATWYFKN-UHFFFAOYSA-N	1	1	379.504	4.008	20	30		GIEDMO
CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)C(C)(C)Cc1ccc(C#N)cc1	ZINC000454764007	822529991	/nfs/dbraw/zinc/52/99/91/822529991.db2.gz	DTDQIOAVOAPQJE-UHFFFAOYSA-N	1	1	377.532	4.284	20	30		GIEDMO
CC[C@@H](c1ccncc1)[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCC2	ZINC000179707849	822531953	/nfs/dbraw/zinc/53/19/53/822531953.db2.gz	JCKPPLNMMOLUCC-SFHVURJKSA-N	1	1	382.533	4.305	20	30		GIEDMO
COc1ccc(Cl)cc1C[N@H+](C)Cc1cn(C)nc1-c1ccc(C#N)cc1	ZINC000179890623	822572249	/nfs/dbraw/zinc/57/22/49/822572249.db2.gz	ZABSSJHTQYIBPL-UHFFFAOYSA-N	1	1	380.879	4.253	20	30		GIEDMO
COc1ccc(Cl)cc1C[N@@H+](C)Cc1cn(C)nc1-c1ccc(C#N)cc1	ZINC000179890623	822572254	/nfs/dbraw/zinc/57/22/54/822572254.db2.gz	ZABSSJHTQYIBPL-UHFFFAOYSA-N	1	1	380.879	4.253	20	30		GIEDMO
Cn1cc(C[N@@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)c(-c2ccc(C#N)cc2)n1	ZINC000179935175	822580353	/nfs/dbraw/zinc/58/03/53/822580353.db2.gz	LREWLQMPIGZUDN-NRFANRHFSA-N	1	1	392.890	4.186	20	30		GIEDMO
Cn1cc(C[N@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)c(-c2ccc(C#N)cc2)n1	ZINC000179935175	822580357	/nfs/dbraw/zinc/58/03/57/822580357.db2.gz	LREWLQMPIGZUDN-NRFANRHFSA-N	1	1	392.890	4.186	20	30		GIEDMO
C=CCC[C@H]([NH2+]Cc1nc2cc(S(=O)(=O)CC)ccc2o1)c1ccccc1	ZINC000180042471	822603112	/nfs/dbraw/zinc/60/31/12/822603112.db2.gz	NGRANUCNVLZBFA-SFHVURJKSA-N	1	1	384.501	4.419	20	30		GIEDMO
C=CCC[C@@H]([NH2+]Cc1nnnn1-c1ccc(C(F)(F)F)cc1)c1ccccc1	ZINC000180050095	822604455	/nfs/dbraw/zinc/60/44/55/822604455.db2.gz	XVNHDELEYMSAJC-GOSISDBHSA-N	1	1	387.409	4.478	20	30		GIEDMO
Cn1cc(C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)c(-c2ccc(C#N)cc2)n1	ZINC000180068015	822608517	/nfs/dbraw/zinc/60/85/17/822608517.db2.gz	XECITVITSPEFHA-FQEVSTJZSA-N	1	1	386.455	4.025	20	30		GIEDMO
Cn1cc(C[N@@H+](C)[C@@H]2CCCN(c3ccccc3)C2)c(-c2ccc(C#N)cc2)n1	ZINC000180174145	822632389	/nfs/dbraw/zinc/63/23/89/822632389.db2.gz	YLTGSENIIJLBBZ-HSZRJFAPSA-N	1	1	385.515	4.060	20	30		GIEDMO
CN(C(=O)C[NH2+][C@H](CC(F)(F)F)c1ccc(F)cc1)C1(C#N)CCCCC1	ZINC000180559248	822702348	/nfs/dbraw/zinc/70/23/48/822702348.db2.gz	IUCYXHMQKQFDPL-MRXNPFEDSA-N	1	1	385.405	4.094	20	30		GIEDMO
C[C@@H](NC(=O)Nc1ccc(CC#N)cc1Cl)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000455696902	822705030	/nfs/dbraw/zinc/70/50/30/822705030.db2.gz	DCEUBNHNSFPMEM-APWZRJJASA-N	1	1	396.922	4.438	20	30		GIEDMO
C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Nc1ccc(CC#N)cc1Cl	ZINC000455697257	822705317	/nfs/dbraw/zinc/70/53/17/822705317.db2.gz	DLORAYGISPBPTE-UZLBHIALSA-N	1	1	396.922	4.438	20	30		GIEDMO
C[C@H]1C[C@@H](N(C)C(=O)Nc2cnc(C#N)c(Cl)c2)CC[N@H+]1Cc1ccccc1	ZINC000455777268	822724732	/nfs/dbraw/zinc/72/47/32/822724732.db2.gz	GBSGDXYOWITUTL-YJBOKZPZSA-N	1	1	397.910	4.123	20	30		GIEDMO
CC(C)[N@@H+]1CC[C@H](NC(=O)Nc2cccc(CC#N)c2)[C@@H]1c1ccc(F)c(F)c1	ZINC000455904978	822746040	/nfs/dbraw/zinc/74/60/40/822746040.db2.gz	KUKSMZIINOCFTI-SFTDATJTSA-N	1	1	398.457	4.376	20	30		GIEDMO
CC(C)[N@H+]1CC[C@H](NC(=O)Nc2cccc(CC#N)c2)[C@@H]1c1ccc(F)c(F)c1	ZINC000455904978	822746041	/nfs/dbraw/zinc/74/60/41/822746041.db2.gz	KUKSMZIINOCFTI-SFTDATJTSA-N	1	1	398.457	4.376	20	30		GIEDMO
C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)Nc1cccc(CC#N)c1	ZINC000455909928	822747220	/nfs/dbraw/zinc/74/72/20/822747220.db2.gz	SXHVWRMZWKQTSA-OEWRPIJISA-N	1	1	376.504	4.031	20	30		GIEDMO
C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)Nc2cccc(CC#N)c2)cc1	ZINC000455923083	822750244	/nfs/dbraw/zinc/75/02/44/822750244.db2.gz	SHIZNNJKEWAILM-SFHVURJKSA-N	1	1	376.504	4.449	20	30		GIEDMO
CC[N@@H+](C)C[C@H]1CCN(C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)C1	ZINC000174514542	822799646	/nfs/dbraw/zinc/79/96/46/822799646.db2.gz	HUODTUADFAILKO-MRXNPFEDSA-N	1	1	397.906	4.418	20	30		GIEDMO
O=C(Nc1nnc(-c2ccsc2)s1)N1CCC[N@@H+](Cc2ccccc2)CC1	ZINC000052496035	822801628	/nfs/dbraw/zinc/80/16/28/822801628.db2.gz	VMCIUZDUEOMPKX-UHFFFAOYSA-N	1	1	399.545	4.020	20	30		GIEDMO
C[C@H](NCc1ccc(C#N)cc1Br)[C@@H]1CCC[N@H+](C2CCC2)C1	ZINC000185769124	822819649	/nfs/dbraw/zinc/81/96/49/822819649.db2.gz	DOSFMGXKZKAVQU-WMLDXEAASA-N	1	1	376.342	4.063	20	30		GIEDMO
C=C(C)C[C@@H](C)C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1	ZINC000185867230	822828495	/nfs/dbraw/zinc/82/84/95/822828495.db2.gz	AFUIBINEPSMPNR-OAHLLOKOSA-N	1	1	379.342	4.132	20	30		GIEDMO
N#Cc1ccccc1Sc1ccc(NC(=O)CCCC[NH+]2CCOCC2)cc1	ZINC000456797401	822832114	/nfs/dbraw/zinc/83/21/14/822832114.db2.gz	SKKXKUSQXTVWCX-UHFFFAOYSA-N	1	1	395.528	4.150	20	30		GIEDMO
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C	ZINC000174793938	822837772	/nfs/dbraw/zinc/83/77/72/822837772.db2.gz	SKZSPYQCVAMZIH-MOPGFXCFSA-N	1	1	390.487	4.359	20	30		GIEDMO
CC(C)[N@H+]1CC[C@@H](N(C)C(=O)c2ccccc2SCc2ccc(C#N)cc2)C1	ZINC000457089248	822852193	/nfs/dbraw/zinc/85/21/93/822852193.db2.gz	SRMCDGWNHVBACG-HXUWFJFHSA-N	1	1	393.556	4.405	20	30		GIEDMO
Cc1cc(C#N)ccc1C[NH2+][C@@H](C)c1cc2c(cc1Br)OCCO2	ZINC000186320255	822875836	/nfs/dbraw/zinc/87/58/36/822875836.db2.gz	YIWZYZKPTTUBNT-ZDUSSCGKSA-N	1	1	387.277	4.251	20	30		GIEDMO
N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CC[NH+](C3CC3)CC2)cc1Cl	ZINC000175202571	822903415	/nfs/dbraw/zinc/90/34/15/822903415.db2.gz	UVDIKSPYCYGFEW-HXUWFJFHSA-N	1	1	394.906	4.307	20	30		GIEDMO
C=CCn1c(-c2ccncc2)nn(C[N@H+]2CC[C@@H](c3ccccc3)[C@H]2C)c1=S	ZINC000175270427	822920741	/nfs/dbraw/zinc/92/07/41/822920741.db2.gz	NRRLJFIYWUFCDL-YLJYHZDGSA-N	1	1	391.544	4.498	20	30		GIEDMO
C=CCn1c(-c2ccncc2)nn(C[N@@H+]2CC[C@@H](c3ccccc3)[C@H]2C)c1=S	ZINC000175270427	822920742	/nfs/dbraw/zinc/92/07/42/822920742.db2.gz	NRRLJFIYWUFCDL-YLJYHZDGSA-N	1	1	391.544	4.498	20	30		GIEDMO
CCOc1ccc(C#N)cc1NC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1	ZINC000175621106	823008190	/nfs/dbraw/zinc/00/81/90/823008190.db2.gz	LSNNFZDGDLFXSO-JXFKEZNVSA-N	1	1	398.532	4.223	20	30		GIEDMO
C=CCc1cc(C[N@@H+](CCc2ccccn2)Cc2ccncc2)cc(OC)c1O	ZINC000570151898	823010868	/nfs/dbraw/zinc/01/08/68/823010868.db2.gz	DYPVTFBNSKMHAG-UHFFFAOYSA-N	1	1	389.499	4.164	20	30		GIEDMO
C=CC[N@@H+](CC1CCCCC1)[C@@H](C)C(=O)Nc1cc(NC(C)=O)ccc1OC	ZINC000411263092	823560919	/nfs/dbraw/zinc/56/09/19/823560919.db2.gz	SDXWXQFKPCNXQH-INIZCTEOSA-N	1	1	387.524	4.049	20	30		GIEDMO
N#Cc1ccccc1-c1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC(=O)N3C3CC3)C2)cc1	ZINC000411396681	823570041	/nfs/dbraw/zinc/57/00/41/823570041.db2.gz	KCBMMPWQRRIKMV-ZJSXRUAMSA-N	1	1	385.511	4.201	20	30		GIEDMO
N#CCCCOc1cccc(C[N@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)c1	ZINC000124137433	823570934	/nfs/dbraw/zinc/57/09/34/823570934.db2.gz	JVJHXIYZFOFJLE-HXUWFJFHSA-N	1	1	393.535	4.067	20	30		GIEDMO
C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)[N@@H+](C)CCC1(C#N)CCCCC1	ZINC000411577256	823589016	/nfs/dbraw/zinc/58/90/16/823589016.db2.gz	ZIDFAUYQCFPRSU-SFHVURJKSA-N	1	1	389.565	4.083	20	30		GIEDMO
C[C@@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cc(Cl)ccc1Cl	ZINC000190609576	823591124	/nfs/dbraw/zinc/59/11/24/823591124.db2.gz	GKUKVITZAZCJIR-YJYMSZOUSA-N	1	1	388.298	4.317	20	30		GIEDMO
CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)c1ccc(OCc2ccccc2C#N)cc1	ZINC000461262610	823607768	/nfs/dbraw/zinc/60/77/68/823607768.db2.gz	KQEQJEYLVKOJQC-QFIPXVFZSA-N	1	1	391.515	4.084	20	30		GIEDMO
CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)C1	ZINC000124704181	823619113	/nfs/dbraw/zinc/61/91/13/823619113.db2.gz	GQUULRKHXABXJY-FQEVSTJZSA-N	1	1	391.515	4.463	20	30		GIEDMO
C=CC[N@@H+](CCc1ccccc1)CC(=O)N(CCC#N)c1cccc(C)c1C	ZINC000062364224	823629804	/nfs/dbraw/zinc/62/98/04/823629804.db2.gz	OVPAHWSNXJDCPL-UHFFFAOYSA-N	1	1	375.516	4.281	20	30		GIEDMO
C=CC[N@H+](CCc1ccccc1)CC(=O)N(CCC#N)c1cccc(C)c1C	ZINC000062364224	823629807	/nfs/dbraw/zinc/62/98/07/823629807.db2.gz	OVPAHWSNXJDCPL-UHFFFAOYSA-N	1	1	375.516	4.281	20	30		GIEDMO
N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c1	ZINC000412153798	823631109	/nfs/dbraw/zinc/63/11/09/823631109.db2.gz	GUTZGGYNTXAOFO-BFLUCZKCSA-N	1	1	399.538	4.176	20	30		GIEDMO
C=CCN(Cc1cccc(C#N)c1)C(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1	ZINC000063403313	823668455	/nfs/dbraw/zinc/66/84/55/823668455.db2.gz	SKFPGMVSWVAIIB-KDURUIRLSA-N	1	1	382.552	4.012	20	30		GIEDMO
N#CCSc1ccccc1NC(=O)C[NH+]1CCC(Cc2cccc(F)c2)CC1	ZINC000125488906	823680200	/nfs/dbraw/zinc/68/02/00/823680200.db2.gz	ARGNHBMYXHOXHR-UHFFFAOYSA-N	1	1	397.519	4.335	20	30		GIEDMO
COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(C(=O)Nc2ccccc2)cc1	ZINC000063754046	823693562	/nfs/dbraw/zinc/69/35/62/823693562.db2.gz	IANKTEZZPUPJQZ-UHFFFAOYSA-N	1	1	399.494	4.459	20	30		GIEDMO
CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC=C(c2cccc3ccccc32)CC1	ZINC000063762819	823694011	/nfs/dbraw/zinc/69/40/11/823694011.db2.gz	GAOOLWLKKFRTJM-KOSHJBKYSA-N	1	1	375.516	4.372	20	30		GIEDMO
CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC=C(c2cccc3ccccc32)CC1	ZINC000063762819	823694012	/nfs/dbraw/zinc/69/40/12/823694012.db2.gz	GAOOLWLKKFRTJM-KOSHJBKYSA-N	1	1	375.516	4.372	20	30		GIEDMO
C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(c2ncc(C#N)cc2F)CC1	ZINC000413105471	823708022	/nfs/dbraw/zinc/70/80/22/823708022.db2.gz	YYJMNVARVMNSSA-UHFFFAOYSA-N	1	1	392.400	4.212	20	30		GIEDMO
CC(C)C[N@H+]1CCC[C@@H](CNC(=O)c2ccccc2-c2ccccc2C#N)C1	ZINC000163615418	823728152	/nfs/dbraw/zinc/72/81/52/823728152.db2.gz	MSUWPEHBXROSNZ-IBGZPJMESA-N	1	1	375.516	4.323	20	30		GIEDMO
N#CCCCC(=O)N1CC[NH+](Cc2ccc(-c3ccccc3Cl)s2)CC1	ZINC000461901314	823745503	/nfs/dbraw/zinc/74/55/03/823745503.db2.gz	ODSCPTKQOZTACI-UHFFFAOYSA-N	1	1	387.936	4.407	20	30		GIEDMO
C[C@@H](c1ccc(OC(F)F)cc1)[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1	ZINC000064139988	823753193	/nfs/dbraw/zinc/75/31/93/823753193.db2.gz	CGRAOIKTENSSDY-KRWDZBQOSA-N	1	1	385.458	4.429	20	30		GIEDMO
C[C@@H](c1ccc(OC(F)F)cc1)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000064139988	823753202	/nfs/dbraw/zinc/75/32/02/823753202.db2.gz	CGRAOIKTENSSDY-KRWDZBQOSA-N	1	1	385.458	4.429	20	30		GIEDMO
C[C@@H](c1ccc(OC(F)F)cc1)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000064139988	823753210	/nfs/dbraw/zinc/75/32/10/823753210.db2.gz	CGRAOIKTENSSDY-KRWDZBQOSA-N	1	1	385.458	4.429	20	30		GIEDMO
C=C(C)Cn1c(N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nnc1C(C)(C)C	ZINC000574535427	823757906	/nfs/dbraw/zinc/75/79/06/823757906.db2.gz	UVBJGWFTHQDTCY-FQEVSTJZSA-N	1	1	381.568	4.110	20	30		GIEDMO
CC(C)[N@H+](Cc1ccc(NC(=O)N[C@@H]2CCC[C@@H]2C#N)cc1)C[C@H]1CCCCO1	ZINC000461928039	823759999	/nfs/dbraw/zinc/75/99/99/823759999.db2.gz	PHLFZVLWCJTUGE-CEMLEFRQSA-N	1	1	398.551	4.280	20	30		GIEDMO
Cc1nc(N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)c(Cl)cc1C#N	ZINC000461964687	823774586	/nfs/dbraw/zinc/77/45/86/823774586.db2.gz	KTXWXQUZNSVIOK-UHFFFAOYSA-N	1	1	380.923	4.408	20	30		GIEDMO
N#Cc1ccc(C[N@@H+](Cc2cccc(F)c2)C[C@H](O)COc2ccccc2)cc1	ZINC000064248210	823780281	/nfs/dbraw/zinc/78/02/81/823780281.db2.gz	WAPNAAWXXCDWPG-QHCPKHFHSA-N	1	1	390.458	4.139	20	30		GIEDMO
C=CCc1cc(OC)cc(C[N@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)c1O	ZINC000164344472	823797154	/nfs/dbraw/zinc/79/71/54/823797154.db2.gz	HNEKWNKYWHYJKD-UHFFFAOYSA-N	1	1	383.332	4.446	20	30		GIEDMO
C[C@@H](C(=O)N[C@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C)c1cccc(C#N)c1	ZINC000462210886	823873787	/nfs/dbraw/zinc/87/37/87/823873787.db2.gz	GZILZWKDHOGPCM-WZONZLPQSA-N	1	1	389.543	4.251	20	30		GIEDMO
CC(C)C[N@@H+](CCC(=O)Nc1ccccc1C#N)[C@H]1CCCc2cccnc21	ZINC000127073077	824011504	/nfs/dbraw/zinc/01/15/04/824011504.db2.gz	BOQSAJJYFXHALC-NRFANRHFSA-N	1	1	376.504	4.317	20	30		GIEDMO
N#Cc1nc(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c(Cl)cc1Cl	ZINC001164623335	719109289	/nfs/dbraw/zinc/10/92/89/719109289.db2.gz	CMLJLMRSZFIYQS-DNVCBOLYSA-N	1	1	387.314	4.361	20	30		GIEDMO
C=CCN1C(=O)CC[C@@]12CCC[N@@H+](C(C)(C)c1ccnc(Cl)c1)[C@H]2CC	ZINC001164702708	719824775	/nfs/dbraw/zinc/82/47/75/719824775.db2.gz	SZVDAEKDDWSHSK-LAUBAEHRSA-N	1	1	375.944	4.392	20	30		GIEDMO
N#Cc1c(Cl)c2ccccc2nc1N1CC[C@@H]2[C@H]1CC[N@H+]2Cc1cccnc1	ZINC001164733617	720432417	/nfs/dbraw/zinc/43/24/17/720432417.db2.gz	PZYUXMSMJJEPBP-WOJBJXKFSA-N	1	1	389.890	4.008	20	30		GIEDMO
Cc1cc(Cl)nc(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)c1C#N	ZINC001164993871	722192167	/nfs/dbraw/zinc/19/21/67/722192167.db2.gz	IGBGPUISXXOGFU-NRFANRHFSA-N	1	1	384.886	4.299	20	30		GIEDMO
N#Cc1ccc2ccnc(N3CCC[C@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)c2c1	ZINC001164993697	722197647	/nfs/dbraw/zinc/19/76/47/722197647.db2.gz	HXMNHZJUMBYWLR-DEOSSOPVSA-N	1	1	386.474	4.490	20	30		GIEDMO
C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)c1c(F)cc(C#N)cc1F	ZINC000120793463	823065320	/nfs/dbraw/zinc/06/53/20/823065320.db2.gz	VIIYYSYFYQHOOF-HNNXBMFYSA-N	1	1	383.442	4.141	20	30		GIEDMO
COc1ccc([C@@H]([NH2+][C@H](C)C(=O)Nc2cccc(C#N)c2)c2ccccc2)cc1	ZINC000055941541	823068869	/nfs/dbraw/zinc/06/88/69/823068869.db2.gz	XKRURSCWISXXNH-HXOBKFHXSA-N	1	1	385.467	4.273	20	30		GIEDMO
C[C@H](C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1cc2ccccc2o1	ZINC000175965163	823083531	/nfs/dbraw/zinc/08/35/31/823083531.db2.gz	LDXKRVDMBOFNEW-SFHVURJKSA-N	1	1	387.483	4.142	20	30		GIEDMO
C[C@H](C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)c1cc2ccccc2o1	ZINC000175965163	823083536	/nfs/dbraw/zinc/08/35/36/823083536.db2.gz	LDXKRVDMBOFNEW-SFHVURJKSA-N	1	1	387.483	4.142	20	30		GIEDMO
C=C(C)[C@@H]([NH2+][C@H](C)C(=O)Nc1cccc(NC(C)=O)c1)c1ccc(F)c(F)c1	ZINC000187773143	823130048	/nfs/dbraw/zinc/13/00/48/823130048.db2.gz	KLQZFXYBFCJRAR-ZUOKHONESA-N	1	1	387.430	4.157	20	30		GIEDMO
C=C(C)[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(OC)cc1OC)c1ccc(F)c(F)c1	ZINC000187770516	823129681	/nfs/dbraw/zinc/12/96/81/823129681.db2.gz	VZICOHBJZOTKPO-RNODOKPDSA-N	1	1	390.430	4.216	20	30		GIEDMO
C=C(C)COc1cc(C[N@H+]2CC[C@H](OCc3c(C)noc3C)C2)ccc1OC	ZINC000571090268	823130841	/nfs/dbraw/zinc/13/08/41/823130841.db2.gz	BIRFGLRQMNPJBN-IBGZPJMESA-N	1	1	386.492	4.046	20	30		GIEDMO
C=C(C)[C@@H]([NH2+]CC(=O)NCc1ccc(COCC)cc1)c1ccc(F)c(F)c1	ZINC000187777955	823131037	/nfs/dbraw/zinc/13/10/37/823131037.db2.gz	NJYCUGZWJKHXQO-JOCHJYFZSA-N	1	1	388.458	4.025	20	30		GIEDMO
C[C@@H]1CN(c2ccccc2C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)CCO1	ZINC000459340245	823164835	/nfs/dbraw/zinc/16/48/35/823164835.db2.gz	CSVMFSSRHBJHTE-UCFCWBNQSA-N	1	1	375.516	4.183	20	30		GIEDMO
C=CCc1cccc(C(C)C)c1NC(=O)CN1CC[NH+](Cc2ccccc2)CC1	ZINC000188060809	823179763	/nfs/dbraw/zinc/17/97/63/823179763.db2.gz	PRZRJFWPASJIPO-UHFFFAOYSA-N	1	1	391.559	4.295	20	30		GIEDMO
C[N@@H+](CCOc1ccccc1F)Cc1cn(CCC#N)nc1-c1ccccc1	ZINC000121514298	823197928	/nfs/dbraw/zinc/19/79/28/823197928.db2.gz	PQLMJFRYIFXQNU-UHFFFAOYSA-N	1	1	378.451	4.114	20	30		GIEDMO
COc1ccc(C[C@@H]2CCC[N@@H+](CC(=O)Nc3ccc(C#N)c(Cl)c3)C2)cc1	ZINC000571577718	823203356	/nfs/dbraw/zinc/20/33/56/823203356.db2.gz	JGYCWABASYGKTJ-KRWDZBQOSA-N	1	1	397.906	4.113	20	30		GIEDMO
Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1ccc(Oc2ccc(C#N)cc2C)cc1	ZINC000176415702	823203609	/nfs/dbraw/zinc/20/36/09/823203609.db2.gz	FAFFHJXWRPKCPB-INIZCTEOSA-N	1	1	388.471	4.230	20	30		GIEDMO
C=C(Br)C[NH+]1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1	ZINC000121846997	823261991	/nfs/dbraw/zinc/26/19/91/823261991.db2.gz	MRFAIZVACJVWBF-UHFFFAOYSA-N	1	1	375.669	4.038	20	30		GIEDMO
Cn1cc([C@@H]([NH2+]Cc2cccn2Cc2ccccc2C#N)c2ccc(F)cc2)cn1	ZINC000188563421	823262421	/nfs/dbraw/zinc/26/24/21/823262421.db2.gz	FUJZEDWRBZUINT-DEOSSOPVSA-N	1	1	399.473	4.160	20	30		GIEDMO
CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)[C@H](C)C1	ZINC000122208806	823321765	/nfs/dbraw/zinc/32/17/65/823321765.db2.gz	INEIHRBKSHCRTC-GCJKJVERSA-N	1	1	391.515	4.461	20	30		GIEDMO
C[C@H](CNC(=O)c1ccccc1SCc1ccc(C#N)cc1)[N@@H+](C)C1CC1	ZINC000057714245	823324303	/nfs/dbraw/zinc/32/43/03/823324303.db2.gz	INAWXLFPCWHBEB-MRXNPFEDSA-N	1	1	379.529	4.063	20	30		GIEDMO
CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)[C@H](C)C1	ZINC000122255354	823328489	/nfs/dbraw/zinc/32/84/89/823328489.db2.gz	XBWQJAGNNABLBJ-IIBYNOLFSA-N	1	1	395.478	4.292	20	30		GIEDMO
C=CCOc1ccc(CNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1	ZINC000572508829	823351364	/nfs/dbraw/zinc/35/13/64/823351364.db2.gz	NTWPCSAKOMMSGX-KNQAVFIVSA-N	1	1	393.531	4.104	20	30		GIEDMO
Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2C[C@H](C)C[C@H]2c2cccnc2)c1	ZINC000460356171	823362759	/nfs/dbraw/zinc/36/27/59/823362759.db2.gz	AGHDKVNHXWSANO-KNQAVFIVSA-N	1	1	376.504	4.028	20	30		GIEDMO
Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2C[C@H](C)C[C@H]2c2cccnc2)c1	ZINC000460356171	823362764	/nfs/dbraw/zinc/36/27/64/823362764.db2.gz	AGHDKVNHXWSANO-KNQAVFIVSA-N	1	1	376.504	4.028	20	30		GIEDMO
CCC[N@@H+](Cc1ccc(C#N)cc1)Cn1c(Cc2cccs2)n[nH]c1=S	ZINC000058205834	823368558	/nfs/dbraw/zinc/36/85/58/823368558.db2.gz	REXRDWDUTKCHLX-UHFFFAOYSA-N	1	1	383.546	4.334	20	30		GIEDMO
CCC[N@H+](Cc1ccc(C#N)cc1)Cn1c(Cc2cccs2)n[nH]c1=S	ZINC000058205834	823368562	/nfs/dbraw/zinc/36/85/62/823368562.db2.gz	REXRDWDUTKCHLX-UHFFFAOYSA-N	1	1	383.546	4.334	20	30		GIEDMO
Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)c3cc(C#N)ccc3Cl)C2)s1	ZINC000572888423	823414468	/nfs/dbraw/zinc/41/44/68/823414468.db2.gz	SIOFGNBZYPJATP-MRXNPFEDSA-N	1	1	387.936	4.176	20	30		GIEDMO
CC[C@H](C#N)Oc1cc(C[NH2+]Cc2nc3cc(Cl)ccc3n2C)ccc1OC	ZINC000122841330	823421669	/nfs/dbraw/zinc/42/16/69/823421669.db2.gz	GRWATTTXGCFJJP-MRXNPFEDSA-N	1	1	398.894	4.206	20	30		GIEDMO
C[C@@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)CC#Cc1ccc(C(F)(F)F)cc1	ZINC000177365174	823446178	/nfs/dbraw/zinc/44/61/78/823446178.db2.gz	IORHYRNZROAYJR-QWXGXRTQSA-N	1	1	379.447	4.487	20	30		GIEDMO
C[C@@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)CC#Cc1ccc(C(F)(F)F)cc1	ZINC000177365174	823446179	/nfs/dbraw/zinc/44/61/79/823446179.db2.gz	IORHYRNZROAYJR-QWXGXRTQSA-N	1	1	379.447	4.487	20	30		GIEDMO
C[N@H+](Cc1cccc(C#N)c1)C[C@@H](O)COc1ccc(Oc2ccccc2)cc1	ZINC000027208131	820209712	/nfs/dbraw/zinc/20/97/12/820209712.db2.gz	TWAZZLRAPFGDTE-OAQYLSRUSA-N	1	1	388.467	4.222	20	30		GIEDMO
CCC[N@@H+](CCCC1(C#N)CCOCC1)[C@@H]1CCCN(Cc2ccccc2)C1	ZINC000410346696	823469301	/nfs/dbraw/zinc/46/93/01/823469301.db2.gz	KFZVOVNZSQRAFU-HSZRJFAPSA-N	1	1	383.580	4.464	20	30		GIEDMO
N#Cc1c2c(sc1NC(=O)CC[N@@H+](Cc1ccccn1)C1CC1)CCCCC2	ZINC000177507610	823478957	/nfs/dbraw/zinc/47/89/57/823478957.db2.gz	BVCFIRRBBLBCTG-UHFFFAOYSA-N	1	1	394.544	4.277	20	30		GIEDMO
C[N@@H+](Cc1ccccc1NS(=O)(=O)c1cccc(C#N)c1)C1CCCCC1	ZINC000029384631	820448441	/nfs/dbraw/zinc/44/84/41/820448441.db2.gz	OXAIVVNAOOXPEL-UHFFFAOYSA-N	1	1	383.517	4.124	20	30		GIEDMO
Cc1nc([C@@H]2CCC[N@@H+]2CCC(=O)Nc2sc3c(c2C#N)CCC3)cs1	ZINC000189793739	823495615	/nfs/dbraw/zinc/49/56/15/823495615.db2.gz	XNMJQRKZFUNXIU-INIZCTEOSA-N	1	1	386.546	4.039	20	30		GIEDMO
Cc1nc([C@@H]2CCC[N@H+]2CCC(=O)Nc2sc3c(c2C#N)CCC3)cs1	ZINC000189793739	823495617	/nfs/dbraw/zinc/49/56/17/823495617.db2.gz	XNMJQRKZFUNXIU-INIZCTEOSA-N	1	1	386.546	4.039	20	30		GIEDMO
N#CCCn1cc(C[NH2+]Cc2nc(C(F)(F)F)cs2)c(-c2ccccc2)n1	ZINC000123367053	823502222	/nfs/dbraw/zinc/50/22/22/823502222.db2.gz	NFSHKFGWIWDUKB-UHFFFAOYSA-N	1	1	391.422	4.229	20	30		GIEDMO
C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000189901445	823512045	/nfs/dbraw/zinc/51/20/45/823512045.db2.gz	YBLUBTPQQVHYAQ-QFIPXVFZSA-N	1	1	378.516	4.378	20	30		GIEDMO
C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000189901445	823512050	/nfs/dbraw/zinc/51/20/50/823512050.db2.gz	YBLUBTPQQVHYAQ-QFIPXVFZSA-N	1	1	378.516	4.378	20	30		GIEDMO
C=CCN(Cc1cccs1)C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1	ZINC000060244755	823513104	/nfs/dbraw/zinc/51/31/04/823513104.db2.gz	YFHYXILGPPFVFY-QGZVFWFLSA-N	1	1	389.590	4.419	20	30		GIEDMO
CC[N@@H+](CC(=O)N(Cc1ccco1)CC(F)(F)F)[C@H](C)c1ccc(C#N)cc1	ZINC000060477463	823532565	/nfs/dbraw/zinc/53/25/65/823532565.db2.gz	MHPZZHNHPHHCDR-OAHLLOKOSA-N	1	1	393.409	4.125	20	30		GIEDMO
Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCc1ccccc1C[N@H+](C)C(C)C	ZINC000043086334	821359514	/nfs/dbraw/zinc/35/95/14/821359514.db2.gz	GXODYKQYWMHJAH-UHFFFAOYSA-N	1	1	390.487	4.021	20	30		GIEDMO
Cc1ccc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c(Cl)c1	ZINC000043188166	821376504	/nfs/dbraw/zinc/37/65/04/821376504.db2.gz	YWKPMRGWCHRRKP-UHFFFAOYSA-N	1	1	382.895	4.260	20	30		GIEDMO
Cc1ccc(NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c(Cl)c1	ZINC000043188166	821376516	/nfs/dbraw/zinc/37/65/16/821376516.db2.gz	YWKPMRGWCHRRKP-UHFFFAOYSA-N	1	1	382.895	4.260	20	30		GIEDMO
C[C@@H]([NH2+][C@@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1)c1ccc(C#N)cc1	ZINC000181836575	822012743	/nfs/dbraw/zinc/01/27/43/822012743.db2.gz	NIGZRJBKLGFDAJ-HXOBKFHXSA-N	1	1	390.508	4.402	20	30		GIEDMO
CCOc1cccc2cc([C@H](C)[NH2+]CC(=O)Nc3oc(C)c(C)c3C#N)oc21	ZINC000182655338	822340247	/nfs/dbraw/zinc/34/02/47/822340247.db2.gz	CINYAIFFTOAONC-ZDUSSCGKSA-N	1	1	381.432	4.202	20	30		GIEDMO
CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1	ZINC000182938605	822396370	/nfs/dbraw/zinc/39/63/70/822396370.db2.gz	IEBOJIRKOFUWBF-FUHWJXTLSA-N	1	1	384.524	4.120	20	30		GIEDMO
CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1	ZINC000182938623	822396388	/nfs/dbraw/zinc/39/63/88/822396388.db2.gz	IEBOJIRKOFUWBF-SJLPKXTDSA-N	1	1	384.524	4.120	20	30		GIEDMO
C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N(C)Cc3cccc(C#N)c3)cc2)C1	ZINC000045788004	822413775	/nfs/dbraw/zinc/41/37/75/822413775.db2.gz	WXBIVNOOEVTLOC-IBGZPJMESA-N	1	1	390.531	4.132	20	30		GIEDMO
COc1ccc(C[N@H+]2CC[C@H](Oc3cccc(F)c3)C2)cc1OCCCC#N	ZINC000183211037	822442336	/nfs/dbraw/zinc/44/23/36/822442336.db2.gz	MRGXSVPPAOCPIU-FQEVSTJZSA-N	1	1	384.451	4.170	20	30		GIEDMO
N#CCCn1cc(C[N@@H+]2CCO[C@@H](c3ccc(F)cc3)C2)c(-c2ccccc2)n1	ZINC000179426025	822480824	/nfs/dbraw/zinc/48/08/24/822480824.db2.gz	IITUOYWZHCIQQR-JOCHJYFZSA-N	1	1	390.462	4.176	20	30		GIEDMO
N#CCCn1cc(C[N@H+]2CCO[C@@H](c3ccc(F)cc3)C2)c(-c2ccccc2)n1	ZINC000179426025	822480826	/nfs/dbraw/zinc/48/08/26/822480826.db2.gz	IITUOYWZHCIQQR-JOCHJYFZSA-N	1	1	390.462	4.176	20	30		GIEDMO
C[C@H](NC(=O)C[N@H+](C)Cc1ccc(C#N)cc1)c1ccc(Cl)c(Cl)c1	ZINC000046527108	822481333	/nfs/dbraw/zinc/48/13/33/822481333.db2.gz	RHDVGXTTYDGAPZ-ZDUSSCGKSA-N	1	1	376.287	4.174	20	30		GIEDMO
C[C@H](NC(=O)C[N@@H+](C)Cc1ccc(C#N)cc1)c1ccc(Cl)c(Cl)c1	ZINC000046527108	822481335	/nfs/dbraw/zinc/48/13/35/822481335.db2.gz	RHDVGXTTYDGAPZ-ZDUSSCGKSA-N	1	1	376.287	4.174	20	30		GIEDMO
CC(C)Oc1ccc(NC(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1C#N	ZINC000183534798	822491534	/nfs/dbraw/zinc/49/15/34/822491534.db2.gz	LSECPHZNADGTRQ-SJORKVTESA-N	1	1	384.524	4.120	20	30		GIEDMO
CSc1ccccc1NC(=O)C[N@H+](C)Cc1cccc(OCCCC#N)c1	ZINC000179625922	822515031	/nfs/dbraw/zinc/51/50/31/822515031.db2.gz	VAJZOSHZZFNTTI-UHFFFAOYSA-N	1	1	383.517	4.162	20	30		GIEDMO
CSc1ccccc1NC(=O)C[N@@H+](C)Cc1cccc(OCCCC#N)c1	ZINC000179625922	822515034	/nfs/dbraw/zinc/51/50/34/822515034.db2.gz	VAJZOSHZZFNTTI-UHFFFAOYSA-N	1	1	383.517	4.162	20	30		GIEDMO
COc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)cc1OCCCC#N	ZINC000183801439	822529726	/nfs/dbraw/zinc/52/97/26/822529726.db2.gz	FXZOHUGTOGADDS-UHFFFAOYSA-N	1	1	389.839	4.229	20	30		GIEDMO
N#Cc1ccsc1NC(=O)C[NH2+][C@@H](Cc1ccccc1)c1ccccc1F	ZINC000179810841	822557480	/nfs/dbraw/zinc/55/74/80/822557480.db2.gz	VJCKRDAELXIXOV-IBGZPJMESA-N	1	1	379.460	4.271	20	30		GIEDMO
C[C@H](C[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCC2)c1nccs1	ZINC000183982091	822557604	/nfs/dbraw/zinc/55/76/04/822557604.db2.gz	GCNAYUMYIIXELG-CYBMUJFWSA-N	1	1	388.562	4.019	20	30		GIEDMO
COc1ccc(F)cc1[C@H](C)[NH2+]CC(=O)N(CCC#N)c1ccc(C)c(C)c1	ZINC000179916831	822576691	/nfs/dbraw/zinc/57/66/91/822576691.db2.gz	YYYMKUANCDWIID-KRWDZBQOSA-N	1	1	383.467	4.049	20	30		GIEDMO
Cn1cc(C[N@@H+]2CCn3cccc3[C@H]2c2ccccc2)c(-c2ccc(C#N)cc2)n1	ZINC000179936278	822580634	/nfs/dbraw/zinc/58/06/34/822580634.db2.gz	JEIUKGYIYJVRJZ-RUZDIDTESA-N	1	1	393.494	4.365	20	30		GIEDMO
Cn1cc(C[N@H+]2CCn3cccc3[C@H]2c2ccccc2)c(-c2ccc(C#N)cc2)n1	ZINC000179936278	822580636	/nfs/dbraw/zinc/58/06/36/822580636.db2.gz	JEIUKGYIYJVRJZ-RUZDIDTESA-N	1	1	393.494	4.365	20	30		GIEDMO
COc1ccc(F)cc1[C@H](C)[NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1	ZINC000179941774	822581906	/nfs/dbraw/zinc/58/19/06/822581906.db2.gz	IHOQOCBLBQZDJC-AWEZNQCLSA-N	1	1	389.858	4.085	20	30		GIEDMO
CC[C@@H]([NH2+]CC(=O)Nc1ccccc1SC[C@H](C)C#N)c1nc(C)cs1	ZINC000184384338	822625988	/nfs/dbraw/zinc/62/59/88/822625988.db2.gz	YURUKTWUNKTTKQ-UKRRQHHQSA-N	1	1	388.562	4.383	20	30		GIEDMO
C[C@H](NC(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C)c1ccc(C#N)cc1	ZINC000048826750	822684846	/nfs/dbraw/zinc/68/48/46/822684846.db2.gz	VDXXTASWEAFAIW-OALUTQOASA-N	1	1	390.531	4.493	20	30		GIEDMO
C[C@H](NC(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1)c1ccc(C#N)cc1	ZINC000048828533	822684899	/nfs/dbraw/zinc/68/48/99/822684899.db2.gz	ZCXNPXKELSQUOV-OALUTQOASA-N	1	1	390.531	4.351	20	30		GIEDMO
C[C@@H]([NH2+]Cc1ccc(F)c(C#N)c1)c1cc2c(cc1Br)OCCO2	ZINC000180466182	822687050	/nfs/dbraw/zinc/68/70/50/822687050.db2.gz	IASWNJKNXWIVJC-LLVKDONJSA-N	1	1	391.240	4.082	20	30		GIEDMO
N#Cc1ccc2ncc(C[N@@H+]3CCCCC[C@H]3C[C@H](O)c3cccs3)n2c1	ZINC000180508794	822693455	/nfs/dbraw/zinc/69/34/55/822693455.db2.gz	PYPXNQOKDISVTA-HKUYNNGSSA-N	1	1	380.517	4.136	20	30		GIEDMO
C=C(C)[C@@H](NC(=O)C1CCN(c2ccc(C)c[nH+]2)CC1)c1ccc(F)c(F)c1	ZINC000184836839	822697662	/nfs/dbraw/zinc/69/76/62/822697662.db2.gz	DTZMANKAMYQWHR-OAQYLSRUSA-N	1	1	385.458	4.318	20	30		GIEDMO
N#CCCN(C(=O)C[NH2+][C@@H](CC(F)(F)F)c1ccc(F)cc1)c1ccccc1	ZINC000180564311	822703306	/nfs/dbraw/zinc/70/33/06/822703306.db2.gz	RJRKSVYHVBIKIE-SFHVURJKSA-N	1	1	393.384	4.356	20	30		GIEDMO
C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)Nc1ccc(CC#N)cc1Cl)C1CC1	ZINC000455733703	822716611	/nfs/dbraw/zinc/71/66/11/822716611.db2.gz	OJEAPONQGXWBRH-OAQYLSRUSA-N	1	1	396.922	4.438	20	30		GIEDMO
COc1ccc(CN2CC[NH+]([C@@H](C)c3ccsc3)CC2)cc1OCCCC#N	ZINC000184973832	822720388	/nfs/dbraw/zinc/72/03/88/822720388.db2.gz	WQIYZFOCBAQEGF-SFHVURJKSA-N	1	1	399.560	4.318	20	30		GIEDMO
CC(C)(C)Oc1ccc(NC(=O)N2CCC[N@H+](C3CCCC3)CC2)cc1C#N	ZINC000455806515	822729724	/nfs/dbraw/zinc/72/97/24/822729724.db2.gz	YOEJPMFEEPFLHV-UHFFFAOYSA-N	1	1	384.524	4.218	20	30		GIEDMO
N#Cc1ccc(C[NH2+]Cc2cc(Br)ccc2Br)s1	ZINC000185157390	822744023	/nfs/dbraw/zinc/74/40/23/822744023.db2.gz	OFFMILBJGCEJIJ-UHFFFAOYSA-N	1	1	386.112	4.435	20	30		GIEDMO
CCN(C(=O)Nc1cccc(CC#N)c1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1	ZINC000455917958	822749208	/nfs/dbraw/zinc/74/92/08/822749208.db2.gz	KOVUMJPNKFBLAQ-GCJKJVERSA-N	1	1	376.504	4.442	20	30		GIEDMO
C[C@@H]1C[C@@H](N(C)C(=O)Nc2cccc(CC#N)c2)CC[N@H+]1Cc1ccccc1	ZINC000455921430	822749911	/nfs/dbraw/zinc/74/99/11/822749911.db2.gz	OTJLIZXCUVGFRC-GCJKJVERSA-N	1	1	376.504	4.269	20	30		GIEDMO
Cc1cnc([C@H]([NH2+]CC(=O)N(CCC#N)c2ccc(C)c(C)c2)C2CC2)s1	ZINC000185274929	822758079	/nfs/dbraw/zinc/75/80/79/822758079.db2.gz	FHRKTXWESYQDFS-HXUWFJFHSA-N	1	1	382.533	4.056	20	30		GIEDMO
COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N(CCC#N)c2cccc(C)c2C)cc1	ZINC000051560122	822766084	/nfs/dbraw/zinc/76/60/84/822766084.db2.gz	HLBSTSQGYSXLIC-QHCPKHFHSA-N	1	1	391.515	4.396	20	30		GIEDMO
COc1ccc([C@@H]2CCC[N@H+]2CC(=O)N(CCC#N)c2cccc(C)c2C)cc1	ZINC000051560122	822766087	/nfs/dbraw/zinc/76/60/87/822766087.db2.gz	HLBSTSQGYSXLIC-QHCPKHFHSA-N	1	1	391.515	4.396	20	30		GIEDMO
C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)CC[N@H+]1C	ZINC000174494072	822796494	/nfs/dbraw/zinc/79/64/94/822796494.db2.gz	CYWXVTWFKMPSDF-QAPCUYQASA-N	1	1	396.466	4.436	20	30		GIEDMO
C[C@H]1CN(C(=O)C[C@@H](CC#N)c2ccccc2)CC[N@@H+](Cc2ccccc2)C1	ZINC000456329588	822798929	/nfs/dbraw/zinc/79/89/29/822798929.db2.gz	IQEQGQHBUMKOIP-NFBKMPQASA-N	1	1	375.516	4.054	20	30		GIEDMO
Cc1oc(NC(=O)[C@H](C)[N@H+](C)Cc2cccc(C(F)(F)F)c2)c(C#N)c1C	ZINC000053112608	822822258	/nfs/dbraw/zinc/82/22/58/822822258.db2.gz	IICLFJWROPZFRK-LBPRGKRZSA-N	1	1	379.382	4.246	20	30		GIEDMO
Cc1oc(NC(=O)[C@H](C)[N@@H+](C)Cc2cccc(C(F)(F)F)c2)c(C#N)c1C	ZINC000053112608	822822261	/nfs/dbraw/zinc/82/22/61/822822261.db2.gz	IICLFJWROPZFRK-LBPRGKRZSA-N	1	1	379.382	4.246	20	30		GIEDMO
CC(C)[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)C1	ZINC000457103371	822853396	/nfs/dbraw/zinc/85/33/96/822853396.db2.gz	ATFWNZRKCICPJB-QGZVFWFLSA-N	1	1	381.451	4.044	20	30		GIEDMO
CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@H](C)Oc2ccccc2C#N)c1	ZINC000054011790	822858665	/nfs/dbraw/zinc/85/86/65/822858665.db2.gz	ZSQYHIPFWKDJTM-KRWDZBQOSA-N	1	1	388.471	4.332	20	30		GIEDMO
CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@@H](C)Oc2ccccc2C#N)c1	ZINC000054011787	822858773	/nfs/dbraw/zinc/85/87/73/822858773.db2.gz	ZSQYHIPFWKDJTM-QGZVFWFLSA-N	1	1	388.471	4.332	20	30		GIEDMO
Cc1cc(C#N)ccc1C[N@H+]1CCCN(C(=O)Nc2cccc(Cl)c2)CC1	ZINC000186279372	822869365	/nfs/dbraw/zinc/86/93/65/822869365.db2.gz	GYECMGLSOPLRPQ-UHFFFAOYSA-N	1	1	382.895	4.260	20	30		GIEDMO
Cc1cc(C#N)ccc1C[NH2+][C@H](C)c1cc2c(cc1Br)OCCO2	ZINC000186320272	822875813	/nfs/dbraw/zinc/87/58/13/822875813.db2.gz	YIWZYZKPTTUBNT-CYBMUJFWSA-N	1	1	387.277	4.251	20	30		GIEDMO
C=C(C)[C@H]([NH2+][C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1)c1ccc(F)c(F)c1	ZINC000186447430	822897394	/nfs/dbraw/zinc/89/73/94/822897394.db2.gz	MYWLKUNFELEEPR-XOBRGWDASA-N	1	1	394.487	4.183	20	30		GIEDMO
C=C(C)[C@@H]([NH2+][C@@H](C)c1ccc(S(C)(=O)=O)c(OC)c1)c1ccc(F)c(F)c1	ZINC000186454046	822898150	/nfs/dbraw/zinc/89/81/50/822898150.db2.gz	GOQMYKKEKYHOJG-RNODOKPDSA-N	1	1	395.471	4.345	20	30		GIEDMO
C=C(C)[C@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(F)c(F)c1	ZINC000186455394	822898362	/nfs/dbraw/zinc/89/83/62/822898362.db2.gz	SVJITEZYZGPLMH-XOBRGWDASA-N	1	1	394.487	4.183	20	30		GIEDMO
N#CC1(c2ccccn2)CC[NH+](CCOc2ccc(Cl)cc2Cl)CC1	ZINC000569381526	822913823	/nfs/dbraw/zinc/91/38/23/822913823.db2.gz	XBWBIOKGLKXPBA-UHFFFAOYSA-N	1	1	376.287	4.325	20	30		GIEDMO
C[C@@H]1C[C@H](N(C)C(=O)Nc2ccc(F)cc2C#N)CC[N@H+]1Cc1ccccc1	ZINC000177896651	823543390	/nfs/dbraw/zinc/54/33/90/823543390.db2.gz	HCKQGXABTXDDBX-OXQOHEQNSA-N	1	1	380.467	4.214	20	30		GIEDMO
C=CCOc1c(Br)cc(C[N@H+]2CCC[C@@](CC)(CO)C2)cc1OC	ZINC000190219407	823552184	/nfs/dbraw/zinc/55/21/84/823552184.db2.gz	QKHVXKIJAKVCFN-LJQANCHMSA-N	1	1	398.341	4.007	20	30		GIEDMO
C=CCOc1c(Br)cc(C[N@@H+]2CCC[C@@](CC)(CO)C2)cc1OC	ZINC000190219407	823552186	/nfs/dbraw/zinc/55/21/86/823552186.db2.gz	QKHVXKIJAKVCFN-LJQANCHMSA-N	1	1	398.341	4.007	20	30		GIEDMO
CCO[C@@H](C)c1nc(CN2CC[NH+](CCC3(C#N)CCCCC3)CC2)cs1	ZINC000411291113	823562615	/nfs/dbraw/zinc/56/26/15/823562615.db2.gz	INCCVPSTHFSPHD-SFHVURJKSA-N	1	1	390.597	4.222	20	30		GIEDMO
C=C(C)COc1cc(CNCCC[N@@H+]2CCc3ccccc3C2)ccc1OC	ZINC000060946851	823568652	/nfs/dbraw/zinc/56/86/52/823568652.db2.gz	UBFFRKXMOZRTGV-UHFFFAOYSA-N	1	1	380.532	4.188	20	30		GIEDMO
C=C(C)COc1cc(CNCCC[N@H+]2CCc3ccccc3C2)ccc1OC	ZINC000060946851	823568654	/nfs/dbraw/zinc/56/86/54/823568654.db2.gz	UBFFRKXMOZRTGV-UHFFFAOYSA-N	1	1	380.532	4.188	20	30		GIEDMO
N#Cc1ccccc1-c1ccc(C[N@H+]2CC[C@H]3[C@H](CCC(=O)N3C3CC3)C2)cc1	ZINC000411396670	823570102	/nfs/dbraw/zinc/57/01/02/823570102.db2.gz	KCBMMPWQRRIKMV-QPPBQGQZSA-N	1	1	385.511	4.201	20	30		GIEDMO
C=CC[N@@H+](CCC(=O)Nc1ccccc1Br)CCc1ccco1	ZINC000411485447	823580369	/nfs/dbraw/zinc/58/03/69/823580369.db2.gz	AUFOHBWKRSOAHS-UHFFFAOYSA-N	1	1	377.282	4.101	20	30		GIEDMO
C=CCn1c(C)cc(C(=O)C[N@@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)c1C	ZINC000412002768	823620684	/nfs/dbraw/zinc/62/06/84/823620684.db2.gz	VDZUFAQFZUQASW-HSZRJFAPSA-N	1	1	378.516	4.327	20	30		GIEDMO
C=CCn1c(C)cc(C(=O)C[N@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)c1C	ZINC000412002768	823620685	/nfs/dbraw/zinc/62/06/85/823620685.db2.gz	VDZUFAQFZUQASW-HSZRJFAPSA-N	1	1	378.516	4.327	20	30		GIEDMO
CC[N@H+]1CC[C@H](CNC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)C1	ZINC000124976928	823642236	/nfs/dbraw/zinc/64/22/36/823642236.db2.gz	GKCLNKBYKUJUST-OAHLLOKOSA-N	1	1	383.879	4.076	20	30		GIEDMO
COc1ccc([C@H]([NH2+]CC(=O)Nc2cccc(C#N)c2)c2ccc(C)cc2)cc1	ZINC000063479245	823674990	/nfs/dbraw/zinc/67/49/90/823674990.db2.gz	IDXQNYLARUFWOX-XMMPIXPASA-N	1	1	385.467	4.193	20	30		GIEDMO
CC(C)(C)[N@H+]1CCCN(C(=O)c2ccc(OCc3ccccc3C#N)cc2)CC1	ZINC000063722756	823691449	/nfs/dbraw/zinc/69/14/49/823691449.db2.gz	WFSRXOAEEDTYSK-UHFFFAOYSA-N	1	1	391.515	4.084	20	30		GIEDMO
Cc1cc(C#N)nc(NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)n1	ZINC000574347525	823706194	/nfs/dbraw/zinc/70/61/94/823706194.db2.gz	UVCRYXJVOMJVKY-UHFFFAOYSA-N	1	1	376.291	4.040	20	30		GIEDMO
CCc1ccc([C@H]2C[N@H+](Cc3cn(C)nc3-c3ccc(C#N)cc3)CCO2)cc1	ZINC000191668530	823728354	/nfs/dbraw/zinc/72/83/54/823728354.db2.gz	NERFGQCFLHDSRD-HSZRJFAPSA-N	1	1	386.499	4.095	20	30		GIEDMO
CCc1ccc([C@H]2C[N@@H+](Cc3cn(C)nc3-c3ccc(C#N)cc3)CCO2)cc1	ZINC000191668530	823728358	/nfs/dbraw/zinc/72/83/58/823728358.db2.gz	NERFGQCFLHDSRD-HSZRJFAPSA-N	1	1	386.499	4.095	20	30		GIEDMO
CC[C@](C)([NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1)c1nc(C)cs1	ZINC000163950782	823765046	/nfs/dbraw/zinc/76/50/46/823765046.db2.gz	FAFHMZWPWTYCQB-IBGZPJMESA-N	1	1	390.940	4.267	20	30		GIEDMO
COc1cc(C)c([C@@H](C)[NH2+]Cc2cc(C#N)ccc2Br)cc1OC	ZINC000191820472	823781578	/nfs/dbraw/zinc/78/15/78/823781578.db2.gz	YUBUSXFHVHSAKU-CYBMUJFWSA-N	1	1	389.293	4.497	20	30		GIEDMO
N#Cc1cccc(OC2CC[NH+](CC(=O)C34CC5CC(CC(C5)C3)C4)CC2)c1	ZINC000574778266	823824161	/nfs/dbraw/zinc/82/41/61/823824161.db2.gz	ASOTZCQAQCOWKR-UHFFFAOYSA-N	1	1	378.516	4.187	20	30		GIEDMO
C[C@H](C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)c1cccc(C#N)c1	ZINC000462180552	823857115	/nfs/dbraw/zinc/85/71/15/823857115.db2.gz	MUAXICRNWNCWDE-CPJSRVTESA-N	1	1	387.527	4.176	20	30		GIEDMO
C[C@H](C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1)c1cccc(C#N)c1	ZINC000462239669	823890900	/nfs/dbraw/zinc/89/09/00/823890900.db2.gz	ZQQCFDPUPJXPHC-IGKWTDBASA-N	1	1	387.527	4.175	20	30		GIEDMO
C[C@@H](NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)c1ccc(Cl)cc1	ZINC000126579224	823904330	/nfs/dbraw/zinc/90/43/30/823904330.db2.gz	AHGMGCJYYWFBSE-QGZVFWFLSA-N	1	1	396.922	4.190	20	30		GIEDMO
COCCCC[N@@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccccc1	ZINC000065165754	823956514	/nfs/dbraw/zinc/95/65/14/823956514.db2.gz	GZMDZNPNJDRTGX-UHFFFAOYSA-N	1	1	385.895	4.079	20	30		GIEDMO
C[C@@H](C(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1cccc(C#N)c1	ZINC000462434490	823973772	/nfs/dbraw/zinc/97/37/72/823973772.db2.gz	CXGKXLDESBWSIV-DENIHFKCSA-N	1	1	375.516	4.080	20	30		GIEDMO
C=C(C)COc1cc(C[N@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)ccc1OC	ZINC000575769914	823989803	/nfs/dbraw/zinc/98/98/03/823989803.db2.gz	ROWQJIVGEJZWOH-SFHVURJKSA-N	1	1	382.508	4.025	20	30		GIEDMO
C=C(C)COc1cc(C[N@@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)ccc1OC	ZINC000575769914	823989809	/nfs/dbraw/zinc/98/98/09/823989809.db2.gz	ROWQJIVGEJZWOH-SFHVURJKSA-N	1	1	382.508	4.025	20	30		GIEDMO
C=C(C)COc1cc(C[N@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)ccc1OC	ZINC000575769914	823989813	/nfs/dbraw/zinc/98/98/13/823989813.db2.gz	ROWQJIVGEJZWOH-SFHVURJKSA-N	1	1	382.508	4.025	20	30		GIEDMO
C=C(C)COc1cc(C[N@@H+](C)[C@H](C)c2ccc(-n3cncn3)cc2)ccc1OC	ZINC000127133280	824023620	/nfs/dbraw/zinc/02/36/20/824023620.db2.gz	FWDFCECFXPZTNV-GOSISDBHSA-N	1	1	392.503	4.424	20	30		GIEDMO
N#Cc1c(F)cccc1N1CC[NH+](Cc2ccc(Cl)c3cccnc23)CC1	ZINC000071969998	136166881	/nfs/dbraw/zinc/16/68/81/136166881.db2.gz	UKAUDRXXYNACAA-UHFFFAOYSA-N	1	1	380.854	4.221	20	30		GIEDMO
C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nccc4ccc(C#N)cc43)C[C@H]21	ZINC001165029497	721808790	/nfs/dbraw/zinc/80/87/90/721808790.db2.gz	ZOCMSSDQLZVGEX-AGILITTLSA-N	1	1	397.526	4.238	20	30		GIEDMO
N#CCCC[C@H](NC(=O)N1CC[NH+](CCc2cccs2)CC1)c1ccccc1	ZINC000458795818	823086615	/nfs/dbraw/zinc/08/66/15/823086615.db2.gz	CZHATFUGVFLYCY-NRFANRHFSA-N	1	1	396.560	4.053	20	30		GIEDMO
N#CCCC[C@H](NC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)c1ccccc1	ZINC000458803293	823088502	/nfs/dbraw/zinc/08/85/02/823088502.db2.gz	QXMXUIRZGGBEAH-QHCPKHFHSA-N	1	1	390.531	4.339	20	30		GIEDMO
C=C(C)COc1cc(CNc2ccccc2C[NH+]2CCOCC2)ccc1OC	ZINC000120941879	823090281	/nfs/dbraw/zinc/09/02/81/823090281.db2.gz	FYSWZWPOVPBRIW-UHFFFAOYSA-N	1	1	382.504	4.094	20	30		GIEDMO
C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3cccc(SCC#N)c3)cc2)C1	ZINC000176014519	823096114	/nfs/dbraw/zinc/09/61/14/823096114.db2.gz	ZOGYHJNIKLHRNL-GOSISDBHSA-N	1	1	393.556	4.464	20	30		GIEDMO
C=C(C)[C@H]([NH2+][C@H](C)C(=O)Nc1ccc(OC)c(OC)c1)c1ccc(F)c(F)c1	ZINC000187759469	823127200	/nfs/dbraw/zinc/12/72/00/823127200.db2.gz	ZSFZSAXCYZDSSN-XCLFUZPHSA-N	1	1	390.430	4.216	20	30		GIEDMO
C[C@@H](C#N)Oc1ccccc1NC(=O)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1	ZINC000187797974	823135436	/nfs/dbraw/zinc/13/54/36/823135436.db2.gz	ZTJVJKDDQDXYMI-LAUBAEHRSA-N	1	1	392.503	4.010	20	30		GIEDMO
CC(C)(CC#N)CNC(=O)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1	ZINC000459253515	823152258	/nfs/dbraw/zinc/15/22/58/823152258.db2.gz	DPQGIYKXDFHVGP-UHFFFAOYSA-N	1	1	388.515	4.023	20	30		GIEDMO
COc1ccc(C[N@H+](C)Cc2cnn(-c3ccccc3)c2)cc1OCCCC#N	ZINC000121359340	823170041	/nfs/dbraw/zinc/17/00/41/823170041.db2.gz	FTNMRJOLEYSASV-UHFFFAOYSA-N	1	1	390.487	4.195	20	30		GIEDMO
COc1ccc(C[N@@H+](C)Cc2cnn(-c3ccccc3)c2)cc1OCCCC#N	ZINC000121359340	823170044	/nfs/dbraw/zinc/17/00/44/823170044.db2.gz	FTNMRJOLEYSASV-UHFFFAOYSA-N	1	1	390.487	4.195	20	30		GIEDMO
COc1cc(C#N)ccc1C[N@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1	ZINC000121516528	823198421	/nfs/dbraw/zinc/19/84/21/823198421.db2.gz	XNZMJSBPLBHLMP-CQSZACIVSA-N	1	1	381.423	4.422	20	30		GIEDMO
C[C@@]1(Cc2cccc(F)c2)CCC[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1	ZINC000571674888	823217334	/nfs/dbraw/zinc/21/73/34/823217334.db2.gz	HEGJMAQWZYXJNY-QFIPXVFZSA-N	1	1	376.435	4.345	20	30		GIEDMO
Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[NH2+][C@H](C)c2nc3c(s2)CCC3)c1	ZINC000459633244	823233853	/nfs/dbraw/zinc/23/38/53/823233853.db2.gz	LJJXKUYQJSCVKY-IAGOWNOFSA-N	1	1	396.560	4.235	20	30		GIEDMO
N#Cc1ccc(C[N@@H+]2CCC[C@@H](c3nnc4ccc(C(F)(F)F)cn43)C2)s1	ZINC000121750362	823242701	/nfs/dbraw/zinc/24/27/01/823242701.db2.gz	KXUGYPGUORNUDL-GFCCVEGCSA-N	1	1	391.422	4.061	20	30		GIEDMO
CC1CC[NH+](c2ccc(N[C@H]3CCN(c4sccc4C#N)C3=O)cc2)CC1	ZINC000176711003	823274444	/nfs/dbraw/zinc/27/44/44/823274444.db2.gz	VJJDIMGBLXFZRU-IBGZPJMESA-N	1	1	380.517	4.073	20	30		GIEDMO
N#CCSc1ccccc1NC(=O)C[NH+]1CCC(Cc2ccccc2)CC1	ZINC000007788093	817914709	/nfs/dbraw/zinc/91/47/09/817914709.db2.gz	JVZNPHKWQHIJRT-UHFFFAOYSA-N	1	1	379.529	4.195	20	30		GIEDMO
C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+](C)Cc1ccc(OC(F)F)cc1	ZINC000014929175	818277603	/nfs/dbraw/zinc/27/76/03/818277603.db2.gz	HWJILUDWRUYLPH-GFCCVEGCSA-N	1	1	393.821	4.272	20	30		GIEDMO
C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+](C)Cc1ccc(OC(F)F)cc1	ZINC000014929175	818277606	/nfs/dbraw/zinc/27/76/06/818277606.db2.gz	HWJILUDWRUYLPH-GFCCVEGCSA-N	1	1	393.821	4.272	20	30		GIEDMO
COCCCC[N@@H+](CC(=O)Nc1sc(C)c(C)c1C#N)Cc1ccccc1	ZINC000177046529	823358776	/nfs/dbraw/zinc/35/87/76/823358776.db2.gz	JAAGVZWPFVLOKL-UHFFFAOYSA-N	1	1	385.533	4.104	20	30		GIEDMO
CSc1ccc(CN(C)C(=O)C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)cc1	ZINC000058396987	823385935	/nfs/dbraw/zinc/38/59/35/823385935.db2.gz	XXYDNDSZOKQWQB-UHFFFAOYSA-N	1	1	381.545	4.149	20	30		GIEDMO
N#Cc1ccccc1N1CCC[N@@H+](Cc2ccc(F)cc2Br)CC1	ZINC000058580299	823412191	/nfs/dbraw/zinc/41/21/91/823412191.db2.gz	NNRIKTMIYNGNPT-UHFFFAOYSA-N	1	1	388.284	4.172	20	30		GIEDMO
N#Cc1ccccc1N1CCC[N@H+](Cc2ccc(F)cc2Br)CC1	ZINC000058580299	823412194	/nfs/dbraw/zinc/41/21/94/823412194.db2.gz	NNRIKTMIYNGNPT-UHFFFAOYSA-N	1	1	388.284	4.172	20	30		GIEDMO
N#CCCN(C(=O)C[N@H+]1CC[C@H](c2cccc(F)c2)C1)c1cccc(Cl)c1	ZINC000572907508	823417711	/nfs/dbraw/zinc/41/77/11/823417711.db2.gz	VIOWFNWRNDHFCL-KRWDZBQOSA-N	1	1	385.870	4.215	20	30		GIEDMO
N#CCCN(C(=O)C[N@@H+]1CC[C@H](c2cccc(F)c2)C1)c1cccc(Cl)c1	ZINC000572907508	823417716	/nfs/dbraw/zinc/41/77/16/823417716.db2.gz	VIOWFNWRNDHFCL-KRWDZBQOSA-N	1	1	385.870	4.215	20	30		GIEDMO
COc1cccc([C@H]2C[C@H]([N@@H+](C)CC(=O)Nc3sc(C)c(C)c3C#N)C2)c1	ZINC000572950565	823425579	/nfs/dbraw/zinc/42/55/79/823425579.db2.gz	UVTRBTMFKGEJJG-QAQDUYKDSA-N	1	1	383.517	4.062	20	30		GIEDMO
COc1cc(C[N@@H+](CCCC2(C#N)CCOCC2)C2CC2)ccc1OC(F)F	ZINC000410301307	823455778	/nfs/dbraw/zinc/45/57/78/823455778.db2.gz	SSFIVDHBZMDNIL-UHFFFAOYSA-N	1	1	394.462	4.362	20	30		GIEDMO
C=CCC[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1ccccc1	ZINC000189637245	823464274	/nfs/dbraw/zinc/46/42/74/823464274.db2.gz	KEXLKQSRROXSHX-VJBMBRPKSA-N	1	1	377.532	4.158	20	30		GIEDMO
N#Cc1c(CN2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)cn2ccccc12	ZINC000058933033	823471935	/nfs/dbraw/zinc/47/19/35/823471935.db2.gz	VUWFJCUVESNKNS-UHFFFAOYSA-N	1	1	378.907	4.172	20	30		GIEDMO
C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1C[C@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1	ZINC000573296006	823477341	/nfs/dbraw/zinc/47/73/41/823477341.db2.gz	BPHNARNHSYGNSG-ZEJGCCENSA-N	1	1	381.545	4.021	20	30		GIEDMO
N#Cc1ccc(OC2CC[NH+](CC(=O)C34CC5CC(CC(C5)C3)C4)CC2)cc1	ZINC000573273048	823474180	/nfs/dbraw/zinc/47/41/80/823474180.db2.gz	OFJKVRAFIWUCSC-UHFFFAOYSA-N	1	1	378.516	4.187	20	30		GIEDMO
C=CCN1CC[C@H]([N@@H+](Cc2ccc(-c3ccccc3OC)cc2)C(C)C)C1=O	ZINC000410381511	823482017	/nfs/dbraw/zinc/48/20/17/823482017.db2.gz	LYWZOJNTJORHRJ-QFIPXVFZSA-N	1	1	378.516	4.360	20	30		GIEDMO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)CSc3ccccc3Cl)CC2)cc1	ZINC000029984264	820560412	/nfs/dbraw/zinc/56/04/12/820560412.db2.gz	LESWZTYFAVLAMV-UHFFFAOYSA-N	1	1	399.947	4.038	20	30		GIEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)CSc3ccccc3Cl)CC2)cc1	ZINC000029984264	820560418	/nfs/dbraw/zinc/56/04/18/820560418.db2.gz	LESWZTYFAVLAMV-UHFFFAOYSA-N	1	1	399.947	4.038	20	30		GIEDMO
Cc1ccc(CCC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1Cl	ZINC000029985591	820561186	/nfs/dbraw/zinc/56/11/86/820561186.db2.gz	SZYRIEUGSMTZAF-UHFFFAOYSA-N	1	1	395.934	4.187	20	30		GIEDMO
CCOc1ccc(N(CCC#N)C(=O)C[N@@H+](CC2CCCCC2)C2CC2)cc1	ZINC000059390920	823495049	/nfs/dbraw/zinc/49/50/49/823495049.db2.gz	KRFGEVXVYQMKCD-UHFFFAOYSA-N	1	1	383.536	4.377	20	30		GIEDMO
C=CCc1ccc(OC[C@H](O)C[N@H+]2CCc3sccc3[C@@H]2CC)c(OC)c1	ZINC000030537256	820635866	/nfs/dbraw/zinc/63/58/66/820635866.db2.gz	LJYDRQHDPRNBPF-MJGOQNOKSA-N	1	1	387.545	4.234	20	30		GIEDMO
COc1cc(/C=C/C(=O)c2ccc(-n3cc[nH+]c3C)cc2)cc(OC)c1OC	ZINC000177617349	823502110	/nfs/dbraw/zinc/50/21/10/823502110.db2.gz	RCPWXDPDMGQRSR-BJMVGYQFSA-N	1	1	378.428	4.103	20	30		GIEDMO
C=C(C)Cn1c(COc2ccc(C)cc2)nnc1N(C)[C@H]1CC[N@H+](CC)[C@H](C)C1	ZINC000460786562	823512199	/nfs/dbraw/zinc/51/21/99/823512199.db2.gz	KIMFOYXSBJZIJN-UXHICEINSA-N	1	1	397.567	4.051	20	30		GIEDMO
C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]2c2ccc(OC)cc2)c(OC)c1	ZINC000032768845	821006401	/nfs/dbraw/zinc/00/64/01/821006401.db2.gz	WCLLCHHIAPGKIO-IFMALSPDSA-N	1	1	397.515	4.009	20	30		GIEDMO
C[C@@H](C#N)Oc1ccc(C[N@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)cc1	ZINC000180800431	821465505	/nfs/dbraw/zinc/46/55/05/821465505.db2.gz	MAFKYHYLYGTNTF-HOCLYGCPSA-N	1	1	378.398	4.030	20	30		GIEDMO
C=CCOCCCC(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1	ZINC000181495738	821852710	/nfs/dbraw/zinc/85/27/10/821852710.db2.gz	YJXOFJCUELEPDX-UHFFFAOYSA-N	1	1	385.335	4.057	20	30		GIEDMO
N#CC1(C(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)CCCC1	ZINC000181496186	821853189	/nfs/dbraw/zinc/85/31/89/821853189.db2.gz	GHLQLQUHBXIXNS-UHFFFAOYSA-N	1	1	380.319	4.158	20	30		GIEDMO
Cc1[nH+]ccn1-c1ccc(C(=O)/C=C/c2cn(C)nc2-c2ccc(C#N)cc2)cc1	ZINC000182293259	822190789	/nfs/dbraw/zinc/19/07/89/822190789.db2.gz	DVQFTKNDSDDJIF-FMIVXFBMSA-N	1	1	393.450	4.349	20	30		GIEDMO
CC[N@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)[C@H](C)c1cccc(O)c1	ZINC000178379582	822373143	/nfs/dbraw/zinc/37/31/43/822373143.db2.gz	NPWMSOQJTUVXTD-MRXNPFEDSA-N	1	1	385.895	4.375	20	30		GIEDMO
CC[N@@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)[C@H](C)c1cccc(O)c1	ZINC000178379582	822373147	/nfs/dbraw/zinc/37/31/47/822373147.db2.gz	NPWMSOQJTUVXTD-MRXNPFEDSA-N	1	1	385.895	4.375	20	30		GIEDMO
CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1	ZINC000182943326	822397452	/nfs/dbraw/zinc/39/74/52/822397452.db2.gz	NNQOXABPMYWITQ-RXVVDRJESA-N	1	1	382.552	4.133	20	30		GIEDMO
N#Cc1ccc(C[N@@H+]2CCCN(Cc3coc(-c4cccc(F)c4)n3)CC2)cc1	ZINC000045736606	822409757	/nfs/dbraw/zinc/40/97/57/822409757.db2.gz	WDGBZCIBNQYLAF-UHFFFAOYSA-N	1	1	390.462	4.060	20	30		GIEDMO
CC[C@@H](C#N)Oc1cc(C[NH2+][C@H](COC)c2ccc(F)c(F)c2)ccc1OC	ZINC000183257002	822449221	/nfs/dbraw/zinc/44/92/21/822449221.db2.gz	UPUJLACPAFDBOV-QFBILLFUSA-N	1	1	390.430	4.132	20	30		GIEDMO
Cc1csc([C@@H]([NH2+][C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C2CC2)n1	ZINC000183544816	822492851	/nfs/dbraw/zinc/49/28/51/822492851.db2.gz	ILRARQARWZPAAQ-XLIONFOSSA-N	1	1	396.560	4.444	20	30		GIEDMO
CC[C@H](c1ccncc1)[N@H+](C)CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1	ZINC000179695851	822529298	/nfs/dbraw/zinc/52/92/98/822529298.db2.gz	NHYNLUZRIREECL-HXUWFJFHSA-N	1	1	384.911	4.373	20	30		GIEDMO
CC[C@H](c1ccncc1)[N@@H+](C)CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1	ZINC000179695851	822529301	/nfs/dbraw/zinc/52/93/01/822529301.db2.gz	NHYNLUZRIREECL-HXUWFJFHSA-N	1	1	384.911	4.373	20	30		GIEDMO
CC[C@H]([NH2+][C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)c1cc(F)ccc1F	ZINC000179773100	822549783	/nfs/dbraw/zinc/54/97/83/822549783.db2.gz	WXJKDUPNJRFJKF-DIFFPNOSSA-N	1	1	389.471	4.455	20	30		GIEDMO
C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(Oc2ccccc2C#N)cc1	ZINC000179789872	822553657	/nfs/dbraw/zinc/55/36/57/822553657.db2.gz	ITTYAAMUVUJIHY-VQIMIIECSA-N	1	1	376.460	4.051	20	30		GIEDMO
C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](C)C[C@@H](C)c1nccs1	ZINC000183985423	822558267	/nfs/dbraw/zinc/55/82/67/822558267.db2.gz	UQJORTUCTAJBLE-HUUCEWRRSA-N	1	1	388.562	4.211	20	30		GIEDMO
C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](C)C[C@@H](C)c1nccs1	ZINC000183985423	822558271	/nfs/dbraw/zinc/55/82/71/822558271.db2.gz	UQJORTUCTAJBLE-HUUCEWRRSA-N	1	1	388.562	4.211	20	30		GIEDMO
Cc1cc([C@@H]2CCC[N@H+]2CCC(=O)Nc2sc3c(c2C#N)CCCCC3)on1	ZINC000047273442	822560741	/nfs/dbraw/zinc/56/07/41/822560741.db2.gz	SDESYEDYNDXERL-KRWDZBQOSA-N	1	1	398.532	4.351	20	30		GIEDMO
C#CCCCCC(=O)N1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1	ZINC000179877230	822570029	/nfs/dbraw/zinc/57/00/29/822570029.db2.gz	VRYMUOFXGQUQMO-UHFFFAOYSA-N	1	1	380.454	4.322	20	30		GIEDMO
Cn1cc(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)c(-c2ccc(C#N)cc2)n1	ZINC000179933609	822579931	/nfs/dbraw/zinc/57/99/31/822579931.db2.gz	RTEHXCANOZDZDX-UHFFFAOYSA-N	1	1	387.443	4.032	20	30		GIEDMO
Cn1cc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)c(-c2ccc(C#N)cc2)n1	ZINC000179933609	822579932	/nfs/dbraw/zinc/57/99/32/822579932.db2.gz	RTEHXCANOZDZDX-UHFFFAOYSA-N	1	1	387.443	4.032	20	30		GIEDMO
C[C@H](C#N)Oc1ccccc1NC(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1	ZINC000180031838	822601263	/nfs/dbraw/zinc/60/12/63/822601263.db2.gz	RLYBXTRKDTWDKV-ZWKOTPCHSA-N	1	1	380.492	4.010	20	30		GIEDMO
C[C@H](CCNC(=O)Nc1ccccc1O[C@@H](C)C#N)[N@@H+](C)Cc1ccccc1	ZINC000180031820	822601281	/nfs/dbraw/zinc/60/12/81/822601281.db2.gz	RLYBXTRKDTWDKV-MSOLQXFVSA-N	1	1	380.492	4.010	20	30		GIEDMO
CCOc1ccc(NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c(C)c1	ZINC000048143143	822638572	/nfs/dbraw/zinc/63/85/72/822638572.db2.gz	DWQWSDSIFMPKBU-UHFFFAOYSA-N	1	1	392.503	4.005	20	30		GIEDMO
C[C@H](NC(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)c1ccc(C#N)cc1	ZINC000048825489	822684604	/nfs/dbraw/zinc/68/46/04/822684604.db2.gz	DJHIDRPSSRJZOX-OALUTQOASA-N	1	1	390.531	4.493	20	30		GIEDMO
C[C@H]([NH2+]Cc1ccc(F)c(C#N)c1)c1cc2c(cc1Br)OCCO2	ZINC000180466167	822687045	/nfs/dbraw/zinc/68/70/45/822687045.db2.gz	IASWNJKNXWIVJC-NSHDSACASA-N	1	1	391.240	4.082	20	30		GIEDMO
CSCc1ccccc1NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000184819813	822695410	/nfs/dbraw/zinc/69/54/10/822695410.db2.gz	FJKRRCNFXCOVGG-UHFFFAOYSA-N	1	1	394.544	4.161	20	30		GIEDMO
C[C@H](CNC(=O)Nc1ccc(CC#N)cc1Cl)[N@@H+]1CCc2sccc2C1	ZINC000455696572	822704843	/nfs/dbraw/zinc/70/48/43/822704843.db2.gz	CMIJTDGWFBJTQS-CYBMUJFWSA-N	1	1	388.924	4.036	20	30		GIEDMO
C[C@H](CNC(=O)Nc1ccc(CC#N)cc1Cl)[N@H+]1CCc2sccc2C1	ZINC000455696572	822704849	/nfs/dbraw/zinc/70/48/49/822704849.db2.gz	CMIJTDGWFBJTQS-CYBMUJFWSA-N	1	1	388.924	4.036	20	30		GIEDMO
C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)Nc1ccc(CC#N)cc1Cl	ZINC000455697251	822705256	/nfs/dbraw/zinc/70/52/56/822705256.db2.gz	DLORAYGISPBPTE-OXJNMPFZSA-N	1	1	396.922	4.438	20	30		GIEDMO
C[C@H]1C[C@H](NC(=O)C(C)(C)Cc2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1	ZINC000455876458	822741063	/nfs/dbraw/zinc/74/10/63/822741063.db2.gz	OMOFGCJKJRKAOX-WMZHIEFXSA-N	1	1	389.543	4.296	20	30		GIEDMO
CC(C)[N@@H+]1CC[C@@H](NC(=O)Nc2cccc(CC#N)c2)[C@@H]1c1ccc(F)c(F)c1	ZINC000455904977	822746061	/nfs/dbraw/zinc/74/60/61/822746061.db2.gz	KUKSMZIINOCFTI-RTWAWAEBSA-N	1	1	398.457	4.376	20	30		GIEDMO
CC(C)[N@H+]1CC[C@@H](NC(=O)Nc2cccc(CC#N)c2)[C@@H]1c1ccc(F)c(F)c1	ZINC000455904977	822746063	/nfs/dbraw/zinc/74/60/63/822746063.db2.gz	KUKSMZIINOCFTI-RTWAWAEBSA-N	1	1	398.457	4.376	20	30		GIEDMO
Cc1oc(NC(=O)[C@H](C)[N@@H+](C)C[C@@H]2CCCO[C@@H]2c2ccccc2)c(C#N)c1C	ZINC000051132520	822747333	/nfs/dbraw/zinc/74/73/33/822747333.db2.gz	PZZKHVQNZCXSOI-NBHGPNQESA-N	1	1	395.503	4.195	20	30		GIEDMO
N#CCc1cccc(NC(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)c1	ZINC000455940045	822753792	/nfs/dbraw/zinc/75/37/92/822753792.db2.gz	GDSZNQOMYUNFQT-UHFFFAOYSA-N	1	1	382.895	4.146	20	30		GIEDMO
N#CCc1cccc(NC(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)c1	ZINC000455940045	822753794	/nfs/dbraw/zinc/75/37/94/822753794.db2.gz	GDSZNQOMYUNFQT-UHFFFAOYSA-N	1	1	382.895	4.146	20	30		GIEDMO
C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@H](c1ncc(C)s1)C1CC1	ZINC000185309473	822763489	/nfs/dbraw/zinc/76/34/89/822763489.db2.gz	JUZRYHVLZABSMS-YOEHRIQHSA-N	1	1	375.563	4.157	20	30		GIEDMO
Cc1cc(C#N)cc(NC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1	ZINC000456000988	822764498	/nfs/dbraw/zinc/76/44/98/822764498.db2.gz	LSAKZOKXARXQHF-GCJKJVERSA-N	1	1	376.504	4.384	20	30		GIEDMO
CC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccccc2Sc2ccccc2C#N)C1	ZINC000174538991	822802741	/nfs/dbraw/zinc/80/27/41/822802741.db2.gz	FVZGWIZDYFITNC-QGZVFWFLSA-N	1	1	379.529	4.123	20	30		GIEDMO
C[N@H+](CC(=O)N1Cc2ccccc2[C@H](c2ccccc2)C1)Cc1ccc(C#N)cc1	ZINC000052580829	822804280	/nfs/dbraw/zinc/80/42/80/822804280.db2.gz	XKKNZBPFEACHAK-VWLOTQADSA-N	1	1	395.506	4.164	20	30		GIEDMO
C[N@@H+](CC(=O)N1Cc2ccccc2[C@H](c2ccccc2)C1)Cc1ccc(C#N)cc1	ZINC000052580829	822804284	/nfs/dbraw/zinc/80/42/84/822804284.db2.gz	XKKNZBPFEACHAK-VWLOTQADSA-N	1	1	395.506	4.164	20	30		GIEDMO
C=C(C)[C@H](NC(=O)N1CCC[N@H+](C2CCCC2)CC1)c1ccc(F)c(F)c1	ZINC000185846654	822826956	/nfs/dbraw/zinc/82/69/56/822826956.db2.gz	LQMUQYJOYAEMIF-FQEVSTJZSA-N	1	1	377.479	4.242	20	30		GIEDMO
N#Cc1ccc(NC(=O)CC[N@@H+]2CC=C(c3ccc(O)cc3)CC2)cc1Cl	ZINC000054429195	822884534	/nfs/dbraw/zinc/88/45/34/822884534.db2.gz	ZDXXHTBZJLCUEQ-UHFFFAOYSA-N	1	1	381.863	4.035	20	30		GIEDMO
CSCC[C@@H](C)[N@@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1	ZINC000569273429	822899580	/nfs/dbraw/zinc/89/95/80/822899580.db2.gz	UEIVILOTIKNFPV-OAHLLOKOSA-N	1	1	390.597	4.494	20	30		GIEDMO
Cc1c[nH+]ccc1OC1CCN(C(=O)Nc2ccc(OC(C)C)c(C#N)c2)CC1	ZINC000569496324	822929870	/nfs/dbraw/zinc/92/98/70/822929870.db2.gz	BSAQFHOXXYENEO-UHFFFAOYSA-N	1	1	394.475	4.124	20	30		GIEDMO
CCSCc1ccc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1	ZINC000055512970	822972844	/nfs/dbraw/zinc/97/28/44/822972844.db2.gz	RXXOHADDRDEKCG-UHFFFAOYSA-N	1	1	393.556	4.159	20	30		GIEDMO
CCSCc1ccc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1	ZINC000055512970	822972848	/nfs/dbraw/zinc/97/28/48/822972848.db2.gz	RXXOHADDRDEKCG-UHFFFAOYSA-N	1	1	393.556	4.159	20	30		GIEDMO
C[C@@H]1C[C@H](N(C)C(=O)C2(c3ccc(C#N)cc3)CC2)CC[N@H+]1Cc1ccccc1	ZINC000187162698	823019557	/nfs/dbraw/zinc/01/95/57/823019557.db2.gz	DSYFYDSEJWAXIV-AUSIDOKSSA-N	1	1	387.527	4.101	20	30		GIEDMO
C=CC[N@H+](Cc1cccc(C#N)c1)[C@H]1CCN([C@@H](C)c2ccc(F)cc2)C1=O	ZINC000411196509	823556398	/nfs/dbraw/zinc/55/63/98/823556398.db2.gz	UWIPMGXISSQTTI-JTSKRJEESA-N	1	1	377.463	4.047	20	30		GIEDMO
C=CC[N@@H+](Cc1cccc(C#N)c1)[C@H]1CCN([C@@H](C)c2ccc(F)cc2)C1=O	ZINC000411196509	823556400	/nfs/dbraw/zinc/55/64/00/823556400.db2.gz	UWIPMGXISSQTTI-JTSKRJEESA-N	1	1	377.463	4.047	20	30		GIEDMO
CC(C)[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)Cc1cccnc1	ZINC000411408152	823571012	/nfs/dbraw/zinc/57/10/12/823571012.db2.gz	LVRLKUHAMSHYKV-MRXNPFEDSA-N	1	1	396.560	4.379	20	30		GIEDMO
C[C@@H](c1ccncc1)[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2	ZINC000411427737	823573010	/nfs/dbraw/zinc/57/30/10/823573010.db2.gz	UKGAQJKUVJNFGM-CABCVRRESA-N	1	1	382.533	4.161	20	30		GIEDMO
C[C@H](CCC#N)[N@@H+](C)Cc1cccc(Br)c1OC[C@@H]1CCCO1	ZINC000411607293	823590468	/nfs/dbraw/zinc/59/04/68/823590468.db2.gz	CRVSQJICNVMOAU-ZBFHGGJFSA-N	1	1	381.314	4.131	20	30		GIEDMO
C[C@@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cc(Cl)sc1Cl	ZINC000190606830	823591051	/nfs/dbraw/zinc/59/10/51/823591051.db2.gz	BUVFVSUPZDQMRP-IAQYHMDHSA-N	1	1	394.327	4.378	20	30		GIEDMO
C[C@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cccc(Cl)c1Cl	ZINC000190620622	823592580	/nfs/dbraw/zinc/59/25/80/823592580.db2.gz	OUWLLLWKCXXVKP-SCLBCKFNSA-N	1	1	388.298	4.317	20	30		GIEDMO
CN(CC[C@H]1CCCC[N@H+]1C)C(=O)c1ccc(OCc2ccccc2C#N)cc1	ZINC000461262609	823607814	/nfs/dbraw/zinc/60/78/14/823607814.db2.gz	KQEQJEYLVKOJQC-JOCHJYFZSA-N	1	1	391.515	4.084	20	30		GIEDMO
C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CC[N@H+]1Cc1ccccc1	ZINC000412134371	823629026	/nfs/dbraw/zinc/62/90/26/823629026.db2.gz	SZTCCOHXWUYLEU-LZQXYRQZSA-N	1	1	387.527	4.173	20	30		GIEDMO
C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CC[N@H+]1Cc1ccccc1	ZINC000412134366	823629032	/nfs/dbraw/zinc/62/90/32/823629032.db2.gz	SZTCCOHXWUYLEU-IBURTVSXSA-N	1	1	387.527	4.173	20	30		GIEDMO
N#Cc1ccc(Cl)c(C(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1	ZINC000461466409	823643168	/nfs/dbraw/zinc/64/31/68/823643168.db2.gz	IVXXKHCZNDZMJO-LJQANCHMSA-N	1	1	381.907	4.244	20	30		GIEDMO
CC1(C)C[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)CC2(CCCC2)O1	ZINC000191225551	823660847	/nfs/dbraw/zinc/66/08/47/823660847.db2.gz	BEOGVGDFHOVACV-UHFFFAOYSA-N	1	1	378.520	4.387	20	30		GIEDMO
C=CC[N@@H+](Cc1cccc(C#N)c1)C[C@@H](O)COc1cccc(C(F)(F)F)c1	ZINC000063299767	823660950	/nfs/dbraw/zinc/66/09/50/823660950.db2.gz	AWPYZTNOPRKSPB-LJQANCHMSA-N	1	1	390.405	4.005	20	30		GIEDMO
C=CCN(Cc1cccc(C#N)c1)C(=O)NCc1ccccc1C[N@H+](C)C(C)C	ZINC000063401467	823668422	/nfs/dbraw/zinc/66/84/22/823668422.db2.gz	BAPLXUPEEVXIDR-UHFFFAOYSA-N	1	1	390.531	4.296	20	30		GIEDMO
C=CCC(C)(C)C(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1	ZINC000412975409	823695968	/nfs/dbraw/zinc/69/59/68/823695968.db2.gz	UMBVEHSWOBABKM-UHFFFAOYSA-N	1	1	379.342	4.132	20	30		GIEDMO
C=CCC1(C(=O)NC2CC[NH+](Cc3cccc(Br)c3)CC2)CCC1	ZINC000412975370	823695972	/nfs/dbraw/zinc/69/59/72/823695972.db2.gz	UGXXDGBGVRNNTL-UHFFFAOYSA-N	1	1	391.353	4.276	20	30		GIEDMO
C=C[C@@](C)(CC)C(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1	ZINC000412979574	823696527	/nfs/dbraw/zinc/69/65/27/823696527.db2.gz	ZMGNVBWXIHEABA-IBGZPJMESA-N	1	1	379.342	4.132	20	30		GIEDMO
C[C@@H](C(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)c1cccc(C#N)c1	ZINC000461910201	823750500	/nfs/dbraw/zinc/75/05/00/823750500.db2.gz	URSVUQVOWUXAPD-RTBURBONSA-N	1	1	375.516	4.210	20	30		GIEDMO
Cc1csc(C2([NH2+]CC(=O)N(CCC#N)c3ccc(C)c(C)c3)CCCC2)n1	ZINC000163948728	823765098	/nfs/dbraw/zinc/76/50/98/823765098.db2.gz	WGBNHFZDGPYUDX-UHFFFAOYSA-N	1	1	396.560	4.374	20	30		GIEDMO
CC[C@H]1CN(c2ccccc2)CC[N@H+]1Cc1ccc(OC)c(OCCCC#N)c1	ZINC000462077907	823821096	/nfs/dbraw/zinc/82/10/96/823821096.db2.gz	ZEXIBYXSXKKHDR-NRFANRHFSA-N	1	1	393.531	4.479	20	30		GIEDMO
C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1ccccc1-c1ccccc1C#N	ZINC000462175787	823854578	/nfs/dbraw/zinc/85/45/78/823854578.db2.gz	AIYOHTHWIFTSCM-CLOONOSVSA-N	1	1	395.506	4.476	20	30		GIEDMO
CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H](C)c1cccc(C#N)c1	ZINC000462192408	823863136	/nfs/dbraw/zinc/86/31/36/823863136.db2.gz	BUBLMYHAYNTQLW-SIKLNZKXSA-N	1	1	375.516	4.032	20	30		GIEDMO
C[C@H](C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1)c1cccc(C#N)c1	ZINC000462239668	823890977	/nfs/dbraw/zinc/89/09/77/823890977.db2.gz	ZQQCFDPUPJXPHC-IEXUWNMDSA-N	1	1	387.527	4.175	20	30		GIEDMO
C[N@H+]1CCC[C@@H]2CN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)CC[C@@H]21	ZINC000167843675	823896999	/nfs/dbraw/zinc/89/69/99/823896999.db2.gz	ANOAURRKPIQHQJ-GCJKJVERSA-N	1	1	390.487	4.299	20	30		GIEDMO
C[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1cccc(C#N)c1	ZINC000462407637	823962607	/nfs/dbraw/zinc/96/26/07/823962607.db2.gz	LMXOVLNOFRTNRT-XMSQKQJNSA-N	1	1	375.516	4.079	20	30		GIEDMO
Cc1cccc(OCC[N@@H+](C)CC(=O)Nc2ccccc2S[C@H](C)CC#N)c1	ZINC000170983620	824027745	/nfs/dbraw/zinc/02/77/45/824027745.db2.gz	BIEMIAMCDCOXST-GOSISDBHSA-N	1	1	397.544	4.339	20	30		GIEDMO
Cc1cccc(OCC[N@H+](C)CC(=O)Nc2ccccc2S[C@H](C)CC#N)c1	ZINC000170983620	824027749	/nfs/dbraw/zinc/02/77/49/824027749.db2.gz	BIEMIAMCDCOXST-GOSISDBHSA-N	1	1	397.544	4.339	20	30		GIEDMO
Cc1nc(C[N@H+]2CCCC23CCN(c2ncc(C#N)cc2Cl)CC3)cs1	ZINC001164691186	719804470	/nfs/dbraw/zinc/80/44/70/719804470.db2.gz	FEGBBKKYXXEUHR-UHFFFAOYSA-N	1	1	387.940	4.007	20	30		GIEDMO
CCN(CCC#N)c1nc(C[NH+]2CCCC2)nc2sc3c(c21)CC[C@H](C)C3	ZINC001165047936	721987677	/nfs/dbraw/zinc/98/76/77/721987677.db2.gz	GAONCEZRGKGKEH-HNNXBMFYSA-N	1	1	383.565	4.152	20	30		GIEDMO
Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)cc1	ZINC000175835825	823051410	/nfs/dbraw/zinc/05/14/10/823051410.db2.gz	IWRACSAMUWCMLF-KRWDZBQOSA-N	1	1	399.498	4.488	20	30		GIEDMO
COc1ccc([C@H]([NH2+][C@H](C)C(=O)Nc2cccc(C#N)c2)c2ccccc2)cc1	ZINC000055941543	823068917	/nfs/dbraw/zinc/06/89/17/823068917.db2.gz	XKRURSCWISXXNH-UZUQRXQVSA-N	1	1	385.467	4.273	20	30		GIEDMO
C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)N[C@H](CCCC#N)c1ccccc1	ZINC000458799724	823087702	/nfs/dbraw/zinc/08/77/02/823087702.db2.gz	JZFUKXIXRSRLGE-NZQKXSOJSA-N	1	1	390.531	4.337	20	30		GIEDMO
C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)N[C@H](CCCC#N)c1ccccc1	ZINC000458799724	823087708	/nfs/dbraw/zinc/08/77/08/823087708.db2.gz	JZFUKXIXRSRLGE-NZQKXSOJSA-N	1	1	390.531	4.337	20	30		GIEDMO
C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)Nc1ccc(F)c(C#N)c1	ZINC000176088424	823116668	/nfs/dbraw/zinc/11/66/68/823116668.db2.gz	WRRVBMSUTIGZQZ-UHFFFAOYSA-N	1	1	392.434	4.244	20	30		GIEDMO
C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)Nc1ccc(F)c(C#N)c1	ZINC000176088424	823116675	/nfs/dbraw/zinc/11/66/75/823116675.db2.gz	WRRVBMSUTIGZQZ-UHFFFAOYSA-N	1	1	392.434	4.244	20	30		GIEDMO
CNC(=O)c1ccc(C[N@@H+](C)Cc2cccc(OCc3cccc(C#N)c3)c2)cc1	ZINC000121173298	823131968	/nfs/dbraw/zinc/13/19/68/823131968.db2.gz	OLFAKLIFQLQVIC-UHFFFAOYSA-N	1	1	399.494	4.129	20	30		GIEDMO
C=CCOc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1OC	ZINC000176137242	823132838	/nfs/dbraw/zinc/13/28/38/823132838.db2.gz	RDPLGAKRGIIIQH-RXVVDRJESA-N	1	1	394.515	4.043	20	30		GIEDMO
Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)CSc2ccc(C#N)cc2)cc1	ZINC000176189451	823148463	/nfs/dbraw/zinc/14/84/63/823148463.db2.gz	UKBLNNJZNOVGMR-HNNXBMFYSA-N	1	1	376.485	4.022	20	30		GIEDMO
CCC[N@@H+](Cc1ccc(C#N)cc1OC)C1CCN(C(=O)c2ccccc2)CC1	ZINC000121361785	823170625	/nfs/dbraw/zinc/17/06/25/823170625.db2.gz	WCSAXMGJRHNPJQ-UHFFFAOYSA-N	1	1	391.515	4.084	20	30		GIEDMO
C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cc(Cl)c(OC)c(OCC)c1	ZINC000571366399	823172377	/nfs/dbraw/zinc/17/23/77/823172377.db2.gz	ZYXKKTPXTIUKEI-UHFFFAOYSA-N	1	1	379.884	4.411	20	30		GIEDMO
C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cc(Cl)c(OC)c(OCC)c1	ZINC000571366399	823172379	/nfs/dbraw/zinc/17/23/79/823172379.db2.gz	ZYXKKTPXTIUKEI-UHFFFAOYSA-N	1	1	379.884	4.411	20	30		GIEDMO
C#CCOc1ccccc1NC(=O)N(CC)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000188121593	823189724	/nfs/dbraw/zinc/18/97/24/823189724.db2.gz	BIIKPVXSCHDHFZ-OAQYLSRUSA-N	1	1	391.515	4.075	20	30		GIEDMO
C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)C2(c3ccc(C#N)cc3)CC2)C1	ZINC000188200281	823202234	/nfs/dbraw/zinc/20/22/34/823202234.db2.gz	OEPMLZIWTDMITH-IBGZPJMESA-N	1	1	387.527	4.138	20	30		GIEDMO
C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)C1(c2ccc(C#N)cc2)CC1	ZINC000188201187	823202491	/nfs/dbraw/zinc/20/24/91/823202491.db2.gz	KZSZPXQASMSVTJ-LJQANCHMSA-N	1	1	387.527	4.281	20	30		GIEDMO
N#CCc1ccc(OC[C@@H](O)C[N@H+]2CC3(CCCC3)[C@@H]2c2ccccc2)cc1	ZINC000459566661	823221536	/nfs/dbraw/zinc/22/15/36/823221536.db2.gz	HTGUAWXGLFRFAV-GMAHTHKFSA-N	1	1	376.500	4.110	20	30		GIEDMO
C=C(C)COc1cc(C[N@H+]2CCC[C@H](c3nnc4ccccn43)C2)ccc1OC	ZINC000121790637	823252055	/nfs/dbraw/zinc/25/20/55/823252055.db2.gz	DNDBUAOTTSQEHG-IBGZPJMESA-N	1	1	392.503	4.072	20	30		GIEDMO
Cc1[nH+]ccn1-c1ccc(CNC(=O)Nc2ccc(C#N)c(Cl)c2)cc1F	ZINC000409606609	823260335	/nfs/dbraw/zinc/26/03/35/823260335.db2.gz	AWXWZFJUUJXQSS-UHFFFAOYSA-N	1	1	383.814	4.167	20	30		GIEDMO
CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](Cc1ccccc1O)[C@@H](C)c1ccccc1	ZINC000176679707	823266036	/nfs/dbraw/zinc/26/60/36/823266036.db2.gz	WXXFTSYZUYIWCF-MBSDFSHPSA-N	1	1	379.504	4.010	20	30		GIEDMO
C[N@@H+](Cc1ccccc1CNC(=O)NCc1ccc(C#N)cc1)C1CCCCC1	ZINC000057286442	823276340	/nfs/dbraw/zinc/27/63/40/823276340.db2.gz	OQPHSHVPACYFCN-UHFFFAOYSA-N	1	1	390.531	4.322	20	30		GIEDMO
CC[N@@H+](Cc1ccc(C(=O)Nc2nc3c(cc2C#N)CCCC3)cc1)C(C)C	ZINC000121983660	823288513	/nfs/dbraw/zinc/28/85/13/823288513.db2.gz	MMBYBLPORLMUAU-UHFFFAOYSA-N	1	1	376.504	4.315	20	30		GIEDMO
C[C@H]1CCCC[N@H+]1CCC1CCN(c2ccc(C(F)(F)F)c(C#N)n2)CC1	ZINC000409720000	823290309	/nfs/dbraw/zinc/29/03/09/823290309.db2.gz	LISPNAWMDGELGD-HNNXBMFYSA-N	1	1	380.458	4.453	20	30		GIEDMO
COc1ccc2cc(C[N@H+](C)CC(=O)Nc3cc(Cl)ccc3C#N)ccc2c1	ZINC000007926571	817960968	/nfs/dbraw/zinc/96/09/68/817960968.db2.gz	CJOOGXFZOPEQTN-UHFFFAOYSA-N	1	1	393.874	4.444	20	30		GIEDMO
COc1ccc2cc(C[N@@H+](C)CC(=O)Nc3cc(Cl)ccc3C#N)ccc2c1	ZINC000007926571	817960976	/nfs/dbraw/zinc/96/09/76/817960976.db2.gz	CJOOGXFZOPEQTN-UHFFFAOYSA-N	1	1	393.874	4.444	20	30		GIEDMO
COc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)cc1	ZINC000015144243	818295667	/nfs/dbraw/zinc/29/56/67/818295667.db2.gz	TVAYVRFYMCDSQB-HNNXBMFYSA-N	1	1	397.544	4.356	20	30		GIEDMO
COc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)cc1	ZINC000015144243	818295676	/nfs/dbraw/zinc/29/56/76/818295676.db2.gz	TVAYVRFYMCDSQB-HNNXBMFYSA-N	1	1	397.544	4.356	20	30		GIEDMO
N#CCc1ccc(NC(=O)C[NH2+][C@@H](c2cccs2)c2ccc(F)cc2)cc1	ZINC000015358719	818316851	/nfs/dbraw/zinc/31/68/51/818316851.db2.gz	OXESYGYOWMLSML-OAQYLSRUSA-N	1	1	379.460	4.271	20	30		GIEDMO
Cc1ccc(NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1Cl	ZINC000016500844	818449817	/nfs/dbraw/zinc/44/98/17/818449817.db2.gz	PKVHKPIYDXTCEY-UHFFFAOYSA-N	1	1	382.895	4.260	20	30		GIEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=S)Nc3ccccc3Cl)CC2)cc1	ZINC000017517639	818517870	/nfs/dbraw/zinc/51/78/70/818517870.db2.gz	WYYJQPKLFOASMY-UHFFFAOYSA-N	1	1	384.936	4.116	20	30		GIEDMO
Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+](C)[C@H](C)c2ccccc2)c1C#N	ZINC000019542425	818594475	/nfs/dbraw/zinc/59/44/75/818594475.db2.gz	NIHIEJRSQYLEQM-GOSISDBHSA-N	1	1	390.487	4.249	20	30		GIEDMO
C=CCOc1ccc(CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1	ZINC000572508830	823351597	/nfs/dbraw/zinc/35/15/97/823351597.db2.gz	NTWPCSAKOMMSGX-SIKLNZKXSA-N	1	1	393.531	4.104	20	30		GIEDMO
CCn1c2ccccc2nc1[C@H]1CCC[N@H+]1CCC(=O)Nc1ccc(C#N)cc1	ZINC000177045729	823358864	/nfs/dbraw/zinc/35/88/64/823358864.db2.gz	LIQKICODVGEVAV-OAQYLSRUSA-N	1	1	387.487	4.094	20	30		GIEDMO
N#Cc1ccc(C[N@H+]2CCCN(Cc3csc(-c4cccs4)n3)CC2)cc1	ZINC000022850426	818867459	/nfs/dbraw/zinc/86/74/59/818867459.db2.gz	IVQZHMWPVDBNPG-UHFFFAOYSA-N	1	1	394.569	4.451	20	30		GIEDMO
CC(C)c1ccc(C[N@@H+](C[C@@H](O)COc2ccc(CC#N)cc2)C2CC2)cc1	ZINC000024101433	819024028	/nfs/dbraw/zinc/02/40/28/819024028.db2.gz	NFGSKGACWPZMDT-HSZRJFAPSA-N	1	1	378.516	4.280	20	30		GIEDMO
C=CC[C@H](C(=O)NCC1CC[NH+](Cc2csc(CC)n2)CC1)c1ccccc1	ZINC000189414888	823411073	/nfs/dbraw/zinc/41/10/73/823411073.db2.gz	JMWFVJSBAUXTPC-NRFANRHFSA-N	1	1	397.588	4.394	20	30		GIEDMO
CC[N@@H+](CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1)[C@@H]1CCOC(C)(C)C1	ZINC000572890855	823414879	/nfs/dbraw/zinc/41/48/79/823414879.db2.gz	OHLMEABAGFZZPS-GOSISDBHSA-N	1	1	391.943	4.175	20	30		GIEDMO
Cc1ccc(-c2ncc(C[N@H+]3CCCN(Cc4ccc(C#N)cc4)CC3)s2)o1	ZINC000122839514	823421269	/nfs/dbraw/zinc/42/12/69/823421269.db2.gz	PKQHJDQFCXSXBA-UHFFFAOYSA-N	1	1	392.528	4.291	20	30		GIEDMO
Cc1ccc(-c2ncc(CN3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)s2)o1	ZINC000122839514	823421274	/nfs/dbraw/zinc/42/12/74/823421274.db2.gz	PKQHJDQFCXSXBA-UHFFFAOYSA-N	1	1	392.528	4.291	20	30		GIEDMO
Cc1ccc(-c2ncc(CN3CCC[N@@H+](Cc4ccc(C#N)cc4)CC3)s2)o1	ZINC000122839514	823421277	/nfs/dbraw/zinc/42/12/77/823421277.db2.gz	PKQHJDQFCXSXBA-UHFFFAOYSA-N	1	1	392.528	4.291	20	30		GIEDMO
N#CCCCOc1cccc(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)c1	ZINC000122863639	823425494	/nfs/dbraw/zinc/42/54/94/823425494.db2.gz	VFYQOUWLEIACOP-HXUWFJFHSA-N	1	1	377.488	4.220	20	30		GIEDMO
Cc1[nH]c2c(cccc2C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1C	ZINC000024663870	819861173	/nfs/dbraw/zinc/86/11/73/819861173.db2.gz	XABNURNQYFABGE-UHFFFAOYSA-N	1	1	386.499	4.005	20	30		GIEDMO
C[C@@H]1C[NH+](Cc2ccc(C(=O)Nc3ccc(C(C)(C)C#N)cc3)cc2)C[C@@H](C)O1	ZINC000025119771	819932128	/nfs/dbraw/zinc/93/21/28/819932128.db2.gz	HQQCTXNVGXTSMB-QZTJIDSGSA-N	1	1	391.515	4.349	20	30		GIEDMO
N#CCc1ccc(OC[C@H](O)C[N@@H+]2Cc3ccccc3[C@H](c3ccccc3)C2)cc1	ZINC000025288199	819955525	/nfs/dbraw/zinc/95/55/25/819955525.db2.gz	VENQMZCTDGEFLR-BVAGGSTKSA-N	1	1	398.506	4.140	20	30		GIEDMO
C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H]1c1ccc(OC)cc1OC	ZINC000025301328	819958228	/nfs/dbraw/zinc/95/82/28/819958228.db2.gz	NGNAENPJOFQXAP-KNQAVFIVSA-N	1	1	397.515	4.009	20	30		GIEDMO
N#Cc1ccc(F)c(CN2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)c1	ZINC000025438754	819980110	/nfs/dbraw/zinc/98/01/10/819980110.db2.gz	BKSNRVHORPOLEH-UHFFFAOYSA-N	1	1	391.412	4.424	20	30		GIEDMO
CCN(C[C@@H]1CC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1)CC(F)(F)F	ZINC000177367481	823446745	/nfs/dbraw/zinc/44/67/45/823446745.db2.gz	NBFRIOVCPFZESK-INIZCTEOSA-N	1	1	392.387	4.263	20	30		GIEDMO
CCN(C[C@H]1CC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1)CC(F)(F)F	ZINC000177367498	823446767	/nfs/dbraw/zinc/44/67/67/823446767.db2.gz	NBFRIOVCPFZESK-MRXNPFEDSA-N	1	1	392.387	4.263	20	30		GIEDMO
CC(C)N(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1	ZINC000058880444	823465765	/nfs/dbraw/zinc/46/57/65/823465765.db2.gz	CJTWBZIEEJPZII-QHCPKHFHSA-N	1	1	375.516	4.207	20	30		GIEDMO
Cc1oc(NC(=O)[C@@H](C)[NH+]2CCC(CCc3ccccc3)CC2)c(C#N)c1C	ZINC000028119870	820312118	/nfs/dbraw/zinc/31/21/18/820312118.db2.gz	STMOJFDGDXWXQR-QGZVFWFLSA-N	1	1	379.504	4.440	20	30		GIEDMO
C=CCN1CC[C@@H]([N@H+](CC)[C@@H]2CCSc3ccc(Br)cc32)C1=O	ZINC000410349548	823470140	/nfs/dbraw/zinc/47/01/40/823470140.db2.gz	QFOOSHQTBKEGKO-HZPDHXFCSA-N	1	1	395.366	4.095	20	30		GIEDMO
C=CCN1CC[C@@H]([N@H+](CC)[C@H]2CCSc3ccc(Br)cc32)C1=O	ZINC000410349549	823470150	/nfs/dbraw/zinc/47/01/50/823470150.db2.gz	QFOOSHQTBKEGKO-JKSUJKDBSA-N	1	1	395.366	4.095	20	30		GIEDMO
Cc1cccc(N(CCC#N)C(=O)C[NH+]2CCC(OCC3CCCC3)CC2)c1C	ZINC000177486404	823473646	/nfs/dbraw/zinc/47/36/46/823473646.db2.gz	OOMNRZBBEGMUAG-UHFFFAOYSA-N	1	1	397.563	4.221	20	30		GIEDMO
C[N@H+](Cc1ccccc1NS(=O)(=O)c1ccccc1C#N)C1CCCCC1	ZINC000029384634	820448463	/nfs/dbraw/zinc/44/84/63/820448463.db2.gz	WFOQICWLQCWWLD-UHFFFAOYSA-N	1	1	383.517	4.124	20	30		GIEDMO
C[N@@H+](Cc1ccccc1NS(=O)(=O)c1ccccc1C#N)C1CCCCC1	ZINC000029384634	820448465	/nfs/dbraw/zinc/44/84/65/820448465.db2.gz	WFOQICWLQCWWLD-UHFFFAOYSA-N	1	1	383.517	4.124	20	30		GIEDMO
N#Cc1ccccc1-c1ccc(C[NH+]2CCN(C(=O)c3ccc(F)cc3)CC2)cc1	ZINC000029660921	820495063	/nfs/dbraw/zinc/49/50/63/820495063.db2.gz	LCJHAZGOJFRTOR-UHFFFAOYSA-N	1	1	399.469	4.322	20	30		GIEDMO
Cc1sc2nc(C[NH+]3CCCC3)nc(N(C)Cc3cccc(C#N)c3)c2c1C	ZINC000030522919	820630664	/nfs/dbraw/zinc/63/06/64/820630664.db2.gz	BYFMAJDGDRGVEM-UHFFFAOYSA-N	1	1	391.544	4.412	20	30		GIEDMO
COc1cc(OC)c(OC)cc1/C=C/C(=O)c1ccc(-n2cc[nH+]c2C)cc1	ZINC000177616557	823501948	/nfs/dbraw/zinc/50/19/48/823501948.db2.gz	DCLNBRVCCJXJHL-JXMROGBWSA-N	1	1	378.428	4.103	20	30		GIEDMO
C[N@H+](Cc1ccccc1CNCc1cnc2ccc(C#N)cn12)C1CCCCC1	ZINC000123410062	823506805	/nfs/dbraw/zinc/50/68/05/823506805.db2.gz	NNQIMXXJOITNQT-UHFFFAOYSA-N	1	1	387.531	4.260	20	30		GIEDMO
C[N@@H+](Cc1ccccc1CNCc1cnc2ccc(C#N)cn12)C1CCCCC1	ZINC000123410062	823506810	/nfs/dbraw/zinc/50/68/10/823506810.db2.gz	NNQIMXXJOITNQT-UHFFFAOYSA-N	1	1	387.531	4.260	20	30		GIEDMO
N#Cc1ccc(C[NH2+][C@@H]2CCCOc3c(Br)cccc32)c(F)c1	ZINC000177857963	823537144	/nfs/dbraw/zinc/53/71/44/823537144.db2.gz	GPPMXXFTOYVLEV-QGZVFWFLSA-N	1	1	375.241	4.463	20	30		GIEDMO
CC[N@@H+](CC(=O)Nc1ccc(N2CCCC2)cc1C)[C@@H](C)c1ccc(C#N)cc1	ZINC000042740993	821329475	/nfs/dbraw/zinc/32/94/75/821329475.db2.gz	QCUMYXPEIXHEIC-IBGZPJMESA-N	1	1	390.531	4.489	20	30		GIEDMO
CN(CCC#N)c1ccc(C[N@H+]2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)cc1	ZINC000180637628	821377870	/nfs/dbraw/zinc/37/78/70/821377870.db2.gz	XLVGMVBJQSNHQC-PKTZIBPZSA-N	1	1	381.495	4.264	20	30		GIEDMO
COc1ccc(C[N@@H+](Cc2ccc(O[C@H](C)C#N)cc2)[C@H](CO)C(C)C)cc1	ZINC000181154179	821667128	/nfs/dbraw/zinc/66/71/28/821667128.db2.gz	MNFVQYUNJAHUDG-WZONZLPQSA-N	1	1	382.504	4.005	20	30		GIEDMO
C=CCSc1ccccc1NC(=O)C[NH2+][C@H](COC)c1ccc(F)c(F)c1	ZINC000181410838	821811124	/nfs/dbraw/zinc/81/11/24/821811124.db2.gz	NHPRYQGNDBXNRS-GOSISDBHSA-N	1	1	392.471	4.159	20	30		GIEDMO
C[C@@H]([NH2+][C@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1)c1cccc(C#N)c1	ZINC000181836766	822012683	/nfs/dbraw/zinc/01/26/83/822012683.db2.gz	DTSORTDGIOXQHQ-UZUQRXQVSA-N	1	1	390.508	4.402	20	30		GIEDMO
CC[C@H]([NH2+]CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1)c1c(C)noc1C	ZINC000182510043	822275156	/nfs/dbraw/zinc/27/51/56/822275156.db2.gz	DZDOHJMDOYDNCG-SFHVURJKSA-N	1	1	388.899	4.241	20	30		GIEDMO
CCCN(Cc1ccc(C#N)cc1)C(=O)NCCC[N@@H+](C)Cc1ccccc1	ZINC000045126104	822364402	/nfs/dbraw/zinc/36/44/02/822364402.db2.gz	VECMQAUCSJPVAA-UHFFFAOYSA-N	1	1	378.520	4.002	20	30		GIEDMO
CC(C)(C)OC(=O)[C@@]1(C)CC[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1	ZINC000453599244	822391026	/nfs/dbraw/zinc/39/10/26/822391026.db2.gz	AEXPBXIBPRHZPZ-QHCPKHFHSA-N	1	1	394.519	4.017	20	30		GIEDMO
Cc1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccc(C#N)cc2)c(Br)c1	ZINC000046528611	822481699	/nfs/dbraw/zinc/48/16/99/822481699.db2.gz	LTODURVHMWOMFN-CQSZACIVSA-N	1	1	386.293	4.088	20	30		GIEDMO
Cc1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccc(C#N)cc2)c(Br)c1	ZINC000046528611	822481701	/nfs/dbraw/zinc/48/17/01/822481701.db2.gz	LTODURVHMWOMFN-CQSZACIVSA-N	1	1	386.293	4.088	20	30		GIEDMO
Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+](C)Cc2ccc(C#N)cc2)c1C#N	ZINC000046529355	822481931	/nfs/dbraw/zinc/48/19/31/822481931.db2.gz	UCEPBHJDRGTFJN-UHFFFAOYSA-N	1	1	389.503	4.034	20	30		GIEDMO
Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+](C)Cc2ccc(C#N)cc2)c1C#N	ZINC000046529355	822481933	/nfs/dbraw/zinc/48/19/33/822481933.db2.gz	UCEPBHJDRGTFJN-UHFFFAOYSA-N	1	1	389.503	4.034	20	30		GIEDMO
Cc1ccccc1[C@@H](C[NH+]1CCOCC1)Nc1cccc(OCCCC#N)c1	ZINC000183887198	822540847	/nfs/dbraw/zinc/54/08/47/822540847.db2.gz	NNLGKALCZARDNR-HSZRJFAPSA-N	1	1	379.504	4.163	20	30		GIEDMO
COc1ccccc1COC1CC[NH+](Cc2cn3ccccc3c2C#N)CC1	ZINC000179753459	822543335	/nfs/dbraw/zinc/54/33/35/822543335.db2.gz	PMVTZAMURZGCGK-UHFFFAOYSA-N	1	1	375.472	4.001	20	30		GIEDMO
C=CCOc1ccc(C[N@H+]2CCC[C@H](c3nnc4ccccn43)C2)cc1Cl	ZINC000179776327	822550648	/nfs/dbraw/zinc/55/06/48/822550648.db2.gz	PULOJLHCFCDUQH-KRWDZBQOSA-N	1	1	382.895	4.327	20	30		GIEDMO
C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C)C[C@H](C)c1nccs1	ZINC000183942681	822551196	/nfs/dbraw/zinc/55/11/96/822551196.db2.gz	NLDCWJCTMVMXQY-GJZGRUSLSA-N	1	1	388.562	4.069	20	30		GIEDMO
C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)C[C@H](C)c1nccs1	ZINC000183942681	822551197	/nfs/dbraw/zinc/55/11/97/822551197.db2.gz	NLDCWJCTMVMXQY-GJZGRUSLSA-N	1	1	388.562	4.069	20	30		GIEDMO
C[C@H]1CCC[N@@H+](CCCCNC(=O)c2ccccc2-c2ccccc2C#N)C1	ZINC000047187822	822552545	/nfs/dbraw/zinc/55/25/45/822552545.db2.gz	DOODOOQMNBCVDT-IBGZPJMESA-N	1	1	375.516	4.467	20	30		GIEDMO
Cc1cc([C@H]2CCC[N@H+]2CCC(=O)Nc2sc3c(c2C#N)CCCCC3)on1	ZINC000047273443	822560710	/nfs/dbraw/zinc/56/07/10/822560710.db2.gz	SDESYEDYNDXERL-QGZVFWFLSA-N	1	1	398.532	4.351	20	30		GIEDMO
C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C(C)(C)Cc2ccc(C#N)cc2)C1	ZINC000454961450	822563685	/nfs/dbraw/zinc/56/36/85/822563685.db2.gz	ZOGHGQDZYJFUJC-XMSQKQJNSA-N	1	1	375.516	4.079	20	30		GIEDMO
CCC[N@@H+](C)C[C@H]1CCN(C(=O)NCc2ccc(-c3ccccc3C#N)cc2)C1	ZINC000179878795	822570267	/nfs/dbraw/zinc/57/02/67/822570267.db2.gz	BWMMHXJKRRWZBT-HXUWFJFHSA-N	1	1	390.531	4.099	20	30		GIEDMO
C=CCC[C@@H]([NH2+]Cc1nc2cc(S(=O)(=O)CC)ccc2o1)c1ccccc1	ZINC000180042485	822603096	/nfs/dbraw/zinc/60/30/96/822603096.db2.gz	NGRANUCNVLZBFA-GOSISDBHSA-N	1	1	384.501	4.419	20	30		GIEDMO
C=CCC[C@H]([NH2+]Cc1nnnn1-c1ccccc1Br)c1ccccc1	ZINC000180050316	822604410	/nfs/dbraw/zinc/60/44/10/822604410.db2.gz	YUVVVNWVBGDCPC-KRWDZBQOSA-N	1	1	398.308	4.222	20	30		GIEDMO
C=CCC[C@@H]([NH2+]Cc1nnnn1-c1ccccc1Br)c1ccccc1	ZINC000180050334	822604459	/nfs/dbraw/zinc/60/44/59/822604459.db2.gz	YUVVVNWVBGDCPC-QGZVFWFLSA-N	1	1	398.308	4.222	20	30		GIEDMO
Cn1cc(C[NH2+]Cc2cc(F)ccc2Br)c(-c2ccc(C#N)cc2)n1	ZINC000180068774	822608738	/nfs/dbraw/zinc/60/87/38/822608738.db2.gz	AHWLSZARBTYZHX-UHFFFAOYSA-N	1	1	399.267	4.150	20	30		GIEDMO
C[N@H+]1CC[C@@H](NC(=O)c2ccccc2-c2ccccc2C#N)[C@@H]1c1ccccc1	ZINC000180113201	822617815	/nfs/dbraw/zinc/61/78/15/822617815.db2.gz	XKHFPKZJXFNZGJ-RPWUZVMVSA-N	1	1	381.479	4.400	20	30		GIEDMO
C[C@@H]1C[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@H](c2ccc(F)cc2)O1	ZINC000180188896	822635664	/nfs/dbraw/zinc/63/56/64/822635664.db2.gz	HQOXNSDZHLTOFW-OPAMFIHVSA-N	1	1	390.462	4.060	20	30		GIEDMO
C[C@@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@H](c2ccc(F)cc2)O1	ZINC000180188896	822635665	/nfs/dbraw/zinc/63/56/65/822635665.db2.gz	HQOXNSDZHLTOFW-OPAMFIHVSA-N	1	1	390.462	4.060	20	30		GIEDMO
Cn1cc(C[N@H+]2CCC[C@@H]2C[C@H](O)c2cccs2)c(-c2ccc(C#N)cc2)n1	ZINC000180257788	822649618	/nfs/dbraw/zinc/64/96/18/822649618.db2.gz	YSNBMQHZGXMELJ-UXHICEINSA-N	1	1	392.528	4.108	20	30		GIEDMO
C[C@@H](CNC(=O)Nc1ccc(CC#N)cc1Cl)[N@@H+]1CCc2sccc2C1	ZINC000455696592	822704864	/nfs/dbraw/zinc/70/48/64/822704864.db2.gz	CMIJTDGWFBJTQS-ZDUSSCGKSA-N	1	1	388.924	4.036	20	30		GIEDMO
C[C@@H](CNC(=O)Nc1ccc(CC#N)cc1Cl)[N@H+]1CCc2sccc2C1	ZINC000455696592	822704866	/nfs/dbraw/zinc/70/48/66/822704866.db2.gz	CMIJTDGWFBJTQS-ZDUSSCGKSA-N	1	1	388.924	4.036	20	30		GIEDMO
N#CCc1ccc(NC(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c(Cl)c1	ZINC000455705945	822708126	/nfs/dbraw/zinc/70/81/26/822708126.db2.gz	PIAJGBIDWIRRMO-GOSISDBHSA-N	1	1	382.895	4.192	20	30		GIEDMO
C=CCOc1cccc(NC(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c1	ZINC000050059260	822716661	/nfs/dbraw/zinc/71/66/61/822716661.db2.gz	IZJZSCVNFFGYSP-KRWDZBQOSA-N	1	1	385.533	4.347	20	30		GIEDMO
Cc1cccc(C[NH+]2CCN(C(=O)Nc3ccc(CC#N)cc3Cl)CC2)c1	ZINC000455761353	822721586	/nfs/dbraw/zinc/72/15/86/822721586.db2.gz	ZLTNGXWKJXLFNG-UHFFFAOYSA-N	1	1	382.895	4.064	20	30		GIEDMO
C=CCOc1ccc(C[N@H+](Cc2cc(-c3cnn(C)c3)no2)C(C)(C)C)cc1	ZINC000185025065	822726630	/nfs/dbraw/zinc/72/66/30/822726630.db2.gz	AEXYMQCNPJGPQN-UHFFFAOYSA-N	1	1	380.492	4.441	20	30		GIEDMO
C[C@H]1C[C@@H](NC(=O)C(C)(C)Cc2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1	ZINC000455876457	822741042	/nfs/dbraw/zinc/74/10/42/822741042.db2.gz	OMOFGCJKJRKAOX-CVDCTZTESA-N	1	1	389.543	4.296	20	30		GIEDMO
C[N@H+](CC(=O)N(CCC#N)c1ccccc1)C[C@@H]1CCCO[C@@H]1c1ccccc1	ZINC000051133471	822747728	/nfs/dbraw/zinc/74/77/28/822747728.db2.gz	ZTLBUDSODQTAST-XUZZJYLKSA-N	1	1	391.515	4.033	20	30		GIEDMO
COc1ccc([C@H]2CCC[N@@H+]2CC(=O)N(CCC#N)c2cccc(C)c2C)cc1	ZINC000051560121	822765962	/nfs/dbraw/zinc/76/59/62/822765962.db2.gz	HLBSTSQGYSXLIC-HSZRJFAPSA-N	1	1	391.515	4.396	20	30		GIEDMO
COc1ccc([C@H]2CCC[N@H+]2CC(=O)N(CCC#N)c2cccc(C)c2C)cc1	ZINC000051560121	822765967	/nfs/dbraw/zinc/76/59/67/822765967.db2.gz	HLBSTSQGYSXLIC-HSZRJFAPSA-N	1	1	391.515	4.396	20	30		GIEDMO
CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1cc(C)cc(C#N)c1	ZINC000456012795	822766360	/nfs/dbraw/zinc/76/63/60/822766360.db2.gz	WDZGRQRFNHVMLB-FQEVSTJZSA-N	1	1	376.504	4.243	20	30		GIEDMO
CC[C@@H](C#N)Oc1cc(CNC2CC[NH+](Cc3ccccc3)CC2)ccc1OC	ZINC000174386878	822782008	/nfs/dbraw/zinc/78/20/08/822782008.db2.gz	AINGMWICBXJBKQ-QFIPXVFZSA-N	1	1	393.531	4.130	20	30		GIEDMO
C[C@H]1CN(C(=O)C(C)(C)Cc2ccc(C#N)cc2)CC[N@@H+](Cc2ccccc2)C1	ZINC000456308061	822796817	/nfs/dbraw/zinc/79/68/17/822796817.db2.gz	ONMXGGKDOZNYFM-HXUWFJFHSA-N	1	1	389.543	4.107	20	30		GIEDMO
CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)C1	ZINC000174514529	822799623	/nfs/dbraw/zinc/79/96/23/822799623.db2.gz	HUODTUADFAILKO-INIZCTEOSA-N	1	1	397.906	4.418	20	30		GIEDMO
C[N@H+](CC(=O)N1Cc2ccccc2[C@H](c2ccccc2)C1)Cc1cccc(C#N)c1	ZINC000052580415	822804361	/nfs/dbraw/zinc/80/43/61/822804361.db2.gz	YULZLFJKGLZHFK-VWLOTQADSA-N	1	1	395.506	4.164	20	30		GIEDMO
C[N@@H+](CC(=O)N1Cc2ccccc2[C@H](c2ccccc2)C1)Cc1cccc(C#N)c1	ZINC000052580415	822804363	/nfs/dbraw/zinc/80/43/63/822804363.db2.gz	YULZLFJKGLZHFK-VWLOTQADSA-N	1	1	395.506	4.164	20	30		GIEDMO
N#C[C@@H](c1ccccc1)N1CC[NH+](Cc2ccc(OCc3ccccn3)cc2)CC1	ZINC000174578576	822807438	/nfs/dbraw/zinc/80/74/38/822807438.db2.gz	POQYEKTYQSLXFC-VWLOTQADSA-N	1	1	398.510	4.043	20	30		GIEDMO
CC[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)[C@H](C)c1cccc(O)c1	ZINC000174617415	822813050	/nfs/dbraw/zinc/81/30/50/822813050.db2.gz	DDFUALVYIKJUBV-CQSZACIVSA-N	1	1	383.517	4.226	20	30		GIEDMO
N#Cc1cccc(NC(=O)CC[N@H+]2CCC[C@@H]2c2nc3ccccc3s2)c1	ZINC000174655723	822818773	/nfs/dbraw/zinc/81/87/73/822818773.db2.gz	BLUMDAXTXWSPPO-GOSISDBHSA-N	1	1	376.485	4.334	20	30		GIEDMO
N#CCc1cccc(NC(=O)[C@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)c1	ZINC000456739547	822828451	/nfs/dbraw/zinc/82/84/51/822828451.db2.gz	VOECCNSXMHHUQA-FQEVSTJZSA-N	1	1	387.405	4.146	20	30		GIEDMO
C[N@@H+](CCCCNC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)C1CC1	ZINC000457196229	822860195	/nfs/dbraw/zinc/86/01/95/822860195.db2.gz	HTYTYNRLCRBENU-UHFFFAOYSA-N	1	1	377.488	4.149	20	30		GIEDMO
COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1C[C@H](C)[C@H]1c1ccccc1	ZINC000174975030	822863208	/nfs/dbraw/zinc/86/32/08/822863208.db2.gz	PMYHZBOPGQLGIN-SPEDKVCISA-N	1	1	377.488	4.023	20	30		GIEDMO
COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1C[C@H](C)[C@H]1c1ccccc1	ZINC000174975030	822863213	/nfs/dbraw/zinc/86/32/13/822863213.db2.gz	PMYHZBOPGQLGIN-SPEDKVCISA-N	1	1	377.488	4.023	20	30		GIEDMO
COc1ccccc1[C@H](CNC(=O)N[C@H](CCCC#N)c1ccccc1)[NH+](C)C	ZINC000457453012	822876408	/nfs/dbraw/zinc/87/64/08/822876408.db2.gz	IQDGDVQESRGRAV-RTWAWAEBSA-N	1	1	394.519	4.032	20	30		GIEDMO
Cc1[nH+]ccn1CCCNC(=O)c1ccccc1Sc1ccccc1C#N	ZINC000054351966	822877872	/nfs/dbraw/zinc/87/78/72/822877872.db2.gz	COBZBDYOFGGUGV-UHFFFAOYSA-N	1	1	376.485	4.035	20	30		GIEDMO
C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H](CC(=O)NCc2ccc(F)cc2)C1	ZINC000569337022	822908990	/nfs/dbraw/zinc/90/89/90/822908990.db2.gz	YJCPVXRPZTWDMR-XLIONFOSSA-N	1	1	379.479	4.177	20	30		GIEDMO
C[N@@H+](CCC(F)(F)F)[C@H](CNc1ccc(C#N)cn1)c1ccc(Cl)cc1	ZINC000569340092	822909300	/nfs/dbraw/zinc/90/93/00/822909300.db2.gz	WWORGZYMVZDKGT-MRXNPFEDSA-N	1	1	382.817	4.066	20	30		GIEDMO
C=C(C)Cn1c(-c2c[nH]c3ccccc32)nnc1N(C)[C@H]1CC[N@H+](CC)[C@@H](C)C1	ZINC000460948461	823548683	/nfs/dbraw/zinc/54/86/83/823548683.db2.gz	WKRGESSPKAGLEE-ROUUACIJSA-N	1	1	392.551	4.312	20	30		GIEDMO
C[C@H]1C[C@@H](N(C)C(=O)c2ccccc2Sc2ccccc2C#N)CC[N@H+]1C	ZINC000123951199	823554650	/nfs/dbraw/zinc/55/46/50/823554650.db2.gz	DYMIPJGTSAVGSA-WMZOPIPTSA-N	1	1	379.529	4.264	20	30		GIEDMO
N#Cc1ccc(C[N@H+](CCC(=O)Nc2ccccc2Br)C2CC2)cc1	ZINC000411197754	823556552	/nfs/dbraw/zinc/55/65/52/823556552.db2.gz	WPYJPPQYPKPDFT-UHFFFAOYSA-N	1	1	398.304	4.314	20	30		GIEDMO
CCC[N@@H+](CC(=O)N[C@@H](c1ccc(OC)cc1)C1CC1)Cc1ccc(C#N)cc1	ZINC000061001958	823572109	/nfs/dbraw/zinc/57/21/09/823572109.db2.gz	OTSQTPLATPFIGY-XMMPIXPASA-N	1	1	391.515	4.046	20	30		GIEDMO
C=CCC[C@@H]([NH2+]Cc1ccc(S(C)(=O)=O)o1)c1ccc(C(F)(F)F)cc1	ZINC000411485472	823580469	/nfs/dbraw/zinc/58/04/69/823580469.db2.gz	QXDMMCPBRMKZSB-MRXNPFEDSA-N	1	1	387.423	4.499	20	30		GIEDMO
C[C@@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cc(Cl)ccc1Cl	ZINC000190609535	823591223	/nfs/dbraw/zinc/59/12/23/823591223.db2.gz	GKUKVITZAZCJIR-BFUOFWGJSA-N	1	1	388.298	4.317	20	30		GIEDMO
C=CCN(CCc1ccccc1)C(=O)Nc1ccccc1C[NH+]1CCSCC1	ZINC000061788541	823614287	/nfs/dbraw/zinc/61/42/87/823614287.db2.gz	YXEWQWGSNCSYBV-UHFFFAOYSA-N	1	1	395.572	4.498	20	30		GIEDMO
C=CCc1ccccc1OC[C@H](O)C[N@H+]1CC2(CCOCC2)[C@H]1c1ccccc1	ZINC000411999614	823619934	/nfs/dbraw/zinc/61/99/34/823619934.db2.gz	NBVCPLSQXQZHKQ-ISKFKSNPSA-N	1	1	393.527	4.009	20	30		GIEDMO
C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H](O)COc1cccc2ccccc21	ZINC000063297548	823660608	/nfs/dbraw/zinc/66/06/08/823660608.db2.gz	MCUKJODJYVMZMJ-NRFANRHFSA-N	1	1	392.455	4.176	20	30		GIEDMO
C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H](O)COc1cccc2ccccc21	ZINC000063297548	823660611	/nfs/dbraw/zinc/66/06/11/823660611.db2.gz	MCUKJODJYVMZMJ-NRFANRHFSA-N	1	1	392.455	4.176	20	30		GIEDMO
CC(C)(C)c1ccc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)s1	ZINC000125277027	823664194	/nfs/dbraw/zinc/66/41/94/823664194.db2.gz	BRFSPWUDGTWSMY-UHFFFAOYSA-N	1	1	381.545	4.265	20	30		GIEDMO
CC(C)(C)c1ccc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)s1	ZINC000125277027	823664196	/nfs/dbraw/zinc/66/41/96/823664196.db2.gz	BRFSPWUDGTWSMY-UHFFFAOYSA-N	1	1	381.545	4.265	20	30		GIEDMO
C=CCn1c(C)nn(C[NH2+]C2(c3ccc(Br)cc3)CCC2)c1=S	ZINC000063506794	823676835	/nfs/dbraw/zinc/67/68/35/823676835.db2.gz	BXPNKIKYDSOQCC-UHFFFAOYSA-N	1	1	393.354	4.298	20	30		GIEDMO
C=CC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1ccc(OC)cc1	ZINC000063549554	823678858	/nfs/dbraw/zinc/67/88/58/823678858.db2.gz	QWPNEKJJZCNHQT-UHFFFAOYSA-N	1	1	395.528	4.134	20	30		GIEDMO
CC(C)C(=O)N1CCC[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)CC1	ZINC000191477147	823689175	/nfs/dbraw/zinc/68/91/75/823689175.db2.gz	ZEWVMDWSKFCMHG-UHFFFAOYSA-N	1	1	389.543	4.077	20	30		GIEDMO
C=CCc1cccc(C(C)C)c1NC(=O)NCCCCN1CC[NH+](CC)CC1	ZINC000191486582	823690212	/nfs/dbraw/zinc/69/02/12/823690212.db2.gz	DINGEZKJHUVOFD-UHFFFAOYSA-N	1	1	386.584	4.078	20	30		GIEDMO
CCOc1ccc(NC(=O)C[N@H+](Cc2ccc(C#N)cc2)C(C)C)cc1OCC	ZINC000063751193	823693464	/nfs/dbraw/zinc/69/34/64/823693464.db2.gz	PEAKRCPXYABOGL-UHFFFAOYSA-N	1	1	395.503	4.205	20	30		GIEDMO
CCOc1ccc(NC(=O)C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)cc1OCC	ZINC000063751193	823693468	/nfs/dbraw/zinc/69/34/68/823693468.db2.gz	PEAKRCPXYABOGL-UHFFFAOYSA-N	1	1	395.503	4.205	20	30		GIEDMO
CC(C)[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(C(=O)NCc2ccco2)c1	ZINC000063750340	823693524	/nfs/dbraw/zinc/69/35/24/823693524.db2.gz	PBNVNNGVPDBTBK-UHFFFAOYSA-N	1	1	387.483	4.492	20	30		GIEDMO
C=C[C@](C)(CC)C(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1	ZINC000412979575	823696504	/nfs/dbraw/zinc/69/65/04/823696504.db2.gz	ZMGNVBWXIHEABA-LJQANCHMSA-N	1	1	379.342	4.132	20	30		GIEDMO
CCc1ccc([C@@H]2C[N@H+](Cc3cn(C)nc3-c3ccc(C#N)cc3)CCO2)cc1	ZINC000191668516	823727935	/nfs/dbraw/zinc/72/79/35/823727935.db2.gz	NERFGQCFLHDSRD-QHCPKHFHSA-N	1	1	386.499	4.095	20	30		GIEDMO
CCc1ccc([C@@H]2C[N@@H+](Cc3cn(C)nc3-c3ccc(C#N)cc3)CCO2)cc1	ZINC000191668516	823727940	/nfs/dbraw/zinc/72/79/40/823727940.db2.gz	NERFGQCFLHDSRD-QHCPKHFHSA-N	1	1	386.499	4.095	20	30		GIEDMO
N#Cc1ccc(Br)c(C[NH+]2CCC(C(=O)Nc3ccccc3)CC2)c1	ZINC000191772601	823763001	/nfs/dbraw/zinc/76/30/01/823763001.db2.gz	LTDSAYYSUDNMLU-UHFFFAOYSA-N	1	1	398.304	4.171	20	30		GIEDMO
C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccccc2Sc2ccccc2C#N)C1	ZINC000164140472	823780707	/nfs/dbraw/zinc/78/07/07/823780707.db2.gz	ZWEQNMHLNLMZHY-UYAOXDASSA-N	1	1	391.540	4.266	20	30		GIEDMO
COc1ccc(OC)c([C@@H](C)[NH2+]Cc2cc(C#N)ccc2Br)c1	ZINC000191819971	823781614	/nfs/dbraw/zinc/78/16/14/823781614.db2.gz	NMUAZJPKHBNMFC-GFCCVEGCSA-N	1	1	375.266	4.189	20	30		GIEDMO
C[C@H](NCc1cc(C#N)ccc1Br)[C@@H]1CCC[N@H+](C2CCC2)C1	ZINC000191825066	823784831	/nfs/dbraw/zinc/78/48/31/823784831.db2.gz	ZWSGOAGSFINVCT-GOEBONIOSA-N	1	1	376.342	4.063	20	30		GIEDMO
C[C@H](NCc1cc(C#N)ccc1Br)[C@H]1CCC[N@H+](C2CCC2)C1	ZINC000191825096	823785660	/nfs/dbraw/zinc/78/56/60/823785660.db2.gz	ZWSGOAGSFINVCT-HOCLYGCPSA-N	1	1	376.342	4.063	20	30		GIEDMO
CCSc1cccc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1	ZINC000126161511	823803213	/nfs/dbraw/zinc/80/32/13/823803213.db2.gz	CGHUXWXGCXNLCE-UHFFFAOYSA-N	1	1	379.529	4.018	20	30		GIEDMO
CCSc1cccc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1	ZINC000126161511	823803224	/nfs/dbraw/zinc/80/32/24/823803224.db2.gz	CGHUXWXGCXNLCE-UHFFFAOYSA-N	1	1	379.529	4.018	20	30		GIEDMO
C=CCn1c(-c2ccncc2)nn(C[N@@H+](C)C2C3CC4CC(C3)CC2C4)c1=S	ZINC000126208404	823812249	/nfs/dbraw/zinc/81/22/49/823812249.db2.gz	LTYUMILKYKPUIW-UHFFFAOYSA-N	1	1	395.576	4.376	20	30		GIEDMO
C=CCn1c(-c2ccncc2)nn(C[N@H+](C)C2C3CC4CC(C3)CC2C4)c1=S	ZINC000126208404	823812252	/nfs/dbraw/zinc/81/22/52/823812252.db2.gz	LTYUMILKYKPUIW-UHFFFAOYSA-N	1	1	395.576	4.376	20	30		GIEDMO
CC[N@@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)[C@H](C)c1ccc(C#N)cc1	ZINC000164982151	823827874	/nfs/dbraw/zinc/82/78/74/823827874.db2.gz	MUVHNWCPHHPNOQ-MRXNPFEDSA-N	1	1	380.448	4.187	20	30		GIEDMO
Cc1cc(N2CCC(Nc3cc(C#N)ccc3C(F)(F)F)CC2)nc(C)[nH+]1	ZINC000126456965	823872229	/nfs/dbraw/zinc/87/22/29/823872229.db2.gz	VMVCIHGUOYMUAX-UHFFFAOYSA-N	1	1	375.398	4.065	20	30		GIEDMO
C/C(=C\c1nc2c(s1)C[N@@H+](C(C)C)CC2)c1nc2ccccc2n1CC#N	ZINC000414084294	823905038	/nfs/dbraw/zinc/90/50/38/823905038.db2.gz	WUSWOHCAPUPNNJ-NTCAYCPXSA-N	1	1	377.517	4.343	20	30		GIEDMO
C[N@@H+](CCCc1cc(-c2ccccc2)no1)CCC(=O)Nc1cccc(C#N)c1	ZINC000170647078	823925658	/nfs/dbraw/zinc/92/56/58/823925658.db2.gz	BLZCPQOUABQPAO-UHFFFAOYSA-N	1	1	388.471	4.106	20	30		GIEDMO
C[C@H](C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1)c1cccc(C#N)c1	ZINC000462336178	823929678	/nfs/dbraw/zinc/92/96/78/823929678.db2.gz	AKHUIWJFBFUTTP-ZDUSSCGKSA-N	1	1	386.293	4.125	20	30		GIEDMO
COc1ccccc1-c1nc(C2CC[NH+](CC#Cc3ccc(F)cc3)CC2)no1	ZINC000192340153	823952008	/nfs/dbraw/zinc/95/20/08/823952008.db2.gz	LATVLISOIDKSLL-UHFFFAOYSA-N	1	1	391.446	4.115	20	30		GIEDMO
Cc1[nH+]ccn1-c1ccc(CNc2c(C#N)cnc3c(C)cc(F)cc32)cc1F	ZINC000462388242	823955268	/nfs/dbraw/zinc/95/52/68/823955268.db2.gz	KFIFRXVVTJJRNT-UHFFFAOYSA-N	1	1	389.409	4.221	20	30		GIEDMO
C[C@H](C(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1cccc(C#N)c1	ZINC000462434494	823973805	/nfs/dbraw/zinc/97/38/05/823973805.db2.gz	CXGKXLDESBWSIV-UGKGYDQZSA-N	1	1	375.516	4.080	20	30		GIEDMO
C=C(C)COc1cc(C[N@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)ccc1OC	ZINC000575769913	823989846	/nfs/dbraw/zinc/98/98/46/823989846.db2.gz	ROWQJIVGEJZWOH-GOSISDBHSA-N	1	1	382.508	4.025	20	30		GIEDMO
C=C(C)COc1cc(C[N@@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)ccc1OC	ZINC000575769913	823989853	/nfs/dbraw/zinc/98/98/53/823989853.db2.gz	ROWQJIVGEJZWOH-GOSISDBHSA-N	1	1	382.508	4.025	20	30		GIEDMO
C=C(C)COc1cc(C[N@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)ccc1OC	ZINC000575769913	823989858	/nfs/dbraw/zinc/98/98/58/823989858.db2.gz	ROWQJIVGEJZWOH-GOSISDBHSA-N	1	1	382.508	4.025	20	30		GIEDMO
CC(C)C[N@@H+](CCC(=O)Nc1ccccc1C#N)[C@@H]1CCCc2cccnc21	ZINC000127072859	824011543	/nfs/dbraw/zinc/01/15/43/824011543.db2.gz	BOQSAJJYFXHALC-OAQYLSRUSA-N	1	1	376.504	4.317	20	30		GIEDMO
N#Cc1nc(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c(Cl)cc1Cl	ZINC001164623333	719108669	/nfs/dbraw/zinc/10/86/69/719108669.db2.gz	CMLJLMRSZFIYQS-BEFAXECRSA-N	1	1	387.314	4.361	20	30		GIEDMO
C[C@@H]1C[N@H+](C)[C@H](C)CN1C(F)(F)c1cnc(Cl)c(-c2cccc(C#N)c2)c1	ZINC001164633344	719257317	/nfs/dbraw/zinc/25/73/17/719257317.db2.gz	LBKSRVDYCPRDIJ-ZIAGYGMSSA-N	1	1	390.865	4.347	20	30		GIEDMO
C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(F)(F)c1cnc(Cl)c(-c2cccc(C#N)c2)c1	ZINC001164633344	719257321	/nfs/dbraw/zinc/25/73/21/719257321.db2.gz	LBKSRVDYCPRDIJ-ZIAGYGMSSA-N	1	1	390.865	4.347	20	30		GIEDMO
Cc1nc(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)c(Cl)cc1C#N	ZINC001164795594	721503856	/nfs/dbraw/zinc/50/38/56/721503856.db2.gz	MJGOFMFKWDIAAU-UHFFFAOYSA-N	1	1	395.938	4.191	20	30		GIEDMO
C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nccc4ccc(C#N)cc43)C[C@@H]21	ZINC001165029505	721808924	/nfs/dbraw/zinc/80/89/24/721808924.db2.gz	ZOCMSSDQLZVGEX-NKKJXINNSA-N	1	1	397.526	4.238	20	30		GIEDMO
C[C@@H]1C[C@@H](NC(=O)N[C@@H](CCCC#N)c2ccccc2)C[N@H+]1Cc1ccccc1	ZINC000458574298	823058246	/nfs/dbraw/zinc/05/82/46/823058246.db2.gz	XFWMCSUKYUFFEK-PTUXOGIPSA-N	1	1	390.531	4.384	20	30		GIEDMO
C=CCOc1ccc(C[NH2+][C@H](c2cnn(C)c2)c2ccc(F)cc2)cc1OC	ZINC000187521577	823080611	/nfs/dbraw/zinc/08/06/11/823080611.db2.gz	UOBNOXCMUFWYRD-QFIPXVFZSA-N	1	1	381.451	4.012	20	30		GIEDMO
CN(C(=O)N[C@@H](CCCC#N)c1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000458799966	823087576	/nfs/dbraw/zinc/08/75/76/823087576.db2.gz	KSVHJLRAYZUSIK-GOTSBHOMSA-N	1	1	390.531	4.337	20	30		GIEDMO
Cc1cccc(C[NH+]2CCN(C(=O)N[C@@H](CCCC#N)c3ccccc3)CC2)c1	ZINC000458808270	823089837	/nfs/dbraw/zinc/08/98/37/823089837.db2.gz	YVWXKXKWAGLNRU-QHCPKHFHSA-N	1	1	390.531	4.257	20	30		GIEDMO
N#CCSc1cccc(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c1	ZINC000176034424	823101753	/nfs/dbraw/zinc/10/17/53/823101753.db2.gz	VKFDWNLHWILHQW-INIZCTEOSA-N	1	1	385.558	4.006	20	30		GIEDMO
C=C(C)[C@@H]([NH2+][C@H](C)C(=O)Nc1cc(OC)ccc1OC)c1ccc(F)c(F)c1	ZINC000187757059	823126553	/nfs/dbraw/zinc/12/65/53/823126553.db2.gz	FLKIJIHYSUJCRG-ZUOKHONESA-N	1	1	390.430	4.216	20	30		GIEDMO
CCN(C(=O)NCc1ccc(C#N)c(F)c1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1	ZINC000459109284	823128994	/nfs/dbraw/zinc/12/89/94/823128994.db2.gz	DVNLMNPAALWIQF-LAUBAEHRSA-N	1	1	394.494	4.064	20	30		GIEDMO
C[C@H](C#N)Oc1ccccc1NC(=O)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1	ZINC000187797989	823135442	/nfs/dbraw/zinc/13/54/42/823135442.db2.gz	ZTJVJKDDQDXYMI-DYESRHJHSA-N	1	1	392.503	4.010	20	30		GIEDMO
N#Cc1ccc(NC(=O)N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)cc1F	ZINC000571129241	823137422	/nfs/dbraw/zinc/13/74/22/823137422.db2.gz	JBILTGSHZXYZMN-UHFFFAOYSA-N	1	1	392.478	4.217	20	30		GIEDMO
CCOc1cc(C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)cc(Cl)c1O	ZINC000459334173	823163230	/nfs/dbraw/zinc/16/32/30/823163230.db2.gz	FRSREHOJLDFFAJ-UHFFFAOYSA-N	1	1	386.879	4.359	20	30		GIEDMO
C[N@@H+](CCC(F)(F)F)[C@H](CNc1ccnc(C#N)c1)c1ccc(Cl)cc1	ZINC000571309136	823163372	/nfs/dbraw/zinc/16/33/72/823163372.db2.gz	BJJLIBHFICSFTB-QGZVFWFLSA-N	1	1	382.817	4.066	20	30		GIEDMO
C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1ccc(OCc2ccccn2)cc1	ZINC000571360071	823170741	/nfs/dbraw/zinc/17/07/41/823170741.db2.gz	YYYDHUQAUCDAKU-UHFFFAOYSA-N	1	1	387.483	4.181	20	30		GIEDMO
CCC[N@H+](Cc1c(C#N)cccc1[N+](=O)[O-])[C@H](C)CC(=O)Nc1ccccc1	ZINC000459440131	823192247	/nfs/dbraw/zinc/19/22/47/823192247.db2.gz	WWLCJUYYDDQQCL-MRXNPFEDSA-N	1	1	380.448	4.096	20	30		GIEDMO
CCC[N@@H+](Cc1c(C#N)cccc1[N+](=O)[O-])[C@H](C)CC(=O)Nc1ccccc1	ZINC000459440131	823192251	/nfs/dbraw/zinc/19/22/51/823192251.db2.gz	WWLCJUYYDDQQCL-MRXNPFEDSA-N	1	1	380.448	4.096	20	30		GIEDMO
N#Cc1ccc(N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c(Br)c1	ZINC000409636803	823269118	/nfs/dbraw/zinc/26/91/18/823269118.db2.gz	URXCUONTZWZVDJ-HNNXBMFYSA-N	1	1	385.309	4.238	20	30		GIEDMO
N#Cc1cc(Br)ccc1N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1	ZINC000409671277	823279493	/nfs/dbraw/zinc/27/94/93/823279493.db2.gz	VFFRPTNMKGNUJY-AWEZNQCLSA-N	1	1	385.309	4.238	20	30		GIEDMO
N#Cc1ccc(C2(C(=O)N3CC[C@H]4[C@H](CCC[N@H+]4Cc4ccccc4)C3)CC2)cc1	ZINC000188648513	823279986	/nfs/dbraw/zinc/27/99/86/823279986.db2.gz	FGLPFZDHQRKWIK-VWNXMTODSA-N	1	1	399.538	4.103	20	30		GIEDMO
CC[N@@H+](CCC1CCN(c2ccc(C(F)(F)F)c(C#N)n2)CC1)CC1CC1	ZINC000409713391	823288893	/nfs/dbraw/zinc/28/88/93/823288893.db2.gz	CQEYYORXIZYXQF-UHFFFAOYSA-N	1	1	380.458	4.310	20	30		GIEDMO
Cc1cc(C)c(NC(=O)CO[NH+]=C(N)C23CC4CC(CC(C4)C2)C3)c(Cl)c1	ZINC000014371116	818239333	/nfs/dbraw/zinc/23/93/33/818239333.db2.gz	UQEAKURUFNXZAC-UHFFFAOYSA-N	1	1	389.927	4.401	20	30		GIEDMO
C=CCn1c(=S)n(C[N@@H+]2CCC[C@H]2Cc2ccccc2)nc1-c1ccncc1	ZINC000122277605	823331507	/nfs/dbraw/zinc/33/15/07/823331507.db2.gz	AZRAJZZHXJYAHD-FQEVSTJZSA-N	1	1	391.544	4.327	20	30		GIEDMO
C=CCn1c(=S)n(C[N@H+]2CCC[C@H]2Cc2ccccc2)nc1-c1ccncc1	ZINC000122277605	823331514	/nfs/dbraw/zinc/33/15/14/823331514.db2.gz	AZRAJZZHXJYAHD-FQEVSTJZSA-N	1	1	391.544	4.327	20	30		GIEDMO
N#Cc1ccsc1N1CC[C@H]([NH+]2CCC(c3c[nH]c4ccccc43)CC2)C1=O	ZINC000176996855	823345866	/nfs/dbraw/zinc/34/58/66/823345866.db2.gz	BKKDYLGEZVDDGI-FQEVSTJZSA-N	1	1	390.512	4.086	20	30		GIEDMO
Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+](C)[C@@H](C)c2ccccc2)c1C#N	ZINC000019542426	818594410	/nfs/dbraw/zinc/59/44/10/818594410.db2.gz	NIHIEJRSQYLEQM-SFHVURJKSA-N	1	1	390.487	4.249	20	30		GIEDMO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3cc4cc(F)ccc4s3)CC2)cc1	ZINC000023753287	818979957	/nfs/dbraw/zinc/97/99/57/818979957.db2.gz	YRLQQABQXCNHKY-UHFFFAOYSA-N	1	1	393.487	4.260	20	30		GIEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cc4cc(F)ccc4s3)CC2)cc1	ZINC000023753287	818979963	/nfs/dbraw/zinc/97/99/63/818979963.db2.gz	YRLQQABQXCNHKY-UHFFFAOYSA-N	1	1	393.487	4.260	20	30		GIEDMO
CSc1ccc(Cl)c(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1	ZINC000023752845	818980166	/nfs/dbraw/zinc/98/01/66/818980166.db2.gz	NUYLYXYLBMTQQP-UHFFFAOYSA-N	1	1	399.947	4.282	20	30		GIEDMO
CSc1ccc(Cl)c(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1	ZINC000023752845	818980172	/nfs/dbraw/zinc/98/01/72/818980172.db2.gz	NUYLYXYLBMTQQP-UHFFFAOYSA-N	1	1	399.947	4.282	20	30		GIEDMO
N#Cc1ccsc1N1CC[C@H]([NH2+][C@@H](c2ccccc2)c2ccc(F)cc2)C1=O	ZINC000177142324	823381320	/nfs/dbraw/zinc/38/13/20/823381320.db2.gz	MYRJGRYATGSNGR-PMACEKPBSA-N	1	1	391.471	4.243	20	30		GIEDMO
N#Cc1ccsc1N1CC[C@@H]([NH2+][C@H](c2ccccc2)c2ccc(F)cc2)C1=O	ZINC000177142306	823381469	/nfs/dbraw/zinc/38/14/69/823381469.db2.gz	MYRJGRYATGSNGR-WOJBJXKFSA-N	1	1	391.471	4.243	20	30		GIEDMO
C=C(C)COc1cc(CNc2cccc(C[NH+]3CCOCC3)c2)ccc1OC	ZINC000122737561	823403230	/nfs/dbraw/zinc/40/32/30/823403230.db2.gz	PAFWWJPCZHSLBQ-UHFFFAOYSA-N	1	1	382.504	4.094	20	30		GIEDMO
C=C(C)Cn1c(C2CC2)nnc1N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1	ZINC000460556224	823431364	/nfs/dbraw/zinc/43/13/64/823431364.db2.gz	SFSADHYZPWYXFA-NQIIRXRSSA-N	1	1	379.552	4.221	20	30		GIEDMO
C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+](C)Cc1cccc(C#N)c1	ZINC000026328202	820084670	/nfs/dbraw/zinc/08/46/70/820084670.db2.gz	ATLCKWGSXMGNLP-OAHLLOKOSA-N	1	1	392.528	4.219	20	30		GIEDMO
C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+](C)Cc1cccc(C#N)c1	ZINC000026328202	820084681	/nfs/dbraw/zinc/08/46/81/820084681.db2.gz	ATLCKWGSXMGNLP-OAHLLOKOSA-N	1	1	392.528	4.219	20	30		GIEDMO
COc1ccc2cc(C[N@H+](C)[C@H](C)C(=O)Nc3oc(C)c(C)c3C#N)ccc2c1	ZINC000027261136	820216975	/nfs/dbraw/zinc/21/69/75/820216975.db2.gz	HUJMQNGPJRDBEG-OAHLLOKOSA-N	1	1	391.471	4.389	20	30		GIEDMO
COc1ccc2cc(C[N@@H+](C)[C@H](C)C(=O)Nc3oc(C)c(C)c3C#N)ccc2c1	ZINC000027261136	820216977	/nfs/dbraw/zinc/21/69/77/820216977.db2.gz	HUJMQNGPJRDBEG-OAHLLOKOSA-N	1	1	391.471	4.389	20	30		GIEDMO
C=CCC[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1ccccc1	ZINC000189637223	823464256	/nfs/dbraw/zinc/46/42/56/823464256.db2.gz	KEXLKQSRROXSHX-OIBXWCBGSA-N	1	1	377.532	4.158	20	30		GIEDMO
C[C@@H](NC(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C)c1ccc(C#N)cc1	ZINC000410361283	823474369	/nfs/dbraw/zinc/47/43/69/823474369.db2.gz	VDXXTASWEAFAIW-RTBURBONSA-N	1	1	390.531	4.493	20	30		GIEDMO
C[C@H](C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1cccc(Cl)c1	ZINC000460686590	823479566	/nfs/dbraw/zinc/47/95/66/823479566.db2.gz	FVXKVPADPIKDRK-KRWDZBQOSA-N	1	1	381.907	4.050	20	30		GIEDMO
C[C@H](C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)c1cccc(Cl)c1	ZINC000460686590	823479569	/nfs/dbraw/zinc/47/95/69/823479569.db2.gz	FVXKVPADPIKDRK-KRWDZBQOSA-N	1	1	381.907	4.050	20	30		GIEDMO
CC[C@@](C)(O)C[N@@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)Cc1ccccc1	ZINC000189745937	823486640	/nfs/dbraw/zinc/48/66/40/823486640.db2.gz	SRVHUFZDCXPTKY-XMMPIXPASA-N	1	1	388.515	4.122	20	30		GIEDMO
COc1cc(CN(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1OCc1cccc(C#N)c1	ZINC000123273363	823488741	/nfs/dbraw/zinc/48/87/41/823488741.db2.gz	RWVLYBDCFFFJTL-PGRDOPGGSA-N	1	1	393.531	4.060	20	30		GIEDMO
COc1cc(C[N@H+](C)[C@@H]2CCN(C)[C@@H](C)C2)ccc1OCc1cccc(C#N)c1	ZINC000123273363	823488745	/nfs/dbraw/zinc/48/87/45/823488745.db2.gz	RWVLYBDCFFFJTL-PGRDOPGGSA-N	1	1	393.531	4.060	20	30		GIEDMO
COc1cc(C[N@@H+](C)[C@@H]2CCN(C)[C@@H](C)C2)ccc1OCc1cccc(C#N)c1	ZINC000123273363	823488749	/nfs/dbraw/zinc/48/87/49/823488749.db2.gz	RWVLYBDCFFFJTL-PGRDOPGGSA-N	1	1	393.531	4.060	20	30		GIEDMO
COc1cc(CN(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1OCc1cccc(C#N)c1	ZINC000123273820	823489111	/nfs/dbraw/zinc/48/91/11/823489111.db2.gz	RWVLYBDCFFFJTL-AVRDEDQJSA-N	1	1	393.531	4.060	20	30		GIEDMO
COc1cc(C[N@H+](C)[C@H]2CCN(C)[C@@H](C)C2)ccc1OCc1cccc(C#N)c1	ZINC000123273820	823489117	/nfs/dbraw/zinc/48/91/17/823489117.db2.gz	RWVLYBDCFFFJTL-AVRDEDQJSA-N	1	1	393.531	4.060	20	30		GIEDMO
COc1cc(C[N@@H+](C)[C@H]2CCN(C)[C@@H](C)C2)ccc1OCc1cccc(C#N)c1	ZINC000123273820	823489119	/nfs/dbraw/zinc/48/91/19/823489119.db2.gz	RWVLYBDCFFFJTL-AVRDEDQJSA-N	1	1	393.531	4.060	20	30		GIEDMO
Cc1nc([C@H]2CCC[N@@H+]2CCC(=O)Nc2sc3c(c2C#N)CCC3)cs1	ZINC000189793766	823495648	/nfs/dbraw/zinc/49/56/48/823495648.db2.gz	XNMJQRKZFUNXIU-MRXNPFEDSA-N	1	1	386.546	4.039	20	30		GIEDMO
Cc1nc([C@H]2CCC[N@H+]2CCC(=O)Nc2sc3c(c2C#N)CCC3)cs1	ZINC000189793766	823495649	/nfs/dbraw/zinc/49/56/49/823495649.db2.gz	XNMJQRKZFUNXIU-MRXNPFEDSA-N	1	1	386.546	4.039	20	30		GIEDMO
C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(C)(C)Cc1ccc(C#N)cc1	ZINC000410545208	823503333	/nfs/dbraw/zinc/50/33/33/823503333.db2.gz	JUNUMUUHYOYJPR-WMZHIEFXSA-N	1	1	389.543	4.154	20	30		GIEDMO
C[N@@H+](Cc1ccccc1-c1ccccc1)Cc1nc2ccccc2c(=O)n1CC#N	ZINC000060356520	823519228	/nfs/dbraw/zinc/51/92/28/823519228.db2.gz	UEBZSGRKEDUYEW-UHFFFAOYSA-N	1	1	394.478	4.219	20	30		GIEDMO
C[N@H+](Cc1ccccc1-c1ccccc1)Cc1nc2ccccc2c(=O)n1CC#N	ZINC000060356520	823519230	/nfs/dbraw/zinc/51/92/30/823519230.db2.gz	UEBZSGRKEDUYEW-UHFFFAOYSA-N	1	1	394.478	4.219	20	30		GIEDMO
CC[N@@H+](CC(=O)N(Cc1ccc(OC)cc1)C1CC1)[C@H](C)c1ccc(C#N)cc1	ZINC000060477448	823532612	/nfs/dbraw/zinc/53/26/12/823532612.db2.gz	DWZVRYNYRNRJLW-GOSISDBHSA-N	1	1	391.515	4.141	20	30		GIEDMO
CC[N@@H+](CC(=O)N1CCc2[nH]c3ccccc3c2C1)[C@H](C)c1ccc(C#N)cc1	ZINC000060477278	823532631	/nfs/dbraw/zinc/53/26/31/823532631.db2.gz	NNNXSMGKVGBNLN-QGZVFWFLSA-N	1	1	386.499	4.007	20	30		GIEDMO
COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+](C)Cc1ccc(Cl)cc1	ZINC000042328646	821300669	/nfs/dbraw/zinc/30/06/69/821300669.db2.gz	HRRVMBAUUHBRHD-MRXNPFEDSA-N	1	1	385.895	4.116	20	30		GIEDMO
COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+](C)Cc1ccc(Cl)cc1	ZINC000042328646	821300677	/nfs/dbraw/zinc/30/06/77/821300677.db2.gz	HRRVMBAUUHBRHD-MRXNPFEDSA-N	1	1	385.895	4.116	20	30		GIEDMO
C[C@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(OCc2ccccc2)CC1	ZINC000042563574	821310379	/nfs/dbraw/zinc/31/03/79/821310379.db2.gz	HNLWJJCMLHCRQI-HXUWFJFHSA-N	1	1	391.515	4.003	20	30		GIEDMO
CC(C)[N@@H+]1CC[C@H](NC(=O)C2(C#N)CCCC2)[C@@H]1c1ccc(Cl)c(F)c1	ZINC000180754273	821435517	/nfs/dbraw/zinc/43/55/17/821435517.db2.gz	QDRLEUAKNNPSOU-ROUUACIJSA-N	1	1	377.891	4.203	20	30		GIEDMO
CC(C)[N@H+]1CC[C@H](NC(=O)C2(C#N)CCCC2)[C@@H]1c1ccc(Cl)c(F)c1	ZINC000180754273	821435520	/nfs/dbraw/zinc/43/55/20/821435520.db2.gz	QDRLEUAKNNPSOU-ROUUACIJSA-N	1	1	377.891	4.203	20	30		GIEDMO
C=CCc1cc(C[N@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)cc(OC)c1O	ZINC000180796892	821463554	/nfs/dbraw/zinc/46/35/54/821463554.db2.gz	MRHAUEYXTKTWKS-INIZCTEOSA-N	1	1	395.425	4.182	20	30		GIEDMO
C[C@H]([NH2+]Cc1ccc(C#N)cc1Br)c1cccc(N2CCCC2=O)c1	ZINC000181228328	821707333	/nfs/dbraw/zinc/70/73/33/821707333.db2.gz	LGPFUYKBEWJCEB-AWEZNQCLSA-N	1	1	398.304	4.298	20	30		GIEDMO
CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccccc2Oc2ccccc2C#N)C1	ZINC000182060630	822078291	/nfs/dbraw/zinc/07/82/91/822078291.db2.gz	QRWVVCZAJXZBON-GOSISDBHSA-N	1	1	377.488	4.154	20	30		GIEDMO
CC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C1	ZINC000178032255	822290866	/nfs/dbraw/zinc/29/08/66/822290866.db2.gz	ULFNULHTVRKTHJ-GOSISDBHSA-N	1	1	378.476	4.156	20	30		GIEDMO
CCOc1cccc2cc([C@@H](C)[NH2+]CC(=O)Nc3oc(C)c(C)c3C#N)oc21	ZINC000182655316	822340391	/nfs/dbraw/zinc/34/03/91/822340391.db2.gz	CINYAIFFTOAONC-CYBMUJFWSA-N	1	1	381.432	4.202	20	30		GIEDMO
Cc1ccc(C#N)cc1NC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1	ZINC000178242139	822357855	/nfs/dbraw/zinc/35/78/55/822357855.db2.gz	ICPWNHYJNXXUIJ-GMAHTHKFSA-N	1	1	388.515	4.385	20	30		GIEDMO
C[NH+](C)[C@H](CNC(=O)N[C@@H](CCC#N)c1ccccc1)c1ccccc1Cl	ZINC000178710138	822404652	/nfs/dbraw/zinc/40/46/52/822404652.db2.gz	NIIRLSYKXMHFPL-VQTJNVASSA-N	1	1	384.911	4.287	20	30		GIEDMO
C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N(C)Cc2ccc(C#N)cc2)C1	ZINC000045789356	822413957	/nfs/dbraw/zinc/41/39/57/822413957.db2.gz	AUNSFPDKSMFTNP-LJQANCHMSA-N	1	1	390.531	4.132	20	30		GIEDMO
C[C@H](c1ccc(Cl)cc1Cl)[N@@H+](C)C[C@H](O)COc1ccc(C#N)cc1	ZINC000046583624	822488453	/nfs/dbraw/zinc/48/84/53/822488453.db2.gz	VTXUAXVTQGPCQY-CJNGLKHVSA-N	1	1	379.287	4.298	20	30		GIEDMO
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1c[nH+]ccc1N(C)C	ZINC000183523899	822489609	/nfs/dbraw/zinc/48/96/09/822489609.db2.gz	JCUKXYFHBRPXDA-UHFFFAOYSA-N	1	1	386.455	4.159	20	30		GIEDMO
C=C[C@H](CC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1)c1ccccc1	ZINC000179553037	822502185	/nfs/dbraw/zinc/50/21/85/822502185.db2.gz	QVKHIAKDXYIFFK-QDSKXPNFSA-N	1	1	397.607	4.142	20	30		GIEDMO
C=CCOc1c(Br)cc(C[N@H+](C)Cc2ccncc2)cc1OCC	ZINC000183740170	822520134	/nfs/dbraw/zinc/52/01/34/822520134.db2.gz	TYXDWGCQDLBWMJ-UHFFFAOYSA-N	1	1	391.309	4.440	20	30		GIEDMO
C=CCOc1c(Br)cc(C[N@@H+](C)Cc2ccncc2)cc1OCC	ZINC000183740170	822520137	/nfs/dbraw/zinc/52/01/37/822520137.db2.gz	TYXDWGCQDLBWMJ-UHFFFAOYSA-N	1	1	391.309	4.440	20	30		GIEDMO
C[C@H]1CCCC[N@H+]1CCNC(=O)c1ccccc1Sc1ccccc1C#N	ZINC000046858160	822524933	/nfs/dbraw/zinc/52/49/33/822524933.db2.gz	WANGUZLJGFUXRB-KRWDZBQOSA-N	1	1	379.529	4.314	20	30		GIEDMO
C[C@H](C[N@@H+](C)CC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1nccs1	ZINC000183985403	822558205	/nfs/dbraw/zinc/55/82/05/822558205.db2.gz	UQJORTUCTAJBLE-CABCVRRESA-N	1	1	388.562	4.211	20	30		GIEDMO
C[C@H](C[N@H+](C)CC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1nccs1	ZINC000183985403	822558208	/nfs/dbraw/zinc/55/82/08/822558208.db2.gz	UQJORTUCTAJBLE-CABCVRRESA-N	1	1	388.562	4.211	20	30		GIEDMO
C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C(C)(C)Cc2ccc(C#N)cc2)C1	ZINC000454961449	822563626	/nfs/dbraw/zinc/56/36/26/822563626.db2.gz	ZOGHGQDZYJFUJC-PGRDOPGGSA-N	1	1	375.516	4.079	20	30		GIEDMO
C[C@H](C#N)Oc1ccccc1NC(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1	ZINC000184020242	822565308	/nfs/dbraw/zinc/56/53/08/822565308.db2.gz	OYCFDGKCNOREQP-SJORKVTESA-N	1	1	394.475	4.015	20	30		GIEDMO
CC[C@H](CC#N)[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1	ZINC000184091081	822576522	/nfs/dbraw/zinc/57/65/22/822576522.db2.gz	AZUSVQNHEQEDIA-GOSISDBHSA-N	1	1	375.432	4.229	20	30		GIEDMO
CCC[N@@H+](C)[C@H](CNC(=O)N[C@H]1CC[C@@H](CC#N)C1)c1ccc(Cl)cc1	ZINC000455047170	822579683	/nfs/dbraw/zinc/57/96/83/822579683.db2.gz	PIZFNMIWDUWLFF-ZYSHUDEJSA-N	1	1	376.932	4.104	20	30		GIEDMO
Cn1cc(C[N@@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)c(-c2ccc(C#N)cc2)n1	ZINC000179935189	822580405	/nfs/dbraw/zinc/58/04/05/822580405.db2.gz	LREWLQMPIGZUDN-OAQYLSRUSA-N	1	1	392.890	4.186	20	30		GIEDMO
Cn1cc(C[N@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)c(-c2ccc(C#N)cc2)n1	ZINC000179935189	822580406	/nfs/dbraw/zinc/58/04/06/822580406.db2.gz	LREWLQMPIGZUDN-OAQYLSRUSA-N	1	1	392.890	4.186	20	30		GIEDMO
Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1ccccc1Sc1ccccc1C#N	ZINC000047937968	822621155	/nfs/dbraw/zinc/62/11/55/822621155.db2.gz	NJRGNLZYJWUETH-INIZCTEOSA-N	1	1	390.512	4.281	20	30		GIEDMO
COc1cccc([C@@H](O)C[N@@H+](Cc2ccc(C#N)s2)Cc2ccccc2)c1	ZINC000180219842	822641554	/nfs/dbraw/zinc/64/15/54/822641554.db2.gz	FDMDAQITSSGKSJ-QFIPXVFZSA-N	1	1	378.497	4.364	20	30		GIEDMO
C[C@@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1ccccc1)c1nc(C(C)(C)C)cs1	ZINC000184494887	822645310	/nfs/dbraw/zinc/64/53/10/822645310.db2.gz	HXOKFUMOICGREV-CVEARBPZSA-N	1	1	384.549	4.427	20	30		GIEDMO
N#Cc1ccc2ncc(C[N@@H+]3CCCCC[C@@H]3C[C@@H](O)c3cccs3)n2c1	ZINC000180508814	822693509	/nfs/dbraw/zinc/69/35/09/822693509.db2.gz	PYPXNQOKDISVTA-IEBWSBKVSA-N	1	1	380.517	4.136	20	30		GIEDMO
N#Cc1ccc2ncc(C[N@@H+]3CCCCC[C@@H]3C[C@H](O)c3cccs3)n2c1	ZINC000180508833	822693531	/nfs/dbraw/zinc/69/35/31/822693531.db2.gz	PYPXNQOKDISVTA-MJGOQNOKSA-N	1	1	380.517	4.136	20	30		GIEDMO
CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(CC#N)cc1Cl	ZINC000455700711	822706373	/nfs/dbraw/zinc/70/63/73/822706373.db2.gz	IVIVGFIXZIRQHO-LJQANCHMSA-N	1	1	396.922	4.392	20	30		GIEDMO
COc1ccc(C[N@H+](CC(=O)N(CCC#N)c2cccc(C)c2C)C2CC2)cc1	ZINC000051254916	822752267	/nfs/dbraw/zinc/75/22/67/822752267.db2.gz	SXFRPCNNAQANMN-UHFFFAOYSA-N	1	1	391.515	4.223	20	30		GIEDMO
COc1ccc(C[N@@H+](CC(=O)N(CCC#N)c2cccc(C)c2C)C2CC2)cc1	ZINC000051254916	822752269	/nfs/dbraw/zinc/75/22/69/822752269.db2.gz	SXFRPCNNAQANMN-UHFFFAOYSA-N	1	1	391.515	4.223	20	30		GIEDMO
Cn1cc(C[N@H+]2CC[C@H](c3c(F)cccc3F)C2)c(-c2ccc(C#N)cc2)n1	ZINC000185335149	822767489	/nfs/dbraw/zinc/76/74/89/822767489.db2.gz	HCXYDYSPNNLYKX-KRWDZBQOSA-N	1	1	378.426	4.226	20	30		GIEDMO
C=C(C)[C@H](NC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccc(F)c(F)c1	ZINC000185447831	822785612	/nfs/dbraw/zinc/78/56/12/822785612.db2.gz	QFFADESGAXPGPO-CZAAIQMYSA-N	1	1	389.490	4.240	20	30		GIEDMO
CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccccc2SCc2ccc(C#N)cc2)C1	ZINC000174464320	822793788	/nfs/dbraw/zinc/79/37/88/822793788.db2.gz	BNEOBTSFELSTNC-FQEVSTJZSA-N	1	1	393.556	4.264	20	30		GIEDMO
C[C@H]1CN(C(=O)C[C@H](CC#N)c2ccccc2)CC[N@@H+](Cc2ccccc2)C1	ZINC000456329595	822798917	/nfs/dbraw/zinc/79/89/17/822798917.db2.gz	IQEQGQHBUMKOIP-OFNKIYASSA-N	1	1	375.516	4.054	20	30		GIEDMO
C[N@H+](CC(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1)Cc1ccc(C#N)cc1	ZINC000052580830	822804246	/nfs/dbraw/zinc/80/42/46/822804246.db2.gz	XKKNZBPFEACHAK-RUZDIDTESA-N	1	1	395.506	4.164	20	30		GIEDMO
C[N@@H+](CC(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1)Cc1ccc(C#N)cc1	ZINC000052580830	822804250	/nfs/dbraw/zinc/80/42/50/822804250.db2.gz	XKKNZBPFEACHAK-RUZDIDTESA-N	1	1	395.506	4.164	20	30		GIEDMO
CC(C)c1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCCN(c2ccccc2C#N)CC1	ZINC000052801202	822810799	/nfs/dbraw/zinc/81/07/99/822810799.db2.gz	OHNYNKZLURPHDP-LJQANCHMSA-N	1	1	390.531	4.221	20	30		GIEDMO
CC(C)c1ccccc1NC(=O)[C@@H](C)[N@H+]1CCCN(c2ccccc2C#N)CC1	ZINC000052801202	822810800	/nfs/dbraw/zinc/81/08/00/822810800.db2.gz	OHNYNKZLURPHDP-LJQANCHMSA-N	1	1	390.531	4.221	20	30		GIEDMO
CC[N@H+](CC(=O)N(CCC#N)c1cccc(C)c1C)[C@@H](C)c1cccc(O)c1	ZINC000174622328	822813705	/nfs/dbraw/zinc/81/37/05/822813705.db2.gz	WRTPVIZUCMXSSA-IBGZPJMESA-N	1	1	379.504	4.339	20	30		GIEDMO
CC[N@@H+](CC(=O)N(CCC#N)c1cccc(C)c1C)[C@@H](C)c1cccc(O)c1	ZINC000174622328	822813708	/nfs/dbraw/zinc/81/37/08/822813708.db2.gz	WRTPVIZUCMXSSA-IBGZPJMESA-N	1	1	379.504	4.339	20	30		GIEDMO
Cc1ccc([C@H]([NH2+]Cc2cccc(C#N)c2)c2cccc(S(C)(=O)=O)c2)cc1	ZINC000174635301	822815457	/nfs/dbraw/zinc/81/54/57/822815457.db2.gz	TWNIIXBZTSKPQZ-QHCPKHFHSA-N	1	1	390.508	4.149	20	30		GIEDMO
N#CCc1cccc(NC(=O)[C@@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)c1	ZINC000456739548	822828477	/nfs/dbraw/zinc/82/84/77/822828477.db2.gz	VOECCNSXMHHUQA-HXUWFJFHSA-N	1	1	387.405	4.146	20	30		GIEDMO
CCC[N@H+](Cc1csc(-c2ccc(C(N)=O)cc2)n1)Cc1ccc(C#N)cc1	ZINC000053609693	822842495	/nfs/dbraw/zinc/84/24/95/822842495.db2.gz	JDYYOMUBJQKTIZ-UHFFFAOYSA-N	1	1	390.512	4.193	20	30		GIEDMO
CCC[N@@H+](Cc1csc(-c2ccc(C(N)=O)cc2)n1)Cc1ccc(C#N)cc1	ZINC000053609693	822842498	/nfs/dbraw/zinc/84/24/98/822842498.db2.gz	JDYYOMUBJQKTIZ-UHFFFAOYSA-N	1	1	390.512	4.193	20	30		GIEDMO
N#Cc1ccccc1NC(=O)CC[N@H+]1CCC[C@@H]1c1nc2ccccc2s1	ZINC000054425367	822883995	/nfs/dbraw/zinc/88/39/95/822883995.db2.gz	KFEZFAZPJYPETH-GOSISDBHSA-N	1	1	376.485	4.334	20	30		GIEDMO
C=C(C)[C@@H]([NH2+][C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1)c1ccc(F)c(F)c1	ZINC000186447396	822896976	/nfs/dbraw/zinc/89/69/76/822896976.db2.gz	MYWLKUNFELEEPR-VBKZILBWSA-N	1	1	394.487	4.183	20	30		GIEDMO
C=C(C)[C@H]([NH2+][C@H](C)c1ccc(S(C)(=O)=O)c(F)c1)c1ccc(F)c(F)c1	ZINC000186446807	822897052	/nfs/dbraw/zinc/89/70/52/822897052.db2.gz	BWUHNXJLQKWNRD-BLVKFPJESA-N	1	1	383.435	4.475	20	30		GIEDMO
N#CC1(c2ccc(C(=O)NC[C@@H]3CCCC[N@@H+](Cc4ccccc4)C3)cc2)CC1	ZINC000569416024	822919537	/nfs/dbraw/zinc/91/95/37/822919537.db2.gz	HQZUMOQZGQFMOM-NRFANRHFSA-N	1	1	387.527	4.274	20	30		GIEDMO
N#Cc1csc(C[NH2+][C@@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)n1	ZINC000569746251	822962476	/nfs/dbraw/zinc/96/24/76/822962476.db2.gz	DZMTVCYVRVOKJG-QGZVFWFLSA-N	1	1	381.423	4.291	20	30		GIEDMO
C=CCOc1c(Br)cc(C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)cc1OCC	ZINC000569811653	822971689	/nfs/dbraw/zinc/97/16/89/822971689.db2.gz	OXZHDPYSWUXLGH-WBVHZDCISA-N	1	1	396.325	4.023	20	30		GIEDMO
C=CCOc1c(Br)cc(C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)cc1OCC	ZINC000569811653	822971692	/nfs/dbraw/zinc/97/16/92/822971692.db2.gz	OXZHDPYSWUXLGH-WBVHZDCISA-N	1	1	396.325	4.023	20	30		GIEDMO
COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH+]1CCC(c2ccsc2)CC1	ZINC000186956328	822986651	/nfs/dbraw/zinc/98/66/51/822986651.db2.gz	ILHHRYZRHAOCPS-QGZVFWFLSA-N	1	1	397.544	4.271	20	30		GIEDMO
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1	ZINC000175618060	823007491	/nfs/dbraw/zinc/00/74/91/823007491.db2.gz	WPWLZPVFEGVKBM-LJQANCHMSA-N	1	1	392.503	4.465	20	30		GIEDMO
C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1ccc(OC(F)F)c(Cl)c1	ZINC000570128354	823008461	/nfs/dbraw/zinc/00/84/61/823008461.db2.gz	GAXKRZDEJXRKIL-UHFFFAOYSA-N	1	1	380.822	4.462	20	30		GIEDMO
C[C@H]1C[C@H](N(C)C(=O)c2ccc(Sc3ccccc3C#N)cc2)CC[N@H+]1C	ZINC000175764139	823034261	/nfs/dbraw/zinc/03/42/61/823034261.db2.gz	SEGFBUHJHAMCOV-QFBILLFUSA-N	1	1	379.529	4.264	20	30		GIEDMO
C[N@H+](Cc1ccccc1)CC1CCN(C(=O)Nc2ccc(F)cc2C#N)CC1	ZINC000177913414	823545574	/nfs/dbraw/zinc/54/55/74/823545574.db2.gz	BXFYXVOWYYNAJJ-UHFFFAOYSA-N	1	1	380.467	4.073	20	30		GIEDMO
Cc1cccn2cc(C[NH2+]Cc3cccc(OCc4cccc(C#N)c4)c3)nc12	ZINC000124013447	823559939	/nfs/dbraw/zinc/55/99/39/823559939.db2.gz	FZRCEJQNGPEERP-UHFFFAOYSA-N	1	1	382.467	4.383	20	30		GIEDMO
C=CCc1ccccc1OC[C@@H](O)C[N@H+](C)Cc1cc(Br)cs1	ZINC000061042448	823574931	/nfs/dbraw/zinc/57/49/31/823574931.db2.gz	ZCPFHALLHYBBCH-INIZCTEOSA-N	1	1	396.350	4.111	20	30		GIEDMO
C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+](Cc3ccccn3)C3CC3)sc2C1	ZINC000411456831	823576848	/nfs/dbraw/zinc/57/68/48/823576848.db2.gz	ZVVBGSMULKSNTK-HNNXBMFYSA-N	1	1	394.544	4.133	20	30		GIEDMO
N#CCCn1cc(C(=O)C[NH+]2CCC(c3ccc(O)cc3)CC2)c2ccccc21	ZINC000124335630	823588147	/nfs/dbraw/zinc/58/81/47/823588147.db2.gz	XJVYTMVDQYPINZ-UHFFFAOYSA-N	1	1	387.483	4.323	20	30		GIEDMO
C=CC[N@@H+](C)CCN(CC)Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1	ZINC000411643551	823593246	/nfs/dbraw/zinc/59/32/46/823593246.db2.gz	PBQZZXDXDKSLAD-UHFFFAOYSA-N	1	1	382.533	4.004	20	30		GIEDMO
C=CC[N@H+](C)CCN(CC)Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1	ZINC000411643551	823593253	/nfs/dbraw/zinc/59/32/53/823593253.db2.gz	PBQZZXDXDKSLAD-UHFFFAOYSA-N	1	1	382.533	4.004	20	30		GIEDMO
C[N@H+](Cc1ccccc1)CC1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CC1	ZINC000411940116	823615405	/nfs/dbraw/zinc/61/54/05/823615405.db2.gz	HNJQURYIOOYMEM-BJKOFHAPSA-N	1	1	387.527	4.032	20	30		GIEDMO
C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1	ZINC000411999626	823619918	/nfs/dbraw/zinc/61/99/18/823619918.db2.gz	NBVCPLSQXQZHKQ-UPVQGACJSA-N	1	1	393.527	4.009	20	30		GIEDMO
C[C@H]1C[C@H](CCNC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)C[N@H+]1Cc1ccccc1	ZINC000412200361	823635037	/nfs/dbraw/zinc/63/50/37/823635037.db2.gz	AYAJKHKPHUBJFW-INDWIESVSA-N	1	1	387.527	4.079	20	30		GIEDMO
C=CC[N@H+](Cc1cccc(C(=O)N2CCCCC2)c1)Cc1cccc([N+](=O)[O-])c1	ZINC000063287262	823659993	/nfs/dbraw/zinc/65/99/93/823659993.db2.gz	UVOCZEJWMHKWJD-UHFFFAOYSA-N	1	1	393.487	4.409	20	30		GIEDMO
C=CC[N@@H+](Cc1cccc(C(=O)N2CCCCC2)c1)Cc1cccc([N+](=O)[O-])c1	ZINC000063287262	823659996	/nfs/dbraw/zinc/65/99/96/823659996.db2.gz	UVOCZEJWMHKWJD-UHFFFAOYSA-N	1	1	393.487	4.409	20	30		GIEDMO
CCCNc1ccc(C#N)cc1NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1	ZINC000461646679	823674813	/nfs/dbraw/zinc/67/48/13/823674813.db2.gz	BBXZQQDNXOZLTR-HXUWFJFHSA-N	1	1	376.504	4.231	20	30		GIEDMO
CCC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)Cc1ccc(C#N)cc1	ZINC000063504299	823676617	/nfs/dbraw/zinc/67/66/17/823676617.db2.gz	IKECTPIXMOYVOU-UHFFFAOYSA-N	1	1	380.448	4.016	20	30		GIEDMO
N#Cc1ccc(C[N@H+]2CCCN(Cc3ccccc3Oc3cccnc3)CC2)cc1	ZINC000063517807	823677450	/nfs/dbraw/zinc/67/74/50/823677450.db2.gz	AOUPVDIRRMXYMR-UHFFFAOYSA-N	1	1	398.510	4.453	20	30		GIEDMO
N#Cc1ccc(CN2CCC[N@H+](Cc3ccccc3Oc3cccnc3)CC2)cc1	ZINC000063517807	823677452	/nfs/dbraw/zinc/67/74/52/823677452.db2.gz	AOUPVDIRRMXYMR-UHFFFAOYSA-N	1	1	398.510	4.453	20	30		GIEDMO
N#Cc1ccc(CN2CCC[N@@H+](Cc3ccccc3Oc3cccnc3)CC2)cc1	ZINC000063517807	823677453	/nfs/dbraw/zinc/67/74/53/823677453.db2.gz	AOUPVDIRRMXYMR-UHFFFAOYSA-N	1	1	398.510	4.453	20	30		GIEDMO
CC(C)OCc1cccc(CNC(=O)C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)c1	ZINC000063750513	823693443	/nfs/dbraw/zinc/69/34/43/823693443.db2.gz	DPNWDLAYPPYTDR-UHFFFAOYSA-N	1	1	393.531	4.010	20	30		GIEDMO
N#Cc1ccccc1NC(=O)CC[N@H+](CCc1ccc(Cl)cc1)CC1CC1	ZINC000574361400	823708734	/nfs/dbraw/zinc/70/87/34/823708734.db2.gz	OZXWTUHLXOHZHD-UHFFFAOYSA-N	1	1	381.907	4.495	20	30		GIEDMO
C[C@@H]1C[C@H](CCNC(=O)N2CCC(CCC#N)CC2)C[N@H+]1Cc1ccccc1	ZINC000574395845	823718948	/nfs/dbraw/zinc/71/89/48/823718948.db2.gz	ONJCOGFHLRJEHK-KNQAVFIVSA-N	1	1	382.552	4.012	20	30		GIEDMO
C=CCN(CC(F)(F)F)C(=O)C[NH+](Cc1ccccc1)Cc1ccccc1	ZINC000461970449	823777154	/nfs/dbraw/zinc/77/71/54/823777154.db2.gz	MPBBBSFZNMZYJI-UHFFFAOYSA-N	1	1	376.422	4.266	20	30		GIEDMO
C[C@@H](NCc1cc(C#N)ccc1Br)[C@@H]1CCC[N@H+](C2CCC2)C1	ZINC000191825082	823785518	/nfs/dbraw/zinc/78/55/18/823785518.db2.gz	ZWSGOAGSFINVCT-GDBMZVCRSA-N	1	1	376.342	4.063	20	30		GIEDMO
COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1Cl	ZINC000126195117	823809894	/nfs/dbraw/zinc/80/98/94/823809894.db2.gz	QOJOQDNTIDPUEG-HZPDHXFCSA-N	1	1	385.895	4.335	20	30		GIEDMO
CC(C)CC[N@H+]1Cc2cccc(NC(=O)[C@@H](C#N)Cc3ccc(C#N)cc3)c2C1	ZINC000574810107	823833397	/nfs/dbraw/zinc/83/33/97/823833397.db2.gz	XSPAXPAOHLDAOX-OAQYLSRUSA-N	1	1	386.499	4.241	20	30		GIEDMO
COc1ccc(CNC2CC[NH+](Cc3ccccc3)CC2)cc1OCCCC#N	ZINC000064613288	823852497	/nfs/dbraw/zinc/85/24/97/823852497.db2.gz	XBBPFNZYOPWEIJ-UHFFFAOYSA-N	1	1	393.531	4.132	20	30		GIEDMO
C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1ccccc1-c1ccccc1C#N	ZINC000462175788	823854673	/nfs/dbraw/zinc/85/46/73/823854673.db2.gz	AIYOHTHWIFTSCM-DFBJGRDBSA-N	1	1	395.506	4.476	20	30		GIEDMO
C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccccc1-c1ccccc1C#N	ZINC000462175790	823854727	/nfs/dbraw/zinc/85/47/27/823854727.db2.gz	AIYOHTHWIFTSCM-UQBPGWFLSA-N	1	1	395.506	4.476	20	30		GIEDMO
C[N@@H+](Cc1ccco1)Cc1ccccc1CNc1ccc([N+](=O)[O-])c(C#N)c1	ZINC000166872979	823883432	/nfs/dbraw/zinc/88/34/32/823883432.db2.gz	MCLODTWIGJYXGN-UHFFFAOYSA-N	1	1	376.416	4.304	20	30		GIEDMO
N#Cc1cnn2cc(C[N@H+]3CCCC[C@@H]3c3ccccc3C(F)(F)F)cnc12	ZINC000575123963	823917306	/nfs/dbraw/zinc/91/73/06/823917306.db2.gz	GYPDJXLNKYWXED-GOSISDBHSA-N	1	1	385.393	4.347	20	30		GIEDMO
N#Cc1cnn2cc(C[N@@H+]3CCCC[C@@H]3c3ccccc3C(F)(F)F)cnc12	ZINC000575123963	823917310	/nfs/dbraw/zinc/91/73/10/823917310.db2.gz	GYPDJXLNKYWXED-GOSISDBHSA-N	1	1	385.393	4.347	20	30		GIEDMO
C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCCc2ccccc2C1	ZINC000170987792	824028778	/nfs/dbraw/zinc/02/87/78/824028778.db2.gz	BKMRPHMDCKBCLB-QGZVFWFLSA-N	1	1	379.529	4.325	20	30		GIEDMO
C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCCc2ccccc2C1	ZINC000170987792	824028784	/nfs/dbraw/zinc/02/87/84/824028784.db2.gz	BKMRPHMDCKBCLB-QGZVFWFLSA-N	1	1	379.529	4.325	20	30		GIEDMO
N#Cc1cnn2cc(C[N@@H+](Cc3ccccc3C(F)(F)F)CC3CC3)cnc12	ZINC000575923353	824030612	/nfs/dbraw/zinc/03/06/12/824030612.db2.gz	GJQCZAGACZUWMG-UHFFFAOYSA-N	1	1	385.393	4.032	20	30		GIEDMO
C=CCN(Cc1ccccc1)C(=O)NCc1ccc(-n2cc[nH+]c2C)c(F)c1	ZINC000067646642	222152586	/nfs/dbraw/zinc/15/25/86/222152586.db2.gz	ZNZOMMSLJJNTAL-UHFFFAOYSA-N	1	1	378.451	4.218	20	30		GIEDMO
C[C@@H]1C[N@H+](C)[C@H](C)CN1C(F)(F)c1cnc(Cl)c(-c2ccc(C#N)cc2)c1	ZINC001164638438	719257482	/nfs/dbraw/zinc/25/74/82/719257482.db2.gz	YZKAUBDCCRLLTF-ZIAGYGMSSA-N	1	1	390.865	4.347	20	30		GIEDMO
C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(F)(F)c1cnc(Cl)c(-c2ccc(C#N)cc2)c1	ZINC001164638438	719257485	/nfs/dbraw/zinc/25/74/85/719257485.db2.gz	YZKAUBDCCRLLTF-ZIAGYGMSSA-N	1	1	390.865	4.347	20	30		GIEDMO
CC(C)c1ccc(C#N)c(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)n1	ZINC001165021526	721802743	/nfs/dbraw/zinc/80/27/43/721802743.db2.gz	HKXRZSWNFPCYHF-WPYKKVEZSA-N	1	1	389.547	4.209	20	30		GIEDMO
C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nccc4ccc(C#N)cc43)C[C@@H]21	ZINC001165029502	721808942	/nfs/dbraw/zinc/80/89/42/721808942.db2.gz	ZOCMSSDQLZVGEX-FGCOXFRFSA-N	1	1	397.526	4.238	20	30		GIEDMO
N#CC1(c2ccc(N3CCC[C@@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)nc2)CCC1	ZINC001164996333	722199744	/nfs/dbraw/zinc/19/97/44/722199744.db2.gz	UBXFHDVHAYJKCT-XMMPIXPASA-N	1	1	390.506	4.411	20	30		GIEDMO
C=CCn1c(-c2cc(C)oc2C)nnc1N1CCC[N@@H+](Cc2ccccc2)CC1	ZINC000570608608	823061717	/nfs/dbraw/zinc/06/17/17/823061717.db2.gz	FXDMWPQKLODQIU-UHFFFAOYSA-N	1	1	391.519	4.053	20	30		GIEDMO
CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(C(=O)NCc2ccco2)c1	ZINC000055903357	823064599	/nfs/dbraw/zinc/06/45/99/823064599.db2.gz	RBBBFOJIDSERMD-UHFFFAOYSA-N	1	1	387.483	4.493	20	30		GIEDMO
C[C@H](c1ccc(NC(=O)N[C@H](CCC#N)c2ccccc2)cc1)[NH+]1CCOCC1	ZINC000120809040	823068599	/nfs/dbraw/zinc/06/85/99/823068599.db2.gz	DODNBWHTBGWJIX-XMSQKQJNSA-N	1	1	392.503	4.246	20	30		GIEDMO
CN(CC(C)(C)C#N)C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1	ZINC000458647555	823069321	/nfs/dbraw/zinc/06/93/21/823069321.db2.gz	KJWSNRFSCKQMBP-UHFFFAOYSA-N	1	1	397.350	4.149	20	30		GIEDMO
C[N@@H+]1CCN(C(=O)N[C@H](CCCC#N)c2ccccc2)[C@H](c2ccccc2)C1	ZINC000458800605	823087558	/nfs/dbraw/zinc/08/75/58/823087558.db2.gz	LKQUZPQTBOZGOL-YADHBBJMSA-N	1	1	376.504	4.120	20	30		GIEDMO
C[N@H+]1CCN(C(=O)N[C@H](CCCC#N)c2ccccc2)[C@H](c2ccccc2)C1	ZINC000458800605	823087564	/nfs/dbraw/zinc/08/75/64/823087564.db2.gz	LKQUZPQTBOZGOL-YADHBBJMSA-N	1	1	376.504	4.120	20	30		GIEDMO
C[C@H](NCc1ccccc1C[N@H+]1CCCC[C@@H]1C)C(=O)Nc1ccccc1C#N	ZINC000056156221	823091648	/nfs/dbraw/zinc/09/16/48/823091648.db2.gz	QXRLCOMRYHQVBJ-OALUTQOASA-N	1	1	390.531	4.049	20	30		GIEDMO
C[N@H+]1CCC[C@@H](CNC(=O)c2cccc(SCC#N)c2)[C@@H]1c1cccs1	ZINC000176006626	823094227	/nfs/dbraw/zinc/09/42/27/823094227.db2.gz	CMGWDUUYOVFIPE-QFBILLFUSA-N	1	1	385.558	4.177	20	30		GIEDMO
C[C@@H]1C[C@H](NC(=O)c2cccc(SCC#N)c2)CC[N@H+]1Cc1ccccc1	ZINC000176099586	823119667	/nfs/dbraw/zinc/11/96/67/823119667.db2.gz	CVWXFPCTBSWZJW-YLJYHZDGSA-N	1	1	379.529	4.085	20	30		GIEDMO
C=C(C)[C@H]([NH2+]CC(=O)Nc1sc(C)c(C)c1C#N)c1ccc(F)c(F)c1	ZINC000187790005	823133533	/nfs/dbraw/zinc/13/35/33/823133533.db2.gz	FZPCKAKGUHFNQA-SFHVURJKSA-N	1	1	375.444	4.360	20	30		GIEDMO
N#Cc1csc(C[NH2+]Cc2ccccc2-c2ccc(Cn3ccnc3)cc2)n1	ZINC000571128116	823137146	/nfs/dbraw/zinc/13/71/46/823137146.db2.gz	JPBBVKWUGOSEEN-UHFFFAOYSA-N	1	1	385.496	4.216	20	30		GIEDMO
N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@H+]1CCCCC[C@@H]1c1ccco1	ZINC000121241088	823145520	/nfs/dbraw/zinc/14/55/20/823145520.db2.gz	RSEDJTSIKMTTDC-YLJYHZDGSA-N	1	1	386.455	4.434	20	30		GIEDMO
C=CCOc1ccc(C(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cc1OC	ZINC000176186162	823147878	/nfs/dbraw/zinc/14/78/78/823147878.db2.gz	RDIHBJLANQBCTG-MRXNPFEDSA-N	1	1	391.471	4.245	20	30		GIEDMO
C[C@@H]1CN(c2ccccc2C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)CCO1	ZINC000459340250	823165215	/nfs/dbraw/zinc/16/52/15/823165215.db2.gz	CSVMFSSRHBJHTE-ZFJSRUIDSA-N	1	1	375.516	4.183	20	30		GIEDMO
C#CCOc1ccccc1NC(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1	ZINC000188129090	823190948	/nfs/dbraw/zinc/19/09/48/823190948.db2.gz	RPHOEXJOOMLRHX-UHFFFAOYSA-N	1	1	391.515	4.075	20	30		GIEDMO
CCC[N@H+](Cc1c(C#N)cccc1[N+](=O)[O-])[C@@H](C)CC(=O)Nc1ccccc1	ZINC000459440129	823192340	/nfs/dbraw/zinc/19/23/40/823192340.db2.gz	WWLCJUYYDDQQCL-INIZCTEOSA-N	1	1	380.448	4.096	20	30		GIEDMO
CCC[N@@H+](Cc1c(C#N)cccc1[N+](=O)[O-])[C@@H](C)CC(=O)Nc1ccccc1	ZINC000459440129	823192346	/nfs/dbraw/zinc/19/23/46/823192346.db2.gz	WWLCJUYYDDQQCL-INIZCTEOSA-N	1	1	380.448	4.096	20	30		GIEDMO
COCC[N@H+](Cc1c(C)nn(C)c1C)Cc1ccc(-c2ccccc2C#N)cc1	ZINC000459571782	823223233	/nfs/dbraw/zinc/22/32/33/823223233.db2.gz	PUUIKGCHASVMBX-UHFFFAOYSA-N	1	1	388.515	4.224	20	30		GIEDMO
COCC[N@@H+](Cc1c(C)nn(C)c1C)Cc1ccc(-c2ccccc2C#N)cc1	ZINC000459571782	823223238	/nfs/dbraw/zinc/22/32/38/823223238.db2.gz	PUUIKGCHASVMBX-UHFFFAOYSA-N	1	1	388.515	4.224	20	30		GIEDMO
Cc1c(C)n(C2CCCCC2)c(NC(=O)C[NH2+][C@@H](C)c2cncc(F)c2)c1C#N	ZINC000459619897	823230825	/nfs/dbraw/zinc/23/08/25/823230825.db2.gz	JRGWDVCYRYVREM-HNNXBMFYSA-N	1	1	397.498	4.305	20	30		GIEDMO
N#CC1CCC(CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)CC1	ZINC000572202019	823299047	/nfs/dbraw/zinc/29/90/47/823299047.db2.gz	RHEVWFYTRLSBKY-ZYFYDLNSSA-N	1	1	394.563	4.012	20	30		GIEDMO
Cc1cc(C#N)ccc1Oc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1	ZINC000122216483	823322954	/nfs/dbraw/zinc/32/29/54/823322954.db2.gz	ILQXFBBYGYAEEJ-XLIONFOSSA-N	1	1	377.488	4.214	20	30		GIEDMO
Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+](C)C2CCCCCC2)c1C#N	ZINC000014705216	818259831	/nfs/dbraw/zinc/25/98/31/818259831.db2.gz	WQPBIDACYMIFOP-UHFFFAOYSA-N	1	1	382.508	4.211	20	30		GIEDMO
CCOc1ccc(-c2nc(C[N@H+](C)CCOCc3ccc(C#N)cc3)co2)cc1	ZINC000572351399	823325745	/nfs/dbraw/zinc/32/57/45/823325745.db2.gz	WKSDFVAPCYJGDE-UHFFFAOYSA-N	1	1	391.471	4.261	20	30		GIEDMO
CCOc1ccc(-c2nc(C[N@@H+](C)CCOCc3ccc(C#N)cc3)co2)cc1	ZINC000572351399	823325752	/nfs/dbraw/zinc/32/57/52/823325752.db2.gz	WKSDFVAPCYJGDE-UHFFFAOYSA-N	1	1	391.471	4.261	20	30		GIEDMO
Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+](Cc2ccc(F)cc2)C2CC2)c1	ZINC000016419054	818440398	/nfs/dbraw/zinc/44/03/98/818440398.db2.gz	SWRGFBGAUOLFJY-UHFFFAOYSA-N	1	1	379.479	4.354	20	30		GIEDMO
Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+](Cc2ccc(F)cc2)C2CC2)c1	ZINC000016419054	818440404	/nfs/dbraw/zinc/44/04/04/818440404.db2.gz	SWRGFBGAUOLFJY-UHFFFAOYSA-N	1	1	379.479	4.354	20	30		GIEDMO
C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H]2c2ccc(OC)cc2)c(OC)c1	ZINC000057942860	823349139	/nfs/dbraw/zinc/34/91/39/823349139.db2.gz	WCLLCHHIAPGKIO-UNMCSNQZSA-N	1	1	397.515	4.009	20	30		GIEDMO
Cc1sc(NC(=O)C[N@H+]2CCC[C@H]2c2cccc(N(C)C)c2)c(C#N)c1C	ZINC000177200960	823398049	/nfs/dbraw/zinc/39/80/49/823398049.db2.gz	IIPNCKODWWOAHJ-IBGZPJMESA-N	1	1	382.533	4.078	20	30		GIEDMO
Cc1sc(NC(=O)C[N@@H+]2CCC[C@H]2c2cccc(N(C)C)c2)c(C#N)c1C	ZINC000177200960	823398054	/nfs/dbraw/zinc/39/80/54/823398054.db2.gz	IIPNCKODWWOAHJ-IBGZPJMESA-N	1	1	382.533	4.078	20	30		GIEDMO
CC[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1C[C@@H](O)COc1ccc(CC#N)cc1	ZINC000058523955	823403942	/nfs/dbraw/zinc/40/39/42/823403942.db2.gz	KHSWFEIYAUPUFB-JRFVFWCSSA-N	1	1	378.516	4.151	20	30		GIEDMO
C=C(C)Cn1c(C2CC2)nnc1N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2	ZINC000460555713	823431129	/nfs/dbraw/zinc/43/11/29/823431129.db2.gz	QVMYJTXRMWOJNA-XMMPIXPASA-N	1	1	391.563	4.224	20	30		GIEDMO
N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H](c3nc4ccccc4o3)C2)cc1Cl	ZINC000024664380	819861845	/nfs/dbraw/zinc/86/18/45/819861845.db2.gz	QJBNEGLOGHBSAU-HNNXBMFYSA-N	1	1	394.862	4.171	20	30		GIEDMO
N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@H](c3nc4ccccc4o3)C2)cc1Cl	ZINC000024664380	819861852	/nfs/dbraw/zinc/86/18/52/819861852.db2.gz	QJBNEGLOGHBSAU-HNNXBMFYSA-N	1	1	394.862	4.171	20	30		GIEDMO
CN(C(=O)C[NH2+][C@H](c1cccs1)c1ccc(F)cc1)C1(C#N)CCCCC1	ZINC000025699132	820015528	/nfs/dbraw/zinc/01/55/28/820015528.db2.gz	UTTQLCMOJBEJOG-FQEVSTJZSA-N	1	1	385.508	4.251	20	30		GIEDMO
C[C@@H](NC(=O)C[N@H+](C)Cc1cccc(C#N)c1)c1ccc(Cl)cc1Cl	ZINC000026325316	820083524	/nfs/dbraw/zinc/08/35/24/820083524.db2.gz	RLPPNCIXGNXVPA-CYBMUJFWSA-N	1	1	376.287	4.174	20	30		GIEDMO
C[C@@H](NC(=O)C[N@@H+](C)Cc1cccc(C#N)c1)c1ccc(Cl)cc1Cl	ZINC000026325316	820083532	/nfs/dbraw/zinc/08/35/32/820083532.db2.gz	RLPPNCIXGNXVPA-CYBMUJFWSA-N	1	1	376.287	4.174	20	30		GIEDMO
Cc1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2cccc(C#N)c2)c(Br)c1	ZINC000026328237	820085090	/nfs/dbraw/zinc/08/50/90/820085090.db2.gz	DEFCLHKEUWKZRP-CQSZACIVSA-N	1	1	386.293	4.088	20	30		GIEDMO
Cc1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2cccc(C#N)c2)c(Br)c1	ZINC000026328237	820085099	/nfs/dbraw/zinc/08/50/99/820085099.db2.gz	DEFCLHKEUWKZRP-CQSZACIVSA-N	1	1	386.293	4.088	20	30		GIEDMO
C[C@@H](NC(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)c1ccc(C#N)cc1	ZINC000410345725	823468669	/nfs/dbraw/zinc/46/86/69/823468669.db2.gz	DJHIDRPSSRJZOX-RBUKOAKNSA-N	1	1	390.531	4.493	20	30		GIEDMO
FC(F)C(F)(F)COCC[N@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1	ZINC000189727073	823483136	/nfs/dbraw/zinc/48/31/36/823483136.db2.gz	KPBLWKDHCYIYDF-VIFPVBQESA-N	1	1	394.356	4.258	20	30		GIEDMO
C[C@H]1C[C@@H](N(C)C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)CC[N@H+]1C	ZINC000123217758	823480281	/nfs/dbraw/zinc/48/02/81/823480281.db2.gz	ASTNYQQNVDWTBS-RDJZCZTQSA-N	1	1	381.451	4.044	20	30		GIEDMO
N#Cc1cccnc1N1CC[NH+](Cc2ccc(-c3ccccc3F)s2)CC1	ZINC000029527679	820469012	/nfs/dbraw/zinc/46/90/12/820469012.db2.gz	LTWSCEVDGADDTQ-UHFFFAOYSA-N	1	1	378.476	4.143	20	30		GIEDMO
COc1cc(CN(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)ccc1OCc1cccc(C#N)c1	ZINC000123273599	823488624	/nfs/dbraw/zinc/48/86/24/823488624.db2.gz	RWVLYBDCFFFJTL-GCJKJVERSA-N	1	1	393.531	4.060	20	30		GIEDMO
COc1cc(C[N@H+](C)[C@H]2CCN(C)[C@H](C)C2)ccc1OCc1cccc(C#N)c1	ZINC000123273599	823488627	/nfs/dbraw/zinc/48/86/27/823488627.db2.gz	RWVLYBDCFFFJTL-GCJKJVERSA-N	1	1	393.531	4.060	20	30		GIEDMO
COc1cc(C[N@@H+](C)[C@H]2CCN(C)[C@H](C)C2)ccc1OCc1cccc(C#N)c1	ZINC000123273599	823488632	/nfs/dbraw/zinc/48/86/32/823488632.db2.gz	RWVLYBDCFFFJTL-GCJKJVERSA-N	1	1	393.531	4.060	20	30		GIEDMO
C[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccc(Br)o1	ZINC000030217409	820588283	/nfs/dbraw/zinc/58/82/83/820588283.db2.gz	DXDKTYBJCBLGGS-UHFFFAOYSA-N	1	1	396.672	4.028	20	30		GIEDMO
N#Cc1ccc2ncc(C[NH2+]Cc3ccc(-c4nc5ccccc5s4)o3)n2c1	ZINC000123291898	823491360	/nfs/dbraw/zinc/49/13/60/823491360.db2.gz	IYEJNBIIRGSCGN-UHFFFAOYSA-N	1	1	385.452	4.365	20	30		GIEDMO
C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)C(C)(C)Cc1ccc(C#N)cc1	ZINC000410507723	823500531	/nfs/dbraw/zinc/50/05/31/823500531.db2.gz	IODWXMOGGLKMHJ-HXUWFJFHSA-N	1	1	389.543	4.250	20	30		GIEDMO
C=C(C)Cn1c(COc2ccc(C)cc2)nnc1N(C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1	ZINC000460786563	823512153	/nfs/dbraw/zinc/51/21/53/823512153.db2.gz	KIMFOYXSBJZIJN-VQTJNVASSA-N	1	1	397.567	4.051	20	30		GIEDMO
C=C(C)Cn1c(-c2sccc2C)nnc1N1CCC[N@H+](C2CCCC2)CC1	ZINC000460799499	823515670	/nfs/dbraw/zinc/51/56/70/823515670.db2.gz	OEEJVVMYDVWHDL-UHFFFAOYSA-N	1	1	385.581	4.346	20	30		GIEDMO
COc1ccc(C#N)cc1C[NH2+][C@H](C)c1ccc(Br)cc1OC	ZINC000190431285	823572964	/nfs/dbraw/zinc/57/29/64/823572964.db2.gz	RCSPYFNCALCNHW-GFCCVEGCSA-N	1	1	375.266	4.189	20	30		GIEDMO
C[C@H]1C[NH+](Cc2ccc(C(=O)Nc3ccc(Cl)cc3CC#N)cc2)C[C@H](C)O1	ZINC000410969157	823525938	/nfs/dbraw/zinc/52/59/38/823525938.db2.gz	PDMJVHPZUXRVBG-HOTGVXAUSA-N	1	1	397.906	4.268	20	30		GIEDMO
CC[N@@H+](CC(=O)Nc1ccc(N2CCCC2)cc1C)[C@H](C)c1ccc(C#N)cc1	ZINC000042740995	821329367	/nfs/dbraw/zinc/32/93/67/821329367.db2.gz	QCUMYXPEIXHEIC-LJQANCHMSA-N	1	1	390.531	4.489	20	30		GIEDMO
Cc1c(Cl)cccc1NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000043174539	821373979	/nfs/dbraw/zinc/37/39/79/821373979.db2.gz	JPRSMZLUOKAXLL-UHFFFAOYSA-N	1	1	382.895	4.260	20	30		GIEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Nc3ccc(F)c(Cl)c3)CC2)cc1	ZINC000043268817	821383603	/nfs/dbraw/zinc/38/36/03/821383603.db2.gz	GDWVNIFRORQRMK-UHFFFAOYSA-N	1	1	386.858	4.091	20	30		GIEDMO
Cc1nc(-c2cc3c(s2)CC[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)C3)cs1	ZINC000180880419	821509951	/nfs/dbraw/zinc/50/99/51/821509951.db2.gz	CWBBNLXDMRFCGZ-GOSISDBHSA-N	1	1	381.526	4.143	20	30		GIEDMO
COc1ccc(OC)c([C@@H](C)[NH2+]Cc2ccc(C#N)cc2Br)c1	ZINC000181224384	821704846	/nfs/dbraw/zinc/70/48/46/821704846.db2.gz	XUQMVSVLIWFOAB-GFCCVEGCSA-N	1	1	375.266	4.189	20	30		GIEDMO
C[C@H]([NH2+]Cc1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccc(OCC#N)cc1	ZINC000181441420	821827809	/nfs/dbraw/zinc/82/78/09/821827809.db2.gz	GPYQUUQOZDIIGD-ZCNNSNEGSA-N	1	1	393.531	4.049	20	30		GIEDMO
CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc(C2(C#N)CC2)cc1	ZINC000181496625	821853926	/nfs/dbraw/zinc/85/39/26/821853926.db2.gz	XJYYTMAZNNEUBE-OAQYLSRUSA-N	1	1	387.527	4.226	20	30		GIEDMO
C=CCCO[C@H](C)C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1	ZINC000181498305	821855028	/nfs/dbraw/zinc/85/50/28/821855028.db2.gz	MEHGTZXCNYVFDK-CQSZACIVSA-N	1	1	385.335	4.055	20	30		GIEDMO
N#Cc1ccc(C[NH+]2CCC(N[C@@H](c3ccccc3)c3ccncc3)CC2)cc1	ZINC000181586782	821891298	/nfs/dbraw/zinc/89/12/98/821891298.db2.gz	PBIACMIBDSMPAO-VWLOTQADSA-N	1	1	382.511	4.297	20	30		GIEDMO
CC[C@H]([NH2+]CC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1c(C)noc1C	ZINC000182412728	822234101	/nfs/dbraw/zinc/23/41/01/822234101.db2.gz	WFXXAASSHATNGI-BBRMVZONSA-N	1	1	386.521	4.365	20	30		GIEDMO
CC[C@H]([NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2)c1c(C)noc1C	ZINC000182461815	822252328	/nfs/dbraw/zinc/25/23/28/822252328.db2.gz	QTJPWKZFGBABPZ-INIZCTEOSA-N	1	1	386.521	4.173	20	30		GIEDMO
N#C[C@H](c1ccccc1)N1CC[NH+](Cc2cccc(OCc3ccccn3)c2)CC1	ZINC000178868202	822417763	/nfs/dbraw/zinc/41/77/63/822417763.db2.gz	WDPKHSMAPXOVDS-RUZDIDTESA-N	1	1	398.510	4.043	20	30		GIEDMO
C[N@H+]1CC[C@H](CNC(=O)/C=C/c2ccccc2C#N)[C@@H]1c1ccc(Cl)c(F)c1	ZINC000179470814	822487443	/nfs/dbraw/zinc/48/74/43/822487443.db2.gz	TWTIRZLNGGASSL-AVUHJFIJSA-N	1	1	397.881	4.173	20	30		GIEDMO
CC(C)Oc1ccc(NC(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1C#N	ZINC000183534752	822491211	/nfs/dbraw/zinc/49/12/11/822491211.db2.gz	LSECPHZNADGTRQ-DLBZAZTESA-N	1	1	384.524	4.120	20	30		GIEDMO
Cc1nc(C(F)(F)F)c(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)s1	ZINC000183569078	822496076	/nfs/dbraw/zinc/49/60/76/822496076.db2.gz	RDYKAGVZEUIIMX-UHFFFAOYSA-N	1	1	380.439	4.054	20	30		GIEDMO
Cc1nc(C(F)(F)F)c(C[N@H+]2CCCN(c3ccccc3C#N)CC2)s1	ZINC000183569078	822496077	/nfs/dbraw/zinc/49/60/77/822496077.db2.gz	RDYKAGVZEUIIMX-UHFFFAOYSA-N	1	1	380.439	4.054	20	30		GIEDMO
C=CCN(CCC#N)C(=O)Nc1ccc(C[N@H+](C[C@H]2CCCCO2)C(C)C)cc1	ZINC000455078719	822586166	/nfs/dbraw/zinc/58/61/66/822586166.db2.gz	SALNAFPQXGANKB-JOCHJYFZSA-N	1	1	398.551	4.400	20	30		GIEDMO
COc1cc(C[N@@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)ccc1SC	ZINC000180014181	822596629	/nfs/dbraw/zinc/59/66/29/822596629.db2.gz	BVIDIFJGSKRKHV-UHFFFAOYSA-N	1	1	392.528	4.321	20	30		GIEDMO
C[C@@H](C#N)Oc1ccccc1NC(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1	ZINC000180031802	822601199	/nfs/dbraw/zinc/60/11/99/822601199.db2.gz	RLYBXTRKDTWDKV-ROUUACIJSA-N	1	1	380.492	4.010	20	30		GIEDMO
CC[C@H]([NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1)c1nc(C)cs1	ZINC000184388674	822626802	/nfs/dbraw/zinc/62/68/02/822626802.db2.gz	QOPSWPADRLMOGR-INIZCTEOSA-N	1	1	376.913	4.093	20	30		GIEDMO
COc1cccc([C@H](O)C[N@@H+](Cc2ccc(C#N)s2)Cc2ccccc2)c1	ZINC000180219828	822641647	/nfs/dbraw/zinc/64/16/47/822641647.db2.gz	FDMDAQITSSGKSJ-JOCHJYFZSA-N	1	1	378.497	4.364	20	30		GIEDMO
CSCC[C@@H]([NH2+]Cc1ccccc1C(C)(C)C#N)c1nnc2ccccn21	ZINC000184601751	822664311	/nfs/dbraw/zinc/66/43/11/822664311.db2.gz	PQJJPQORIXUYEI-GOSISDBHSA-N	1	1	379.533	4.114	20	30		GIEDMO
C[C@H](NC(=O)NCCCC[N@@H+](C)C1CC1)c1ccc(-c2cccc(C#N)c2)cc1	ZINC000455619426	822685333	/nfs/dbraw/zinc/68/53/33/822685333.db2.gz	RMWVQUMOJHIIJC-SFHVURJKSA-N	1	1	390.531	4.460	20	30		GIEDMO
N#CCCn1cc(C[NH2+]Cc2nc3ccccc3n2C2CC2)c(-c2ccccc2)n1	ZINC000184772938	822688928	/nfs/dbraw/zinc/68/89/28/822688928.db2.gz	VXLXBTUBTSAIIL-UHFFFAOYSA-N	1	1	396.498	4.438	20	30		GIEDMO
C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)c1ccc(OCC#N)cc1	ZINC000180538558	822698525	/nfs/dbraw/zinc/69/85/25/822698525.db2.gz	RDNHSNGNTMXMBZ-FNXHNPQUSA-N	1	1	375.516	4.435	20	30		GIEDMO
C[C@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccc(OCC#N)cc1	ZINC000180538558	822698527	/nfs/dbraw/zinc/69/85/27/822698527.db2.gz	RDNHSNGNTMXMBZ-FNXHNPQUSA-N	1	1	375.516	4.435	20	30		GIEDMO
C[C@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccc(OCC#N)cc1	ZINC000180538558	822698528	/nfs/dbraw/zinc/69/85/28/822698528.db2.gz	RDNHSNGNTMXMBZ-FNXHNPQUSA-N	1	1	375.516	4.435	20	30		GIEDMO
C[C@@H]1CC[N@@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C[C@@H]1n1ccnc1	ZINC000180611855	822712048	/nfs/dbraw/zinc/71/20/48/822712048.db2.gz	YMJSMRVZRXQWHW-DVECYGJZSA-N	1	1	386.499	4.417	20	30		GIEDMO
Cn1cc(Br)cc1C[N@@H+](C)Cc1cccc(OCCCC#N)c1	ZINC000180614229	822712835	/nfs/dbraw/zinc/71/28/35/822712835.db2.gz	SRQHCVQWNLGYKP-UHFFFAOYSA-N	1	1	376.298	4.102	20	30		GIEDMO
C[C@H]1C[C@H](N(C)C(=O)Nc2cnc(C#N)c(Cl)c2)CC[N@H+]1Cc1ccccc1	ZINC000455777260	822724559	/nfs/dbraw/zinc/72/45/59/822724559.db2.gz	GBSGDXYOWITUTL-MAUKXSAKSA-N	1	1	397.910	4.123	20	30		GIEDMO
CCN(C(=O)Nc1cccc(CC#N)c1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1	ZINC000455917963	822749177	/nfs/dbraw/zinc/74/91/77/822749177.db2.gz	KOVUMJPNKFBLAQ-XMSQKQJNSA-N	1	1	376.504	4.442	20	30		GIEDMO
CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1cccc(CC#N)c1	ZINC000455922411	822750090	/nfs/dbraw/zinc/75/00/90/822750090.db2.gz	QPTQGXZIBUWXHL-OAQYLSRUSA-N	1	1	376.504	4.129	20	30		GIEDMO
C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)Nc2cccc(CC#N)c2)C1	ZINC000455925273	822750526	/nfs/dbraw/zinc/75/05/26/822750526.db2.gz	XGCIFPIYIOWXBU-GOSISDBHSA-N	1	1	376.504	4.306	20	30		GIEDMO
COc1ccc([C@@H]2CCCCCN2C(=O)C[N@H+](C)Cc2ccc(C#N)cc2)cc1	ZINC000052580744	822804335	/nfs/dbraw/zinc/80/43/35/822804335.db2.gz	JOKGBIVOBKVXTO-QHCPKHFHSA-N	1	1	391.515	4.143	20	30		GIEDMO
COc1ccc([C@@H]2CCCCCN2C(=O)C[N@@H+](C)Cc2ccc(C#N)cc2)cc1	ZINC000052580744	822804336	/nfs/dbraw/zinc/80/43/36/822804336.db2.gz	JOKGBIVOBKVXTO-QHCPKHFHSA-N	1	1	391.515	4.143	20	30		GIEDMO
C[N@H+](CC(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1)Cc1cccc(C#N)c1	ZINC000052580416	822804367	/nfs/dbraw/zinc/80/43/67/822804367.db2.gz	YULZLFJKGLZHFK-RUZDIDTESA-N	1	1	395.506	4.164	20	30		GIEDMO
C[N@@H+](CC(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1)Cc1cccc(C#N)c1	ZINC000052580416	822804369	/nfs/dbraw/zinc/80/43/69/822804369.db2.gz	YULZLFJKGLZHFK-RUZDIDTESA-N	1	1	395.506	4.164	20	30		GIEDMO
C[C@@H](NCC#Cc1ccc(OC(F)(F)F)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1	ZINC000185754705	822817966	/nfs/dbraw/zinc/81/79/66/822817966.db2.gz	KXHKVGUNKJXMMA-SJLPKXTDSA-N	1	1	380.454	4.179	20	30		GIEDMO
C[N@@H+](CCCCNC(=O)c1ccccc1SCc1ccc(C#N)cc1)C1CC1	ZINC000457169436	822858631	/nfs/dbraw/zinc/85/86/31/822858631.db2.gz	FRZQLUORXABKFI-UHFFFAOYSA-N	1	1	393.556	4.455	20	30		GIEDMO
CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@H](C)Oc2ccc(C#N)cc2)c1	ZINC000054011309	822858670	/nfs/dbraw/zinc/85/86/70/822858670.db2.gz	QDYLONFFDHAEMY-KRWDZBQOSA-N	1	1	388.471	4.332	20	30		GIEDMO
Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+]C2(c3nccs3)CCCC2)c1	ZINC000175008130	822866618	/nfs/dbraw/zinc/86/66/18/822866618.db2.gz	HRNVHBPAXVCEEP-UHFFFAOYSA-N	1	1	382.533	4.066	20	30		GIEDMO
CCOc1c(Br)cc(C[NH2+][C@H](CC)CC#N)cc1Br	ZINC000054183620	822866665	/nfs/dbraw/zinc/86/66/65/822866665.db2.gz	IANNGXNQDZYGKN-LLVKDONJSA-N	1	1	390.119	4.392	20	30		GIEDMO
CC[C@H](CC#N)[NH2+]Cc1cc(Br)c(OC)c(Br)c1	ZINC000054183654	822866678	/nfs/dbraw/zinc/86/66/78/822866678.db2.gz	NXLRGYNCWAQFCU-SNVBAGLBSA-N	1	1	376.092	4.002	20	30		GIEDMO
C=C(C)[C@@H]([NH2+][C@H](C)c1cccc(S(=O)(=O)N(C)C)c1)c1ccc(F)c(F)c1	ZINC000186447413	822897227	/nfs/dbraw/zinc/89/72/27/822897227.db2.gz	MYWLKUNFELEEPR-JLTOFOAXSA-N	1	1	394.487	4.183	20	30		GIEDMO
C=C(C)[C@H]([NH2+][C@@H](C)c1ccccc1OCC(=O)OC)c1ccc(F)c(F)c1	ZINC000186449787	822897597	/nfs/dbraw/zinc/89/75/97/822897597.db2.gz	ZVJIPZCIEDTRRM-QKKBWIMNSA-N	1	1	375.415	4.485	20	30		GIEDMO
C=C(C)[C@H]([NH2+][C@H](C)c1ccc(S(C)(=O)=O)c(OC)c1)c1ccc(F)c(F)c1	ZINC000186454097	822898381	/nfs/dbraw/zinc/89/83/81/822898381.db2.gz	GOQMYKKEKYHOJG-XCLFUZPHSA-N	1	1	395.471	4.345	20	30		GIEDMO
N#Cc1cccc(OC2CC[NH+](Cc3ncc(-c4cccc(F)c4)o3)CC2)c1	ZINC000175182203	822899208	/nfs/dbraw/zinc/89/92/08/822899208.db2.gz	WGJXYSFARGSRQX-UHFFFAOYSA-N	1	1	377.419	4.396	20	30		GIEDMO
C=CCn1c(-c2cccnc2)nn(C[N@H+]2CC[C@H](c3ccccc3)[C@@H]2C)c1=S	ZINC000175269631	822920329	/nfs/dbraw/zinc/92/03/29/822920329.db2.gz	YBCKZIHZEDXRTD-PXNSSMCTSA-N	1	1	391.544	4.498	20	30		GIEDMO
C=CCn1c(-c2cccnc2)nn(C[N@@H+]2CC[C@H](c3ccccc3)[C@@H]2C)c1=S	ZINC000175269631	822920333	/nfs/dbraw/zinc/92/03/33/822920333.db2.gz	YBCKZIHZEDXRTD-PXNSSMCTSA-N	1	1	391.544	4.498	20	30		GIEDMO
COc1ccc(F)cc1[C@H](C)[NH2+][C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000055152478	822941575	/nfs/dbraw/zinc/94/15/75/822941575.db2.gz	CIBRPDQUHZKGKW-NWDGAFQWSA-N	1	1	375.831	4.037	20	30		GIEDMO
C[N@@H+](CCC(=O)Nc1sccc1C#N)[C@H]1C[C@H](Oc2ccccc2)C1(C)C	ZINC000569953149	822989462	/nfs/dbraw/zinc/98/94/62/822989462.db2.gz	CWYBUVYJWPMANU-ROUUACIJSA-N	1	1	383.517	4.126	20	30		GIEDMO
C=C(C)Cn1c(Cc2ccccc2F)nnc1N1CCC[N@H+](C2CCCC2)CC1	ZINC000460931915	823545034	/nfs/dbraw/zinc/54/50/34/823545034.db2.gz	MPAMJHZUZRKLER-UHFFFAOYSA-N	1	1	397.542	4.039	20	30		GIEDMO
N#Cc1ccc(C[N@@H+]2CCCN(Cc3ccc(-c4ncco4)cc3F)CC2)cc1	ZINC000411123792	823550010	/nfs/dbraw/zinc/55/00/10/823550010.db2.gz	FIWBCEGFPUBZRJ-UHFFFAOYSA-N	1	1	390.462	4.060	20	30		GIEDMO
N#Cc1ccc(CN2CCC[N@@H+](Cc3ccc(-c4ncco4)cc3F)CC2)cc1	ZINC000411123792	823550014	/nfs/dbraw/zinc/55/00/14/823550014.db2.gz	FIWBCEGFPUBZRJ-UHFFFAOYSA-N	1	1	390.462	4.060	20	30		GIEDMO
N#Cc1ccc(CN2CCC[N@H+](Cc3ccc(-c4ncco4)cc3F)CC2)cc1	ZINC000411123792	823550019	/nfs/dbraw/zinc/55/00/19/823550019.db2.gz	FIWBCEGFPUBZRJ-UHFFFAOYSA-N	1	1	390.462	4.060	20	30		GIEDMO
C=C(C)Cn1c(CCC(C)C)nnc1N1CCC(c2[nH+]cc3n2CCCC3)CC1	ZINC000460958630	823550678	/nfs/dbraw/zinc/55/06/78/823550678.db2.gz	HVLNXSMVIWKTKF-UHFFFAOYSA-N	1	1	396.583	4.360	20	30		GIEDMO
C=CC[N@H+](Cc1cccc(C#N)c1)[C@@H](C)C(=O)N1CCC[C@H]1c1cccs1	ZINC000411194250	823556202	/nfs/dbraw/zinc/55/62/02/823556202.db2.gz	PTAJJZLQSYDNFB-PXNSSMCTSA-N	1	1	379.529	4.360	20	30		GIEDMO
C=CC[N@@H+](Cc1cccc(C#N)c1)[C@@H](C)C(=O)N1CCC[C@H]1c1cccs1	ZINC000411194250	823556205	/nfs/dbraw/zinc/55/62/05/823556205.db2.gz	PTAJJZLQSYDNFB-PXNSSMCTSA-N	1	1	379.529	4.360	20	30		GIEDMO
C=CC[N@H+](Cc1cccc(C#N)c1)[C@H]1CCN([C@H](C)c2ccc(F)cc2)C1=O	ZINC000411196511	823556426	/nfs/dbraw/zinc/55/64/26/823556426.db2.gz	UWIPMGXISSQTTI-VGSWGCGISA-N	1	1	377.463	4.047	20	30		GIEDMO
C=CC[N@@H+](Cc1cccc(C#N)c1)[C@H]1CCN([C@H](C)c2ccc(F)cc2)C1=O	ZINC000411196511	823556429	/nfs/dbraw/zinc/55/64/29/823556429.db2.gz	UWIPMGXISSQTTI-VGSWGCGISA-N	1	1	377.463	4.047	20	30		GIEDMO
N#Cc1ccccc1N1CCC[N@@H+](Cc2csc(Br)c2)CC1	ZINC000060997058	823571875	/nfs/dbraw/zinc/57/18/75/823571875.db2.gz	HDBOFBBIQJZNQT-UHFFFAOYSA-N	1	1	376.323	4.095	20	30		GIEDMO
N#Cc1ccccc1N1CCC[N@H+](Cc2csc(Br)c2)CC1	ZINC000060997058	823571878	/nfs/dbraw/zinc/57/18/78/823571878.db2.gz	HDBOFBBIQJZNQT-UHFFFAOYSA-N	1	1	376.323	4.095	20	30		GIEDMO
CCC[N@H+](Cc1nc(-c2ccc(OCC)cc2)no1)Cc1ccc(C#N)cc1	ZINC000061001690	823572097	/nfs/dbraw/zinc/57/20/97/823572097.db2.gz	PJHXTECSTNGYQP-UHFFFAOYSA-N	1	1	376.460	4.419	20	30		GIEDMO
CCC[N@@H+](Cc1nc(-c2ccc(OCC)cc2)no1)Cc1ccc(C#N)cc1	ZINC000061001690	823572101	/nfs/dbraw/zinc/57/21/01/823572101.db2.gz	PJHXTECSTNGYQP-UHFFFAOYSA-N	1	1	376.460	4.419	20	30		GIEDMO
C[C@@H](c1ccncc1)[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2	ZINC000411427740	823572980	/nfs/dbraw/zinc/57/29/80/823572980.db2.gz	UKGAQJKUVJNFGM-GJZGRUSLSA-N	1	1	382.533	4.161	20	30		GIEDMO
C=CCOc1ccc(C(F)(F)F)cc1C(=O)N(C)CC[C@H]1CCCC[N@H+]1C	ZINC000461256329	823606088	/nfs/dbraw/zinc/60/60/88/823606088.db2.gz	HWFLFJYUNIDYIS-MRXNPFEDSA-N	1	1	384.442	4.217	20	30		GIEDMO
CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)c1cccc(COc2ccccc2C#N)c1	ZINC000461263773	823608347	/nfs/dbraw/zinc/60/83/47/823608347.db2.gz	MTSHITQNBYQTRB-QFIPXVFZSA-N	1	1	391.515	4.084	20	30		GIEDMO
CSc1ccccc1OC[C@H](O)C[N@H+](Cc1ccc(F)cc1C#N)C(C)C	ZINC000411980259	823617700	/nfs/dbraw/zinc/61/77/00/823617700.db2.gz	GUYQXLQZLYRDIF-LJQANCHMSA-N	1	1	388.508	4.070	20	30		GIEDMO
CSc1ccccc1OC[C@H](O)C[N@@H+](Cc1ccc(F)cc1C#N)C(C)C	ZINC000411980259	823617702	/nfs/dbraw/zinc/61/77/02/823617702.db2.gz	GUYQXLQZLYRDIF-LJQANCHMSA-N	1	1	388.508	4.070	20	30		GIEDMO
N#CC[C@H](CC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1)c1ccccc1	ZINC000461426997	823634520	/nfs/dbraw/zinc/63/45/20/823634520.db2.gz	KEYDVAADDAKURX-SMIHKQSGSA-N	1	1	387.527	4.054	20	30		GIEDMO
COc1cc2c(cc1OC)[C@@H](c1ccccc1)[N@H+](Cc1cc(C#N)n(C)c1)CC2	ZINC000191180155	823656845	/nfs/dbraw/zinc/65/68/45/823656845.db2.gz	WLNBKFSUDPMICP-XMMPIXPASA-N	1	1	387.483	4.062	20	30		GIEDMO
COc1cc2c(cc1OC)[C@@H](c1ccccc1)[N@@H+](Cc1cc(C#N)n(C)c1)CC2	ZINC000191180155	823656846	/nfs/dbraw/zinc/65/68/46/823656846.db2.gz	WLNBKFSUDPMICP-XMMPIXPASA-N	1	1	387.483	4.062	20	30		GIEDMO
C=CC[N@H+](CCC(=O)Nc1ccccc1SC)Cc1cccc([N+](=O)[O-])c1	ZINC000063288191	823660217	/nfs/dbraw/zinc/66/02/17/823660217.db2.gz	FINZGNDSSCXHBC-UHFFFAOYSA-N	1	1	385.489	4.334	20	30		GIEDMO
C=CC[N@@H+](Cc1cccc(C#N)c1)C[C@H](O)COc1ccc(Cl)cc1Cl	ZINC000063299729	823660966	/nfs/dbraw/zinc/66/09/66/823660966.db2.gz	KSXCLUWFLJQCDM-SFHVURJKSA-N	1	1	391.298	4.293	20	30		GIEDMO
C=CC[N@@H+](Cc1cccc(C#N)c1)C[C@@H](O)CO[C@@H](C)c1ccc(Cl)cc1	ZINC000063388207	823666381	/nfs/dbraw/zinc/66/63/81/823666381.db2.gz	YWUZQTIRGBGEBB-HTAPYJJXSA-N	1	1	384.907	4.338	20	30		GIEDMO
C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C	ZINC000063400490	823668017	/nfs/dbraw/zinc/66/80/17/823668017.db2.gz	CHZFSSGNQIZMRE-NRFANRHFSA-N	1	1	396.922	4.212	20	30		GIEDMO
C[N@H+]1CCC[C@H]2CN(C(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)CC[C@@H]21	ZINC000125380168	823671825	/nfs/dbraw/zinc/67/18/25/823671825.db2.gz	GWWDKBYSMLSBQA-AVRDEDQJSA-N	1	1	390.487	4.299	20	30		GIEDMO
CCCNc1ccc(C#N)cc1NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1	ZINC000461646678	823674765	/nfs/dbraw/zinc/67/47/65/823674765.db2.gz	BBXZQQDNXOZLTR-FQEVSTJZSA-N	1	1	376.504	4.231	20	30		GIEDMO
Cc1noc([C@@H]2CCC[N@@H+](CCC(C#N)(c3ccccc3)c3ccccc3)C2)n1	ZINC000191459655	823687575	/nfs/dbraw/zinc/68/75/75/823687575.db2.gz	QZCZRFNCHATMLC-HXUWFJFHSA-N	1	1	386.499	4.457	20	30		GIEDMO
Cc1nc(NCc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c(Cl)cc1C#N	ZINC000461787736	823695279	/nfs/dbraw/zinc/69/52/79/823695279.db2.gz	VCVZOQMDVMXZNL-GASCZTMLSA-N	1	1	384.911	4.136	20	30		GIEDMO
Cc1nc(NCc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(Cl)cc1C#N	ZINC000461787260	823695312	/nfs/dbraw/zinc/69/53/12/823695312.db2.gz	UGJRZOUJHHBHIV-GASCZTMLSA-N	1	1	384.911	4.136	20	30		GIEDMO
CCOC(=O)c1csc(C2CC[NH+](CC#Cc3cccc(Cl)c3)CC2)n1	ZINC000191568597	823701360	/nfs/dbraw/zinc/70/13/60/823701360.db2.gz	XBGDURVOXBHILO-UHFFFAOYSA-N	1	1	388.920	4.204	20	30		GIEDMO
N#Cc1ncc(C(F)(F)F)cc1N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1	ZINC000413278620	823744303	/nfs/dbraw/zinc/74/43/03/823744303.db2.gz	GTNICBVRZKEABB-HXUWFJFHSA-N	1	1	386.421	4.074	20	30		GIEDMO
C[C@H](C(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)c1cccc(C#N)c1	ZINC000461904064	823746999	/nfs/dbraw/zinc/74/69/99/823746999.db2.gz	SQCKMMYKHFWHBP-MOPGFXCFSA-N	1	1	375.516	4.353	20	30		GIEDMO
N#CC[C@@H]1CC[C@H](NC(=O)NC[C@@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)C1	ZINC000574492693	823747272	/nfs/dbraw/zinc/74/72/72/823747272.db2.gz	ONOXKIKNQTWIJP-VDGAXYAQSA-N	1	1	388.943	4.076	20	30		GIEDMO
C[C@H](C(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)c1cccc(C#N)c1	ZINC000461910199	823750585	/nfs/dbraw/zinc/75/05/85/823750585.db2.gz	URSVUQVOWUXAPD-OALUTQOASA-N	1	1	375.516	4.210	20	30		GIEDMO
C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)N[C@H]2CCCc3cc(C#N)ccc32)C1	ZINC000574549140	823761817	/nfs/dbraw/zinc/76/18/17/823761817.db2.gz	LTPCCUKIHZUVNW-XQFWAAQXSA-N	1	1	394.563	4.232	20	30		GIEDMO
N#CCCC1CC[NH+](CC(=O)N2N=C(c3cccs3)C[C@@H]2c2ccco2)CC1	ZINC000574633838	823786715	/nfs/dbraw/zinc/78/67/15/823786715.db2.gz	CJQGHJFDMJYITR-GOSISDBHSA-N	1	1	396.516	4.035	20	30		GIEDMO
N#Cc1cccc(Oc2ccc(NC(=O)c3cc(C[NH+]4CCCC4)on3)cc2)c1	ZINC000462075691	823820690	/nfs/dbraw/zinc/82/06/90/823820690.db2.gz	RWICUUQFGFUGQV-UHFFFAOYSA-N	1	1	388.427	4.187	20	30		GIEDMO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@H]3C[C@H]3c3cccc(Cl)c3)CC2)cc1	ZINC000064487131	823829207	/nfs/dbraw/zinc/82/92/07/823829207.db2.gz	NXGAAHRWURQXIC-VXKWHMMOSA-N	1	1	393.918	4.050	20	30		GIEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@H]3C[C@H]3c3cccc(Cl)c3)CC2)cc1	ZINC000064487131	823829210	/nfs/dbraw/zinc/82/92/10/823829210.db2.gz	NXGAAHRWURQXIC-VXKWHMMOSA-N	1	1	393.918	4.050	20	30		GIEDMO
CC(C)[N@H+](C)C[C@H](C)NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1	ZINC000462119638	823834687	/nfs/dbraw/zinc/83/46/87/823834687.db2.gz	GPORVLNAIFLERM-SFHVURJKSA-N	1	1	396.510	4.138	20	30		GIEDMO
C=CC[C@H](Cc1ccccc1)NC(=O)N1CCC(Oc2cc[nH+]cc2C)CC1	ZINC000413823842	823845627	/nfs/dbraw/zinc/84/56/27/823845627.db2.gz	BEUXTGBSMFLXIK-HXUWFJFHSA-N	1	1	379.504	4.130	20	30		GIEDMO
CCCN(C(=O)c1cccs1)C1CC[NH+](Cc2ccc(C#N)c(F)c2)CC1	ZINC000192079842	823853524	/nfs/dbraw/zinc/85/35/24/823853524.db2.gz	NJPLUCIVCBUIIK-UHFFFAOYSA-N	1	1	385.508	4.276	20	30		GIEDMO
Cc1onc(-c2ccccc2)c1-c1nnc(C[NH+]2CCC(CCC#N)CC2)o1	ZINC000575043288	823898164	/nfs/dbraw/zinc/89/81/64/823898164.db2.gz	SKXMDTMZOHSARG-UHFFFAOYSA-N	1	1	377.448	4.216	20	30		GIEDMO
C[C@H](C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)c1cccc(C#N)c1	ZINC000462265793	823906120	/nfs/dbraw/zinc/90/61/20/823906120.db2.gz	CGVKOTPJXNLPGU-FQEVSTJZSA-N	1	1	387.527	4.176	20	30		GIEDMO
C[C@H](C(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1)c1cccc(C#N)c1	ZINC000462279407	823910728	/nfs/dbraw/zinc/91/07/28/823910728.db2.gz	YMXVZXXNIBFFLF-XQAUZQBESA-N	1	1	399.897	4.263	20	30		GIEDMO
C=CCOc1ccc(C[NH2+]Cc2cc(O)c(OC)cc2Br)cc1	ZINC000575218224	823942752	/nfs/dbraw/zinc/94/27/52/823942752.db2.gz	WPMHESXUOZNZGD-UHFFFAOYSA-N	1	1	378.266	4.018	20	30		GIEDMO
COc1ccccc1-c1nc(C2CC[NH+](Cc3cc(C#N)ccc3F)CC2)no1	ZINC000192340375	823952411	/nfs/dbraw/zinc/95/24/11/823952411.db2.gz	DTGXBPCGMCKARC-UHFFFAOYSA-N	1	1	392.434	4.136	20	30		GIEDMO
Cc1oc(NC(=O)C[N@H+](CC(C)C)[C@@H]2CCCc3cccnc32)c(C#N)c1C	ZINC000126927679	823982755	/nfs/dbraw/zinc/98/27/55/823982755.db2.gz	SCGNMEJYAFILPK-LJQANCHMSA-N	1	1	380.492	4.137	20	30		GIEDMO
Cc1cc(C)cc([C@@H]2CC[N@@H+](Cc3cn(CCC#N)nc3-c3ccncc3)C2)c1	ZINC000575931872	824031593	/nfs/dbraw/zinc/03/15/93/824031593.db2.gz	IMCBEKNOBLPFCQ-OAQYLSRUSA-N	1	1	385.515	4.465	20	30		GIEDMO
Cc1[nH+]cc2n1CCN(C(F)(F)c1cnc(Cl)c(-c3cccc(C#N)c3)c1)C2	ZINC001164450414	718993011	/nfs/dbraw/zinc/99/30/11/718993011.db2.gz	VTKBUSFJZQISHX-UHFFFAOYSA-N	1	1	399.832	4.344	20	30		GIEDMO
CCN(CCC#N)c1nc(C[NH+]2CCC(C)CC2)nc2sc3c(c21)CCC3	ZINC001165048002	721987622	/nfs/dbraw/zinc/98/76/22/721987622.db2.gz	HHHOERULLJFDLW-UHFFFAOYSA-N	1	1	383.565	4.152	20	30		GIEDMO
C=CCOC[C@@H]1CCC[C@@]12CN(c1ccc([C@@H]3CCCC[N@@H+]3CC)cn1)CCO2	ZINC001164980236	722169761	/nfs/dbraw/zinc/16/97/61/722169761.db2.gz	XJANFGUWAHRNDA-WPFOTENUSA-N	1	1	399.579	4.207	20	30		GIEDMO
CC(C)[N@@H+]1CC[C@@H](NC(=O)N(C)CC(C)(C)C#N)[C@H]1c1ccc(Cl)c(F)c1	ZINC000458647378	823069351	/nfs/dbraw/zinc/06/93/51/823069351.db2.gz	YQMDOBXEAFFSIF-QZTJIDSGSA-N	1	1	394.922	4.194	20	30		GIEDMO
CC(C)[N@H+]1CC[C@@H](NC(=O)N(C)CC(C)(C)C#N)[C@H]1c1ccc(Cl)c(F)c1	ZINC000458647378	823069354	/nfs/dbraw/zinc/06/93/54/823069354.db2.gz	YQMDOBXEAFFSIF-QZTJIDSGSA-N	1	1	394.922	4.194	20	30		GIEDMO
CCc1[nH+]ccn1[C@H]1CCCN(C(=O)N[C@@H](CCCC#N)c2ccccc2)C1	ZINC000458797848	823087175	/nfs/dbraw/zinc/08/71/75/823087175.db2.gz	HBRQTFWHZNLVKY-PMACEKPBSA-N	1	1	379.508	4.227	20	30		GIEDMO
N#CCCC[C@H](NC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccccc1	ZINC000458805091	823088967	/nfs/dbraw/zinc/08/89/67/823088967.db2.gz	TWWDCIQASKKLCY-ILWGZMRPSA-N	1	1	380.536	4.080	20	30		GIEDMO
N#CC[C@H](CC(=O)NC[C@@H]([NH2+]Cc1ccccc1)c1ccco1)c1ccccc1	ZINC000571067226	823127215	/nfs/dbraw/zinc/12/72/15/823127215.db2.gz	CGLOGSNNPCQZMB-FGZHOGPDSA-N	1	1	387.483	4.314	20	30		GIEDMO
C=C(C)[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc(OC)c(OC)c1)c1ccc(F)c(F)c1	ZINC000187759450	823127226	/nfs/dbraw/zinc/12/72/26/823127226.db2.gz	ZSFZSAXCYZDSSN-RBZFPXEDSA-N	1	1	390.430	4.216	20	30		GIEDMO
C[C@H](C#N)Oc1ccccc1NC(=O)NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1	ZINC000187797957	823135295	/nfs/dbraw/zinc/13/52/95/823135295.db2.gz	ZTJVJKDDQDXYMI-UTKZUKDTSA-N	1	1	392.503	4.010	20	30		GIEDMO
C=CCOc1ccc(C(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cc1OC	ZINC000176186174	823148181	/nfs/dbraw/zinc/14/81/81/823148181.db2.gz	RDIHBJLANQBCTG-INIZCTEOSA-N	1	1	391.471	4.245	20	30		GIEDMO
Cc1cc(N2CCC(CCC#N)CC2)nc([C@H](C)[NH+]2CCC(CCC#N)CC2)n1	ZINC000571321194	823164767	/nfs/dbraw/zinc/16/47/67/823164767.db2.gz	ZZNILTIHPWCGIZ-IBGZPJMESA-N	1	1	394.567	4.382	20	30		GIEDMO
C[N@H+]1CCC[C@H](CNC[C@H](C#N)CCC#N)[C@H]1c1ccc(C(F)(F)F)cc1	ZINC000571599367	823205860	/nfs/dbraw/zinc/20/58/60/823205860.db2.gz	XNVSVNIRVHLFFQ-KVSKMBFKSA-N	1	1	378.442	4.121	20	30		GIEDMO
CC(C)[N@H+](Cc1ccc(C#N)cc1C(F)(F)F)C[C@@H](O)COc1ccccc1	ZINC000571614591	823209417	/nfs/dbraw/zinc/20/94/17/823209417.db2.gz	UOIOHGPMVNFWDW-GOSISDBHSA-N	1	1	392.421	4.227	20	30		GIEDMO
N#Cc1ccc(CN2CCCC3(CCC[N@@H+](Cc4ccc(C#N)s4)C3)C2)s1	ZINC000571654890	823215285	/nfs/dbraw/zinc/21/52/85/823215285.db2.gz	XXELDAIZCXGGFO-UHFFFAOYSA-N	1	1	396.585	4.431	20	30		GIEDMO
C=CCN(Cc1ccc(OC)cc1)C(=O)NCc1ccccc1C[N@@H+](C)C(C)C	ZINC000056846301	823222865	/nfs/dbraw/zinc/22/28/65/823222865.db2.gz	IAODCTUYDDHJKO-UHFFFAOYSA-N	1	1	395.547	4.433	20	30		GIEDMO
C=CCOc1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)cc1OC	ZINC000459649593	823238888	/nfs/dbraw/zinc/23/88/88/823238888.db2.gz	MFRNNAWDBMDACM-LJQANCHMSA-N	1	1	399.453	4.441	20	30		GIEDMO
Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+](C)C2CC(C)(C)C2)c1C#N	ZINC000459739512	823258896	/nfs/dbraw/zinc/25/88/96/823258896.db2.gz	KQECAKSHCGHDHC-UHFFFAOYSA-N	1	1	382.508	4.067	20	30		GIEDMO
CC[N@H+]1CC[C@H](N(C)C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)[C@H](C)C1	ZINC000122316873	823336958	/nfs/dbraw/zinc/33/69/58/823336958.db2.gz	CJAUZDRHJIRHBJ-VGSWGCGISA-N	1	1	377.488	4.153	20	30		GIEDMO
CCc1ccc(NC(=S)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1	ZINC000017517675	818517803	/nfs/dbraw/zinc/51/78/03/818517803.db2.gz	XCMKQTSNOSMIMJ-UHFFFAOYSA-N	1	1	378.545	4.025	20	30		GIEDMO
Cc1ccc(NC(=S)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1C	ZINC000017517653	818517889	/nfs/dbraw/zinc/51/78/89/818517889.db2.gz	WMNMKBIBZBRBPN-UHFFFAOYSA-N	1	1	378.545	4.080	20	30		GIEDMO
CC(C)c1ccc([C@H]([NH2+]CC(=O)N[C@@](C)(C#N)C2CC2)c2cccs2)cc1	ZINC000058069525	823359062	/nfs/dbraw/zinc/35/90/62/823359062.db2.gz	SDLZMOHGJPOEEX-VXKWHMMOSA-N	1	1	381.545	4.359	20	30		GIEDMO
CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)NC(=O)CCc1ccc(C#N)cc1	ZINC000410053906	823381000	/nfs/dbraw/zinc/38/10/00/823381000.db2.gz	OOMXDGQZFYAMOB-QHCPKHFHSA-N	1	1	389.543	4.080	20	30		GIEDMO
N#Cc1ccsc1N1CC[C@H]([NH2+][C@H](c2ccccc2)c2ccc(F)cc2)C1=O	ZINC000177142339	823381482	/nfs/dbraw/zinc/38/14/82/823381482.db2.gz	MYRJGRYATGSNGR-VQTJNVASSA-N	1	1	391.471	4.243	20	30		GIEDMO
CC(C)[N@@H+](CC(=O)N(C)Cc1ccc(Cl)s1)Cc1ccc(C#N)cc1	ZINC000058397146	823385843	/nfs/dbraw/zinc/38/58/43/823385843.db2.gz	QMBUSDONGGDVJW-UHFFFAOYSA-N	1	1	375.925	4.142	20	30		GIEDMO
Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1	ZINC000122769863	823409333	/nfs/dbraw/zinc/40/93/33/823409333.db2.gz	BLUVYOJTIDGKCL-UXHICEINSA-N	1	1	375.497	4.028	20	30		GIEDMO
N#CCCCOc1cccc(C[N@@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)c1	ZINC000122863839	823425556	/nfs/dbraw/zinc/42/55/56/823425556.db2.gz	VFYQOUWLEIACOP-FQEVSTJZSA-N	1	1	377.488	4.220	20	30		GIEDMO
C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC=C(c2ccc(O)cc2)CC1	ZINC000025680408	820014286	/nfs/dbraw/zinc/01/42/86/820014286.db2.gz	ARQKAGPNRVGMRJ-AWEZNQCLSA-N	1	1	381.863	4.034	20	30		GIEDMO
C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC=C(c2ccc(O)cc2)CC1	ZINC000025680408	820014295	/nfs/dbraw/zinc/01/42/95/820014295.db2.gz	ARQKAGPNRVGMRJ-AWEZNQCLSA-N	1	1	381.863	4.034	20	30		GIEDMO
C[N@H+](CC(=O)N(CCc1ccccc1)Cc1ccccc1)Cc1cccc(C#N)c1	ZINC000026323577	820083274	/nfs/dbraw/zinc/08/32/74/820083274.db2.gz	JDHUAKYXABXPHV-UHFFFAOYSA-N	1	1	397.522	4.262	20	30		GIEDMO
C[N@@H+](CC(=O)N(CCc1ccccc1)Cc1ccccc1)Cc1cccc(C#N)c1	ZINC000026323577	820083284	/nfs/dbraw/zinc/08/32/84/820083284.db2.gz	JDHUAKYXABXPHV-UHFFFAOYSA-N	1	1	397.522	4.262	20	30		GIEDMO
C[N@H+](CC(=O)N[C@@H](Cc1ccccc1)c1ccccc1)Cc1cccc(C#N)c1	ZINC000026326093	820083830	/nfs/dbraw/zinc/08/38/30/820083830.db2.gz	CNTHGNQAKGCOJW-DEOSSOPVSA-N	1	1	383.495	4.090	20	30		GIEDMO
C[N@@H+](CC(=O)N[C@@H](Cc1ccccc1)c1ccccc1)Cc1cccc(C#N)c1	ZINC000026326093	820083839	/nfs/dbraw/zinc/08/38/39/820083839.db2.gz	CNTHGNQAKGCOJW-DEOSSOPVSA-N	1	1	383.495	4.090	20	30		GIEDMO
C[C@H](c1ccc(F)cc1)[N@H+](C)CC(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000027897957	820294956	/nfs/dbraw/zinc/29/49/56/820294956.db2.gz	OBAGGWDQWFUDTC-OAHLLOKOSA-N	1	1	392.396	4.005	20	30		GIEDMO
C[C@H](c1ccc(F)cc1)[N@@H+](C)CC(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000027897957	820294963	/nfs/dbraw/zinc/29/49/63/820294963.db2.gz	OBAGGWDQWFUDTC-OAHLLOKOSA-N	1	1	392.396	4.005	20	30		GIEDMO
CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@@H](C)c2ccccc2Cl)cc1	ZINC000028955210	820377456	/nfs/dbraw/zinc/37/74/56/820377456.db2.gz	YERGGUSJYYHDPK-INIZCTEOSA-N	1	1	385.895	4.336	20	30		GIEDMO
C=CCOc1c(Br)cc(C[NH2+][C@H](COC)c2ccco2)cc1OC	ZINC000177577321	823495192	/nfs/dbraw/zinc/49/51/92/823495192.db2.gz	AGXCWZFPPAFVOS-OAHLLOKOSA-N	1	1	396.281	4.093	20	30		GIEDMO
C=C(C)Cn1c(COc2cccc(C)c2)nnc1N(C)[C@@H]1CC[N@H+](CC)[C@H](C)C1	ZINC000460795062	823514409	/nfs/dbraw/zinc/51/44/09/823514409.db2.gz	RJNBCTDXVQKPIW-WOJBJXKFSA-N	1	1	397.567	4.051	20	30		GIEDMO
C[C@@H]1C[NH+](Cc2ccc(C(=O)Nc3ccc(Cl)cc3CC#N)cc2)C[C@@H](C)O1	ZINC000410969164	823525926	/nfs/dbraw/zinc/52/59/26/823525926.db2.gz	PDMJVHPZUXRVBG-HZPDHXFCSA-N	1	1	397.906	4.268	20	30		GIEDMO
C[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1nc2c(s1)CCCC2	ZINC000177793573	823526917	/nfs/dbraw/zinc/52/69/17/823526917.db2.gz	UVHSGFYNESUHBC-UHFFFAOYSA-N	1	1	388.924	4.008	20	30		GIEDMO
C[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1nc2c(s1)CCCC2	ZINC000177793573	823526921	/nfs/dbraw/zinc/52/69/21/823526921.db2.gz	UVHSGFYNESUHBC-UHFFFAOYSA-N	1	1	388.924	4.008	20	30		GIEDMO
CC[N@H+](CCOc1ccccc1C#N)CC(=O)Nc1c(Cl)cccc1Cl	ZINC000060466428	823531229	/nfs/dbraw/zinc/53/12/29/823531229.db2.gz	JTKBLEFVXPWURL-UHFFFAOYSA-N	1	1	392.286	4.204	20	30		GIEDMO
CC[N@@H+](CCOc1ccccc1C#N)CC(=O)Nc1c(Cl)cccc1Cl	ZINC000060466428	823531233	/nfs/dbraw/zinc/53/12/33/823531233.db2.gz	JTKBLEFVXPWURL-UHFFFAOYSA-N	1	1	392.286	4.204	20	30		GIEDMO
Cc1sc2nc(C[NH+]3CCCC3)nc(NCc3cccc(C#N)c3)c2c1C	ZINC000042104027	821266398	/nfs/dbraw/zinc/26/63/98/821266398.db2.gz	ITWNQNKLTPCIQF-UHFFFAOYSA-N	1	1	377.517	4.388	20	30		GIEDMO
CCOc1ccccc1NC(=O)[C@H]([NH2+]Cc1cccc(C#N)c1)c1ccccc1	ZINC000042183244	821280082	/nfs/dbraw/zinc/28/00/82/821280082.db2.gz	DFPNYRSLUQGHQQ-HSZRJFAPSA-N	1	1	385.467	4.427	20	30		GIEDMO
Cc1cc(C)c(NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c(C)c1	ZINC000043150526	821369300	/nfs/dbraw/zinc/36/93/00/821369300.db2.gz	FWQOLNJSCGDRBU-UHFFFAOYSA-N	1	1	376.504	4.223	20	30		GIEDMO
C[C@H](NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)c1ccccc1Cl	ZINC000043182615	821375515	/nfs/dbraw/zinc/37/55/15/821375515.db2.gz	ZZQCBUKYAPJGQL-KRWDZBQOSA-N	1	1	396.922	4.190	20	30		GIEDMO
CSc1ccccc1NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000043318849	821391642	/nfs/dbraw/zinc/39/16/42/821391642.db2.gz	LDLCSSJWTJIVKR-UHFFFAOYSA-N	1	1	380.517	4.020	20	30		GIEDMO
CCc1cccc(CC)c1NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000043340642	821395250	/nfs/dbraw/zinc/39/52/50/821395250.db2.gz	FOTLMQJIYGVSMC-UHFFFAOYSA-N	1	1	390.531	4.423	20	30		GIEDMO
CSc1ccc(NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1	ZINC000043857180	821474278	/nfs/dbraw/zinc/47/42/78/821474278.db2.gz	PCYGZIIABGOWAA-UHFFFAOYSA-N	1	1	380.517	4.020	20	30		GIEDMO
N#Cc1cccc(OC2CC[NH+](Cc3ccc(C#N)cc3Br)CC2)c1	ZINC000181087507	821626568	/nfs/dbraw/zinc/62/65/68/821626568.db2.gz	JHMNCVVCMQUBLM-UHFFFAOYSA-N	1	1	396.288	4.236	20	30		GIEDMO
COc1cc(C)c([C@H](C)[NH2+]Cc2ccc(C#N)cc2Br)cc1OC	ZINC000181226456	821705688	/nfs/dbraw/zinc/70/56/88/821705688.db2.gz	MVAHCPMEXLWADG-ZDUSSCGKSA-N	1	1	389.293	4.497	20	30		GIEDMO
CCN(CC)[C@H](C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1ccccc1	ZINC000181388375	821800101	/nfs/dbraw/zinc/80/01/01/821800101.db2.gz	USFCNTBSNCECOP-RUZDIDTESA-N	1	1	390.575	4.195	20	30		GIEDMO
C=C(Cl)COc1ccc([C@H](C)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cc1	ZINC000181410668	821811314	/nfs/dbraw/zinc/81/13/14/821811314.db2.gz	MATLKZQTLWGIDB-WTOYTKOKSA-N	1	1	392.971	4.236	20	30		GIEDMO
N#Cc1ccc(C[NH+]2CCC(N[C@H](c3ccccc3)c3ccncc3)CC2)cc1	ZINC000181586801	821891055	/nfs/dbraw/zinc/89/10/55/821891055.db2.gz	PBIACMIBDSMPAO-RUZDIDTESA-N	1	1	382.511	4.297	20	30		GIEDMO
C[C@H]([NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1)c1cccc(F)c1F	ZINC000181978288	822051438	/nfs/dbraw/zinc/05/14/38/822051438.db2.gz	MIVCOPWWWDEDKC-ZDUSSCGKSA-N	1	1	377.822	4.216	20	30		GIEDMO
C=CCOc1c(Br)cc(C[N@H+](C)Cc2cccnc2)cc1OCC	ZINC000182027227	822066741	/nfs/dbraw/zinc/06/67/41/822066741.db2.gz	OYEOLHFFUUXPDV-UHFFFAOYSA-N	1	1	391.309	4.440	20	30		GIEDMO
C=CCOc1c(Br)cc(C[N@@H+](C)Cc2cccnc2)cc1OCC	ZINC000182027227	822066750	/nfs/dbraw/zinc/06/67/50/822066750.db2.gz	OYEOLHFFUUXPDV-UHFFFAOYSA-N	1	1	391.309	4.440	20	30		GIEDMO
C=C(C)Cn1c([C@@H]2CC[C@H](C)O2)nnc1N1CCC(C[N@H+](C)CCCC)CC1	ZINC000453473042	822372732	/nfs/dbraw/zinc/37/27/32/822372732.db2.gz	ZFEXLPPHBGPPIV-ICSRJNTNSA-N	1	1	389.588	4.043	20	30		GIEDMO
CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1cccc(C#N)c1C	ZINC000178550400	822390913	/nfs/dbraw/zinc/39/09/13/822390913.db2.gz	JZOMQADVQNJSCV-HXUWFJFHSA-N	1	1	376.504	4.243	20	30		GIEDMO
COc1ccc(CN[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1OCCCC#N	ZINC000183102927	822424654	/nfs/dbraw/zinc/42/46/54/822424654.db2.gz	AYADZMQCQKYCCV-UYAOXDASSA-N	1	1	385.552	4.120	20	30		GIEDMO
COc1ccc(CN[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1OCCCC#N	ZINC000183102927	822424655	/nfs/dbraw/zinc/42/46/55/822424655.db2.gz	AYADZMQCQKYCCV-UYAOXDASSA-N	1	1	385.552	4.120	20	30		GIEDMO
N#CCc1cccc(C(=O)N2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)c1	ZINC000179076531	822435877	/nfs/dbraw/zinc/43/58/77/822435877.db2.gz	CMDUANAEFMDYTR-UHFFFAOYSA-N	1	1	393.490	4.280	20	30		GIEDMO
CC[C@H](C#N)Oc1cc(C[NH2+][C@H](COC)c2ccc(F)c(F)c2)ccc1OC	ZINC000183257019	822449282	/nfs/dbraw/zinc/44/92/82/822449282.db2.gz	UPUJLACPAFDBOV-VQIMIIECSA-N	1	1	390.430	4.132	20	30		GIEDMO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@@H]3C[C@H]3c3cccc(Cl)c3)CC2)cc1	ZINC000454424531	822473337	/nfs/dbraw/zinc/47/33/37/822473337.db2.gz	NXGAAHRWURQXIC-FCHUYYIVSA-N	1	1	393.918	4.050	20	30		GIEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H]3C[C@H]3c3cccc(Cl)c3)CC2)cc1	ZINC000454424531	822473340	/nfs/dbraw/zinc/47/33/40/822473340.db2.gz	NXGAAHRWURQXIC-FCHUYYIVSA-N	1	1	393.918	4.050	20	30		GIEDMO
C[N@H+](CC(=O)N[C@H](c1cccs1)c1ccc(F)cc1)Cc1ccc(C#N)cc1	ZINC000046527878	822481326	/nfs/dbraw/zinc/48/13/26/822481326.db2.gz	BCMXMIGFBXVJLT-QFIPXVFZSA-N	1	1	393.487	4.096	20	30		GIEDMO
C[N@@H+](CC(=O)N[C@H](c1cccs1)c1ccc(F)cc1)Cc1ccc(C#N)cc1	ZINC000046527878	822481327	/nfs/dbraw/zinc/48/13/27/822481327.db2.gz	BCMXMIGFBXVJLT-QFIPXVFZSA-N	1	1	393.487	4.096	20	30		GIEDMO
Cc1nc(C(F)(F)F)c(CN2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)s1	ZINC000183561986	822495095	/nfs/dbraw/zinc/49/50/95/822495095.db2.gz	AUXCULXTOWCUNH-UHFFFAOYSA-N	1	1	394.466	4.050	20	30		GIEDMO
C#CCOc1ccc(C[N@H+](CC)CC(=O)Nc2ccccc2C(F)(F)F)cc1	ZINC000179605652	822511349	/nfs/dbraw/zinc/51/13/49/822511349.db2.gz	BOCQUYJLZXGMJT-UHFFFAOYSA-N	1	1	390.405	4.178	20	30		GIEDMO
C#CCOc1ccc(C[N@@H+](CC)CC(=O)Nc2ccccc2C(F)(F)F)cc1	ZINC000179605652	822511352	/nfs/dbraw/zinc/51/13/52/822511352.db2.gz	BOCQUYJLZXGMJT-UHFFFAOYSA-N	1	1	390.405	4.178	20	30		GIEDMO
COc1ccc(CN(C)Cc2[nH+]cc(C)c(OC)c2C)cc1OCCCC#N	ZINC000183781614	822527575	/nfs/dbraw/zinc/52/75/75/822527575.db2.gz	CLAVOEKLJPZLSV-UHFFFAOYSA-N	1	1	383.492	4.030	20	30		GIEDMO
COc1ccc(C[N@H+](C)Cc2ncc(C)c(OC)c2C)cc1OCCCC#N	ZINC000183781614	822527578	/nfs/dbraw/zinc/52/75/78/822527578.db2.gz	CLAVOEKLJPZLSV-UHFFFAOYSA-N	1	1	383.492	4.030	20	30		GIEDMO
COc1ccc(C[N@@H+](C)Cc2ncc(C)c(OC)c2C)cc1OCCCC#N	ZINC000183781614	822527581	/nfs/dbraw/zinc/52/75/81/822527581.db2.gz	CLAVOEKLJPZLSV-UHFFFAOYSA-N	1	1	383.492	4.030	20	30		GIEDMO
C[C@H](C#N)Oc1ccccc1NC(=O)Nc1ccccc1C[NH+]1CCSCC1	ZINC000183884288	822540447	/nfs/dbraw/zinc/54/04/47/822540447.db2.gz	USJNLMFMXQQZJX-MRXNPFEDSA-N	1	1	396.516	4.170	20	30		GIEDMO
CC[C@H]([NH2+][C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)c1cc(F)ccc1F	ZINC000179773073	822549814	/nfs/dbraw/zinc/54/98/14/822549814.db2.gz	WXJKDUPNJRFJKF-GTNSWQLSSA-N	1	1	389.471	4.455	20	30		GIEDMO
Cn1cc(C[N@H+](Cc2cccs2)C[C@H]2CCCO2)c(-c2ccc(C#N)cc2)n1	ZINC000179889400	822572147	/nfs/dbraw/zinc/57/21/47/822572147.db2.gz	XWLUGOWGLRNMKA-HXUWFJFHSA-N	1	1	392.528	4.201	20	30		GIEDMO
COc1cccc(F)c1[C@@H](C)[NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1	ZINC000179917357	822576679	/nfs/dbraw/zinc/57/66/79/822576679.db2.gz	QQHMDLWRROESOU-CQSZACIVSA-N	1	1	389.858	4.085	20	30		GIEDMO
Cn1cc(C[N@H+](Cc2ccccc2)C[C@H]2CCCO2)c(-c2ccc(C#N)cc2)n1	ZINC000179977762	822589201	/nfs/dbraw/zinc/58/92/01/822589201.db2.gz	DEDNABSTYMOAGV-HSZRJFAPSA-N	1	1	386.499	4.140	20	30		GIEDMO
CC[NH+](CC)[C@H](CNCc1cn(C)nc1-c1ccc(C#N)cc1)c1ccccc1	ZINC000180027157	822599816	/nfs/dbraw/zinc/59/98/16/822599816.db2.gz	ZAZXTDOHGSPBFD-HSZRJFAPSA-N	1	1	387.531	4.131	20	30		GIEDMO
C=CCC[C@@H]([NH2+]Cc1nnnn1-c1ccc(OC(F)F)cc1)c1ccccc1	ZINC000180050137	822604436	/nfs/dbraw/zinc/60/44/36/822604436.db2.gz	XSMLWCCHORCOQL-GOSISDBHSA-N	1	1	385.418	4.061	20	30		GIEDMO
Cc1[nH+]ccn1C[C@H](C)CNC(=O)c1ccccc1Sc1ccccc1C#N	ZINC000047937969	822621150	/nfs/dbraw/zinc/62/11/50/822621150.db2.gz	NJRGNLZYJWUETH-MRXNPFEDSA-N	1	1	390.512	4.281	20	30		GIEDMO
Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+](C2CC2)C2CCCCC2)c1C#N	ZINC000048008928	822624985	/nfs/dbraw/zinc/62/49/85/822624985.db2.gz	ZBAGSBLRKMXKAB-UHFFFAOYSA-N	1	1	394.519	4.354	20	30		GIEDMO
Cn1cc(C[N@H+]2CCC[C@H]2C[C@H](O)c2cccs2)c(-c2ccc(C#N)cc2)n1	ZINC000180257809	822649594	/nfs/dbraw/zinc/64/95/94/822649594.db2.gz	YSNBMQHZGXMELJ-PMACEKPBSA-N	1	1	392.528	4.108	20	30		GIEDMO
C[C@H]([NH2+]CC(=O)N(CCC#N)c1ccccc1)c1nc(-c2ccccc2)cs1	ZINC000184527905	822651533	/nfs/dbraw/zinc/65/15/33/822651533.db2.gz	SIJBVTOJRVDROX-KRWDZBQOSA-N	1	1	390.512	4.408	20	30		GIEDMO
C[C@H](NC(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)c1ccc(C#N)cc1	ZINC000048828061	822684965	/nfs/dbraw/zinc/68/49/65/822684965.db2.gz	IOZLEJBWCKCSDM-MOPGFXCFSA-N	1	1	390.531	4.351	20	30		GIEDMO
C[C@@H]1C[C@@H](N(C)C(=O)Nc2cnc(C#N)c(Cl)c2)CC[N@H+]1Cc1ccccc1	ZINC000455777264	822724777	/nfs/dbraw/zinc/72/47/77/822724777.db2.gz	GBSGDXYOWITUTL-QAPCUYQASA-N	1	1	397.910	4.123	20	30		GIEDMO
C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)Nc1cccc(CC#N)c1	ZINC000455914324	822748163	/nfs/dbraw/zinc/74/81/63/822748163.db2.gz	GCOYJTNOFHOKGJ-GOSISDBHSA-N	1	1	376.504	4.449	20	30		GIEDMO
C[C@@H](NC(=O)C(C)(C)Cc1ccc(C#N)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000456001145	822764810	/nfs/dbraw/zinc/76/48/10/822764810.db2.gz	UPSNJFAMDLRCAT-AUSIDOKSSA-N	1	1	389.543	4.154	20	30		GIEDMO
C=CCSc1ccccc1NC(=O)CN[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1	ZINC000185720487	822814266	/nfs/dbraw/zinc/81/42/66/822814266.db2.gz	GTZBUOFMEKBQOA-ROUUACIJSA-N	1	1	387.593	4.146	20	30		GIEDMO
COc1cc(C[N@H+](Cc2ccc(C#N)cc2F)C2CC2)ccc1OC(F)F	ZINC000053906628	822852518	/nfs/dbraw/zinc/85/25/18/822852518.db2.gz	NUJOWZYUXIPDSX-UHFFFAOYSA-N	1	1	376.378	4.472	20	30		GIEDMO
COc1cc(C[N@@H+](Cc2ccc(C#N)cc2F)C2CC2)ccc1OC(F)F	ZINC000053906628	822852521	/nfs/dbraw/zinc/85/25/21/822852521.db2.gz	NUJOWZYUXIPDSX-UHFFFAOYSA-N	1	1	376.378	4.472	20	30		GIEDMO
CC[N@@H+](CC(=O)N(C)Cc1ccc(SC)cc1)[C@@H](C)c1ccc(C#N)cc1	ZINC000054340259	822876905	/nfs/dbraw/zinc/87/69/05/822876905.db2.gz	QEZRZKXUZWGWFG-KRWDZBQOSA-N	1	1	381.545	4.322	20	30		GIEDMO
CC[N@@H+](CC(=O)N(C)Cc1ccc(Cl)s1)[C@H](C)c1ccc(C#N)cc1	ZINC000054340535	822877137	/nfs/dbraw/zinc/87/71/37/822877137.db2.gz	OVOGOBQMDMHZMS-CQSZACIVSA-N	1	1	375.925	4.315	20	30		GIEDMO
N#CCCn1cc(C[NH2+]Cc2c(Cl)cccc2Cl)c(-c2ccncc2)n1	ZINC000569307073	822905179	/nfs/dbraw/zinc/90/51/79/822905179.db2.gz	CYMSUFSKSKWRKI-UHFFFAOYSA-N	1	1	386.286	4.455	20	30		GIEDMO
C=CCn1c(-c2cccnc2)nn(C[N@H+]2CC[C@@H](c3ccccc3)[C@@H]2C)c1=S	ZINC000175269600	822920303	/nfs/dbraw/zinc/92/03/03/822920303.db2.gz	YBCKZIHZEDXRTD-FXAWDEMLSA-N	1	1	391.544	4.498	20	30		GIEDMO
C=CCn1c(-c2cccnc2)nn(C[N@@H+]2CC[C@@H](c3ccccc3)[C@@H]2C)c1=S	ZINC000175269600	822920307	/nfs/dbraw/zinc/92/03/07/822920307.db2.gz	YBCKZIHZEDXRTD-FXAWDEMLSA-N	1	1	391.544	4.498	20	30		GIEDMO
CCOC(=O)C1CCC([N@@H+](CC)Cc2ccc(Br)cc2C#N)CC1	ZINC000570068538	823002781	/nfs/dbraw/zinc/00/27/81/823002781.db2.gz	CLZLHYCMBAGSSG-UHFFFAOYSA-N	1	1	393.325	4.265	20	30		GIEDMO
N#Cc1ccc(C[N@H+]2CCC[C@@H](c3nc4c(s3)CCCC4)C2)c([N+](=O)[O-])c1	ZINC000570399844	823032966	/nfs/dbraw/zinc/03/29/66/823032966.db2.gz	MVJVOUFIBMSILQ-MRXNPFEDSA-N	1	1	382.489	4.181	20	30		GIEDMO
C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1	ZINC000190196964	823549616	/nfs/dbraw/zinc/54/96/16/823549616.db2.gz	NZWMTCWRRKHBGD-WBVHZDCISA-N	1	1	381.442	4.232	20	30		GIEDMO
C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1	ZINC000190196964	823549618	/nfs/dbraw/zinc/54/96/18/823549618.db2.gz	NZWMTCWRRKHBGD-WBVHZDCISA-N	1	1	381.442	4.232	20	30		GIEDMO
C=CC[N@H+](Cc1cccc(C#N)c1)[C@@H](C)C(=O)N1CCC[C@@H]1c1cccs1	ZINC000411194239	823556142	/nfs/dbraw/zinc/55/61/42/823556142.db2.gz	PTAJJZLQSYDNFB-FXAWDEMLSA-N	1	1	379.529	4.360	20	30		GIEDMO
C=CC[N@@H+](Cc1cccc(C#N)c1)[C@@H](C)C(=O)N1CCC[C@@H]1c1cccs1	ZINC000411194239	823556146	/nfs/dbraw/zinc/55/61/46/823556146.db2.gz	PTAJJZLQSYDNFB-FXAWDEMLSA-N	1	1	379.529	4.360	20	30		GIEDMO
C[C@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cc(Cl)ccc1Cl	ZINC000190609555	823591239	/nfs/dbraw/zinc/59/12/39/823591239.db2.gz	GKUKVITZAZCJIR-DJJJIMSYSA-N	1	1	388.298	4.317	20	30		GIEDMO
CSc1ccccc1OC[C@H](O)C[N@@H+](Cc1ccc(C#N)cc1F)C(C)C	ZINC000411988199	823618459	/nfs/dbraw/zinc/61/84/59/823618459.db2.gz	RTOJTUOOXNXKQR-GOSISDBHSA-N	1	1	388.508	4.070	20	30		GIEDMO
C=CC[N@H+](Cc1ccc(C(=O)N2CCCC2)cc1)Cc1cccc([N+](=O)[O-])c1	ZINC000063288160	823660162	/nfs/dbraw/zinc/66/01/62/823660162.db2.gz	YPVOAEKWQLVOFF-UHFFFAOYSA-N	1	1	379.460	4.019	20	30		GIEDMO
C=CC[N@@H+](Cc1ccc(C(=O)N2CCCC2)cc1)Cc1cccc([N+](=O)[O-])c1	ZINC000063288160	823660166	/nfs/dbraw/zinc/66/01/66/823660166.db2.gz	YPVOAEKWQLVOFF-UHFFFAOYSA-N	1	1	379.460	4.019	20	30		GIEDMO
CC1([C@@H]2CCC[N@@H+](CCC(C#N)(c3ccccc3)c3ccccc3)C2)OCCO1	ZINC000191611125	823712287	/nfs/dbraw/zinc/71/22/87/823712287.db2.gz	GWKBIUOMDYBUCC-HSZRJFAPSA-N	1	1	390.527	4.361	20	30		GIEDMO
C=CCn1c(C2CCC2)nnc1N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2	ZINC000574488495	823745467	/nfs/dbraw/zinc/74/54/67/823745467.db2.gz	YPTYQZKQFFQEOP-DEOSSOPVSA-N	1	1	391.563	4.224	20	30		GIEDMO
N#Cc1ccc(Cl)c(C(=O)NC[C@H]([NH2+]Cc2ccccc2)c2ccco2)c1	ZINC000574554090	823764411	/nfs/dbraw/zinc/76/44/11/823764411.db2.gz	XQUOGJZNDAQVHO-IBGZPJMESA-N	1	1	379.847	4.066	20	30		GIEDMO
COc1ccc(C[N@H+]2CC[C@]3(C2)CCc2ccccc2O3)cc1OCCCC#N	ZINC000574562702	823767525	/nfs/dbraw/zinc/76/75/25/823767525.db2.gz	CNPSAAACARBCRA-DEOSSOPVSA-N	1	1	392.499	4.347	20	30		GIEDMO
C[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1cccc(C#N)c1	ZINC000462122509	823836095	/nfs/dbraw/zinc/83/60/95/823836095.db2.gz	KQXVGOWOLNQVSC-SELNLUPBSA-N	1	1	375.516	4.173	20	30		GIEDMO
C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N(CCC#N)Cc2ccco2)c1	ZINC000170627408	823921403	/nfs/dbraw/zinc/92/14/03/823921403.db2.gz	XSHABSKFNFTKHE-UHFFFAOYSA-N	1	1	387.483	4.468	20	30		GIEDMO
COc1ccc(-n2ccc(C[NH2+]Cc3ccc(C#N)cc3C(F)(F)F)n2)cc1	ZINC000575910072	824026950	/nfs/dbraw/zinc/02/69/50/824026950.db2.gz	FUQWBRILWOJFDG-UHFFFAOYSA-N	1	1	386.377	4.061	20	30		GIEDMO
N#Cc1ccccc1N1CCC[N@H+](Cc2csc(-c3ccsc3)n2)CC1	ZINC000071952226	222199806	/nfs/dbraw/zinc/19/98/06/222199806.db2.gz	IJZPVQRWFLIFAK-UHFFFAOYSA-N	1	1	380.542	4.456	20	30		GIEDMO
N#Cc1ccccc1N1CCC[N@@H+](Cc2csc(-c3ccsc3)n2)CC1	ZINC000071952226	222199810	/nfs/dbraw/zinc/19/98/10/222199810.db2.gz	IJZPVQRWFLIFAK-UHFFFAOYSA-N	1	1	380.542	4.456	20	30		GIEDMO
C[C@@H]1CN(C(F)(F)c2cnc(Cl)c(-c3ccc(C#N)cc3)c2)[C@@H](C)C[N@@H+]1C	ZINC001164638436	719257644	/nfs/dbraw/zinc/25/76/44/719257644.db2.gz	YZKAUBDCCRLLTF-KGLIPLIRSA-N	1	1	390.865	4.347	20	30		GIEDMO
C[C@@H]1CN(C(F)(F)c2cnc(Cl)c(-c3ccc(C#N)cc3)c2)[C@@H](C)C[N@H+]1C	ZINC001164638436	719257647	/nfs/dbraw/zinc/25/76/47/719257647.db2.gz	YZKAUBDCCRLLTF-KGLIPLIRSA-N	1	1	390.865	4.347	20	30		GIEDMO
Cc1nc(C[N@H+]2CCCC23CCN(c2nccc(Cl)c2C#N)CC3)cs1	ZINC001164691791	719806078	/nfs/dbraw/zinc/80/60/78/719806078.db2.gz	KCHBJRMKWBIHER-UHFFFAOYSA-N	1	1	387.940	4.007	20	30		GIEDMO
C=CCOC[C@@H]1CCC[C@]12CN(c1ccc([C@H]3CCCC[N@@H+]3CC)cn1)CCO2	ZINC001164980238	722169841	/nfs/dbraw/zinc/16/98/41/722169841.db2.gz	XJANFGUWAHRNDA-ZDXQCDESSA-N	1	1	399.579	4.207	20	30		GIEDMO
C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)c1c(F)cc(C#N)cc1F	ZINC000120793328	823065352	/nfs/dbraw/zinc/06/53/52/823065352.db2.gz	VIIYYSYFYQHOOF-OAHLLOKOSA-N	1	1	383.442	4.141	20	30		GIEDMO
N#CCc1ccc(OC[C@@H](O)C[N@H+]2CCCC[C@H]2c2cc3ccccc3[nH]2)cc1	ZINC000121022139	823104475	/nfs/dbraw/zinc/10/44/75/823104475.db2.gz	XFIDLTMLXMNAEW-RDPSFJRHSA-N	1	1	389.499	4.201	20	30		GIEDMO
CC1(C)CN(C(=O)c2cccc(SCC#N)c2)CC[N@@H+]1Cc1ccccc1	ZINC000176044893	823105316	/nfs/dbraw/zinc/10/53/16/823105316.db2.gz	MEGKDIAMSZLUMB-UHFFFAOYSA-N	1	1	379.529	4.039	20	30		GIEDMO
CC1(C)CN(C(=O)c2cccc(SCC#N)c2)CC[N@H+]1Cc1ccccc1	ZINC000176044893	823105322	/nfs/dbraw/zinc/10/53/22/823105322.db2.gz	MEGKDIAMSZLUMB-UHFFFAOYSA-N	1	1	379.529	4.039	20	30		GIEDMO
CN(C(=O)c1cccc(SCC#N)c1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1	ZINC000176058051	823109154	/nfs/dbraw/zinc/10/91/54/823109154.db2.gz	QNNMVJVZVWUUAZ-FQEVSTJZSA-N	1	1	379.529	4.039	20	30		GIEDMO
C=C(C)[C@@H]([NH2+]CC(=O)NCc1ccccc1COCC)c1ccc(F)c(F)c1	ZINC000187760341	823127549	/nfs/dbraw/zinc/12/75/49/823127549.db2.gz	WSUUFVZFSFOZNH-JOCHJYFZSA-N	1	1	388.458	4.025	20	30		GIEDMO
C=CCOc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1OC	ZINC000176137212	823132849	/nfs/dbraw/zinc/13/28/49/823132849.db2.gz	RDPLGAKRGIIIQH-GHTZIAJQSA-N	1	1	394.515	4.043	20	30		GIEDMO
C=C(C)[C@@H]([NH2+][C@H](C)C(=O)N1CCc2sccc2C1)c1ccc(F)c(F)c1	ZINC000187792873	823134170	/nfs/dbraw/zinc/13/41/70/823134170.db2.gz	HYROCTZNJIJSCJ-BFUOFWGJSA-N	1	1	376.472	4.207	20	30		GIEDMO
C=CCn1c(-c2ccccc2OC)nn(C[NH+]2C[C@@H]3CCCC[C@H]3C2)c1=S	ZINC000176193205	823149629	/nfs/dbraw/zinc/14/96/29/823149629.db2.gz	FXBTUZNEGCSTFY-IRXDYDNUSA-N	1	1	384.549	4.355	20	30		GIEDMO
COC[C@H](Cc1ccccc1)[N@@H+](C)Cc1cn(CCC#N)nc1-c1ccccc1	ZINC000187991969	823168365	/nfs/dbraw/zinc/16/83/65/823168365.db2.gz	XKJMEVGNEPJEIM-QHCPKHFHSA-N	1	1	388.515	4.153	20	30		GIEDMO
C[C@]1(Cc2cccc(F)c2)CCC[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1	ZINC000571674887	823217398	/nfs/dbraw/zinc/21/73/98/823217398.db2.gz	HEGJMAQWZYXJNY-JOCHJYFZSA-N	1	1	376.435	4.345	20	30		GIEDMO
Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@H](C)c2nc3c(s2)CCC3)c1	ZINC000459633246	823233836	/nfs/dbraw/zinc/23/38/36/823233836.db2.gz	LJJXKUYQJSCVKY-SJORKVTESA-N	1	1	396.560	4.235	20	30		GIEDMO
C=CC[C@@H](C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)c1ccccc1	ZINC000188460208	823243804	/nfs/dbraw/zinc/24/38/04/823243804.db2.gz	LVCKXBLZJJRFKO-HXUWFJFHSA-N	1	1	384.470	4.405	20	30		GIEDMO
CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1)c1ccc(C(F)(F)F)c(C#N)n1	ZINC000409657008	823275535	/nfs/dbraw/zinc/27/55/35/823275535.db2.gz	MMLZBAQCUPDHJF-STQMWFEESA-N	1	1	398.429	4.082	20	30		GIEDMO
CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1)c1ccc(C(F)(F)F)c(C#N)n1	ZINC000409657008	823275538	/nfs/dbraw/zinc/27/55/38/823275538.db2.gz	MMLZBAQCUPDHJF-STQMWFEESA-N	1	1	398.429	4.082	20	30		GIEDMO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3c(Cl)cccc3Cl)CC2)cc1	ZINC000121993858	823290032	/nfs/dbraw/zinc/29/00/32/823290032.db2.gz	BPPJRIRMBCFJBB-UHFFFAOYSA-N	1	1	388.298	4.213	20	30		GIEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3c(Cl)cccc3Cl)CC2)cc1	ZINC000121993858	823290033	/nfs/dbraw/zinc/29/00/33/823290033.db2.gz	BPPJRIRMBCFJBB-UHFFFAOYSA-N	1	1	388.298	4.213	20	30		GIEDMO
N#CC[C@@H](CC(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1ccccc1	ZINC000572174260	823294702	/nfs/dbraw/zinc/29/47/02/823294702.db2.gz	HRPXXZKVNBCEDH-UPVQGACJSA-N	1	1	389.543	4.492	20	30		GIEDMO
C[N@H+](CC(=O)Nc1ccccc1SCC#N)Cc1ccc(C(F)(F)F)cc1	ZINC000008092396	817998934	/nfs/dbraw/zinc/99/89/34/817998934.db2.gz	QMFZIIZEEAJCBG-UHFFFAOYSA-N	1	1	393.434	4.392	20	30		GIEDMO
C[N@@H+](CC(=O)Nc1ccccc1SCC#N)Cc1ccc(C(F)(F)F)cc1	ZINC000008092396	817998938	/nfs/dbraw/zinc/99/89/38/817998938.db2.gz	QMFZIIZEEAJCBG-UHFFFAOYSA-N	1	1	393.434	4.392	20	30		GIEDMO
N#Cc1ccsc1NC(=O)CC[N@H+]1CCC[C@@H](c2nc3ccccc3s2)C1	ZINC000008261581	818025300	/nfs/dbraw/zinc/02/53/00/818025300.db2.gz	GUMZUPQBLXGXNX-OAHLLOKOSA-N	1	1	396.541	4.438	20	30		GIEDMO
C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1	ZINC000008261368	818025717	/nfs/dbraw/zinc/02/57/17/818025717.db2.gz	XLYMSFGMBWOQJA-WBVHZDCISA-N	1	1	390.512	4.375	20	30		GIEDMO
C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1	ZINC000008261368	818025719	/nfs/dbraw/zinc/02/57/19/818025719.db2.gz	XLYMSFGMBWOQJA-WBVHZDCISA-N	1	1	390.512	4.375	20	30		GIEDMO
C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)Cc1cccc(F)c1	ZINC000016585291	818455870	/nfs/dbraw/zinc/45/58/70/818455870.db2.gz	RBKYVHIZCBWVDG-UHFFFAOYSA-N	1	1	385.508	4.488	20	30		GIEDMO
CC[N@@H+]1CCc2nc(NC(=O)c3ccc(C#Cc4ccccc4)cc3)sc2C1	ZINC000021296684	818672479	/nfs/dbraw/zinc/67/24/79/818672479.db2.gz	NBLPZZOSYJYJGZ-UHFFFAOYSA-N	1	1	387.508	4.173	20	30		GIEDMO
CC[N@H+]1CCc2nc(NC(=O)c3ccc(C#Cc4ccccc4)cc3)sc2C1	ZINC000021296684	818672482	/nfs/dbraw/zinc/67/24/82/818672482.db2.gz	NBLPZZOSYJYJGZ-UHFFFAOYSA-N	1	1	387.508	4.173	20	30		GIEDMO
CC(C)c1ccc(C[N@@H+](C[C@H](O)COc2ccc(CC#N)cc2)C2CC2)cc1	ZINC000024101435	819024144	/nfs/dbraw/zinc/02/41/44/819024144.db2.gz	NFGSKGACWPZMDT-QHCPKHFHSA-N	1	1	378.516	4.280	20	30		GIEDMO
C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	ZINC000177149993	823383442	/nfs/dbraw/zinc/38/34/42/823383442.db2.gz	CNSPFWWLXICGCY-QFBILLFUSA-N	1	1	376.460	4.051	20	30		GIEDMO
C[C@H](c1ncc(-c2ccccc2)o1)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000122633879	823385301	/nfs/dbraw/zinc/38/53/01/823385301.db2.gz	VMOBQDKTYMEHAH-LJQANCHMSA-N	1	1	386.499	4.482	20	30		GIEDMO
C[C@H](c1ncc(-c2ccccc2)o1)[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1	ZINC000122633879	823385315	/nfs/dbraw/zinc/38/53/15/823385315.db2.gz	VMOBQDKTYMEHAH-LJQANCHMSA-N	1	1	386.499	4.482	20	30		GIEDMO
C[C@H](c1ncc(-c2ccccc2)o1)[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1	ZINC000122633879	823385321	/nfs/dbraw/zinc/38/53/21/823385321.db2.gz	VMOBQDKTYMEHAH-LJQANCHMSA-N	1	1	386.499	4.482	20	30		GIEDMO
C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)Nc2ccc(CC#N)cc2)cc1	ZINC000058535522	823405550	/nfs/dbraw/zinc/40/55/50/823405550.db2.gz	NSJBVNLRHFOMKE-GOSISDBHSA-N	1	1	376.504	4.449	20	30		GIEDMO
C=C(C)Cn1c(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)nnc1C(C)(C)C	ZINC000460566836	823435740	/nfs/dbraw/zinc/43/57/40/823435740.db2.gz	ULMBDUPUNBDCJA-UHFFFAOYSA-N	1	1	385.531	4.003	20	30		GIEDMO
C=CCn1c(-c2cc(Cl)ccc2Cl)nnc1N(C)[C@H]1CC[N@H+](C2CC2)C1	ZINC000573409867	823489765	/nfs/dbraw/zinc/48/97/65/823489765.db2.gz	ZDLQPGZXYYKACY-HNNXBMFYSA-N	1	1	392.334	4.111	20	30		GIEDMO
C=CCOc1ccc(C(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)cc1	ZINC000059855312	823500654	/nfs/dbraw/zinc/50/06/54/823500654.db2.gz	SAZQYMIVXBDEAP-UHFFFAOYSA-N	1	1	384.907	4.253	20	30		GIEDMO
C=CCOc1ccc(C(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)cc1	ZINC000059855312	823500658	/nfs/dbraw/zinc/50/06/58/823500658.db2.gz	SAZQYMIVXBDEAP-UHFFFAOYSA-N	1	1	384.907	4.253	20	30		GIEDMO
C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(C)(C)Cc1ccc(C#N)cc1	ZINC000410545206	823503278	/nfs/dbraw/zinc/50/32/78/823503278.db2.gz	JUNUMUUHYOYJPR-CVDCTZTESA-N	1	1	389.543	4.154	20	30		GIEDMO
Cc1ccc([C@H]([NH2+]Cc2cc(C#N)cs2)c2cccc(S(C)(=O)=O)c2)cc1	ZINC000177707629	823515197	/nfs/dbraw/zinc/51/51/97/823515197.db2.gz	MEMNOTVUKIZAGB-NRFANRHFSA-N	1	1	396.537	4.211	20	30		GIEDMO
CCCN(C(=O)Nc1cccc(C#N)c1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1	ZINC000060348993	823518063	/nfs/dbraw/zinc/51/80/63/823518063.db2.gz	NLQMBSGVSJUDRT-QFIPXVFZSA-N	1	1	376.504	4.467	20	30		GIEDMO
CCCOc1ccc(CNC(=O)C[N@@H+](CC)[C@H](C)c2ccc(C#N)cc2)cc1	ZINC000060469460	823531704	/nfs/dbraw/zinc/53/17/04/823531704.db2.gz	ONSFEWDZKSGJRE-GOSISDBHSA-N	1	1	379.504	4.046	20	30		GIEDMO
N#Cc1ccc(C[NH+]2CCC(C(=O)Nc3ccccc3)CC2)c(Br)c1	ZINC000180916154	821536007	/nfs/dbraw/zinc/53/60/07/821536007.db2.gz	FEBIYZPABQZGSD-UHFFFAOYSA-N	1	1	398.304	4.171	20	30		GIEDMO
C[C@@H](NCC1([NH2+][C@H](C)c2ccccc2)CCOCC1)c1ccc(OCC#N)cc1	ZINC000181783966	821990931	/nfs/dbraw/zinc/99/09/31/821990931.db2.gz	MJHUAPVDEMQVMS-WOJBJXKFSA-N	1	1	393.531	4.140	20	30		GIEDMO
CCc1cc(NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)ccc1C	ZINC000182004853	822059855	/nfs/dbraw/zinc/05/98/55/822059855.db2.gz	KOZPNGOQJJLSTM-UHFFFAOYSA-N	1	1	376.504	4.169	20	30		GIEDMO
C=C(C)Cn1c(-c2cc(C)oc2C)nnc1N1CC[N@H+](C2CCC2)C[C@@H](C)C1	ZINC000453447275	822364352	/nfs/dbraw/zinc/36/43/52/822364352.db2.gz	ABVUNMWKVVCZPR-MRXNPFEDSA-N	1	1	383.540	4.042	20	30		GIEDMO
C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1	ZINC000182914763	822391775	/nfs/dbraw/zinc/39/17/75/822391775.db2.gz	ISUWAJWCFWHFQW-QUCCMNQESA-N	1	1	385.552	4.046	20	30		GIEDMO
C[NH+](C)[C@@H](CNC(=O)N[C@H](CCC#N)c1ccccc1)c1ccccc1Cl	ZINC000178710152	822404658	/nfs/dbraw/zinc/40/46/58/822404658.db2.gz	NIIRLSYKXMHFPL-UXHICEINSA-N	1	1	384.911	4.287	20	30		GIEDMO
C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N(C)Cc2cccc(C#N)c2)C1	ZINC000045789352	822413998	/nfs/dbraw/zinc/41/39/98/822413998.db2.gz	BMQCUNGLYUEXOK-LJQANCHMSA-N	1	1	390.531	4.132	20	30		GIEDMO
COc1ccc(C[N@H+]2CC[C@@H](Oc3cccc(F)c3)C2)cc1OCCCC#N	ZINC000183211051	822442407	/nfs/dbraw/zinc/44/24/07/822442407.db2.gz	MRGXSVPPAOCPIU-HXUWFJFHSA-N	1	1	384.451	4.170	20	30		GIEDMO
C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH2+][C@H](c1nc(C)cs1)C1CC1	ZINC000183512831	822488400	/nfs/dbraw/zinc/48/84/00/822488400.db2.gz	GDAZGSHJLLHOCN-PBHICJAKSA-N	1	1	375.563	4.157	20	30		GIEDMO
N#Cc1ccccc1-c1ccc(C[NH2+][C@H](C(=O)NC2CC2)c2ccccc2)cc1	ZINC000179673181	822524221	/nfs/dbraw/zinc/52/42/21/822524221.db2.gz	HQYRLZJDPLHORZ-DEOSSOPVSA-N	1	1	381.479	4.335	20	30		GIEDMO
N#Cc1ccccc1-c1ccc(C[NH2+][C@@H](C(=O)NC2CC2)c2ccc(F)cc2)cc1	ZINC000179673240	822524230	/nfs/dbraw/zinc/52/42/30/822524230.db2.gz	QMWMMRHSJZHODC-XMMPIXPASA-N	1	1	399.469	4.474	20	30		GIEDMO
N#Cc1ccccc1-c1ccc(C[NH2+][C@@H](C(=O)NC2CC2)c2ccccc2)cc1	ZINC000179673193	822524278	/nfs/dbraw/zinc/52/42/78/822524278.db2.gz	HQYRLZJDPLHORZ-XMMPIXPASA-N	1	1	381.479	4.335	20	30		GIEDMO
COc1cc(C[NH2+]C[C@H](C)C#N)ccc1OCc1ccc(Br)cc1	ZINC000183819640	822531538	/nfs/dbraw/zinc/53/15/38/822531538.db2.gz	RFJRZBMJQJVUOJ-CQSZACIVSA-N	1	1	389.293	4.286	20	30		GIEDMO
Cc1cnc(C(C)(C)[NH2+][C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)s1	ZINC000183967125	822555246	/nfs/dbraw/zinc/55/52/46/822555246.db2.gz	RDGPOJFTLVSBTM-KRWDZBQOSA-N	1	1	384.549	4.228	20	30		GIEDMO
Cc1cnc(C(C)(C)[NH2+]CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)s1	ZINC000183979125	822557407	/nfs/dbraw/zinc/55/74/07/822557407.db2.gz	CLCFEZGQEJMPEX-UHFFFAOYSA-N	1	1	390.940	4.185	20	30		GIEDMO
N#Cc1ccsc1NC(=O)CC[N@@H+]1CC=C(c2c[nH]c3cc(F)ccc32)CC1	ZINC000047274027	822560952	/nfs/dbraw/zinc/56/09/52/822560952.db2.gz	JTCBYSGXHYFQMG-UHFFFAOYSA-N	1	1	394.475	4.358	20	30		GIEDMO
Cc1cc(N(CCC#N)C(=O)C[N@@H+](C)C[C@H](C)c2nccs2)ccc1Cl	ZINC000184020600	822565609	/nfs/dbraw/zinc/56/56/09/822565609.db2.gz	UUMKJFNZJKYRFY-HNNXBMFYSA-N	1	1	390.940	4.087	20	30		GIEDMO
Cc1cc(N(CCC#N)C(=O)C[N@H+](C)C[C@H](C)c2nccs2)ccc1Cl	ZINC000184020600	822565611	/nfs/dbraw/zinc/56/56/11/822565611.db2.gz	UUMKJFNZJKYRFY-HNNXBMFYSA-N	1	1	390.940	4.087	20	30		GIEDMO
CCOc1cc(C[NH2+][C@@H](CC)CC#N)cc(Br)c1OC(F)F	ZINC000184091349	822576517	/nfs/dbraw/zinc/57/65/17/822576517.db2.gz	KABRJWSYBAKGSW-NSHDSACASA-N	1	1	377.229	4.231	20	30		GIEDMO
CC(C)[N@@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)Cc1ccc([N+](=O)[O-])cc1	ZINC000179933683	822579969	/nfs/dbraw/zinc/57/99/69/822579969.db2.gz	AUCYQJDUWIVCOP-UHFFFAOYSA-N	1	1	389.459	4.278	20	30		GIEDMO
Cc1ccccc1C[NH+]1CCC(NCc2cn(C)nc2-c2ccc(C#N)cc2)CC1	ZINC000180057268	822605603	/nfs/dbraw/zinc/60/56/03/822605603.db2.gz	CFYRXXRPJIJRRX-UHFFFAOYSA-N	1	1	399.542	4.021	20	30		GIEDMO
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)CC[N@@H+](C)C1CC1	ZINC000184282770	822608193	/nfs/dbraw/zinc/60/81/93/822608193.db2.gz	MWCAAGCGIUCIOA-UHFFFAOYSA-N	1	1	392.503	4.004	20	30		GIEDMO
Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)Nc2ccccc2O[C@@H](C)C#N)cc1	ZINC000184347889	822619779	/nfs/dbraw/zinc/61/97/79/822619779.db2.gz	SLUDZTFIHZNDGM-HOTGVXAUSA-N	1	1	389.459	4.354	20	30		GIEDMO
Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)Nc2ccccc2O[C@H](C)C#N)cc1	ZINC000184347921	822620020	/nfs/dbraw/zinc/62/00/20/822620020.db2.gz	SLUDZTFIHZNDGM-CVEARBPZSA-N	1	1	389.459	4.354	20	30		GIEDMO
CC[C@H](C#N)Oc1cc(C[NH2+][C@H](C)c2nc3ccccc3n2C)ccc1OC	ZINC000180175348	822632591	/nfs/dbraw/zinc/63/25/91/822632591.db2.gz	WMSAMKYBWPMVNH-NVXWUHKLSA-N	1	1	378.476	4.114	20	30		GIEDMO
Cn1cc(C[N@H+]2CC[C@@H](Oc3ccccc3Cl)C2)c(-c2ccc(C#N)cc2)n1	ZINC000180241254	822646609	/nfs/dbraw/zinc/64/66/09/822646609.db2.gz	FRUOSJVHRXQGEF-LJQANCHMSA-N	1	1	392.890	4.265	20	30		GIEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Nc3ccc(Cl)c(F)c3)CC2)cc1	ZINC000048478383	822666283	/nfs/dbraw/zinc/66/62/83/822666283.db2.gz	AKXRXUUMAJSTRI-UHFFFAOYSA-N	1	1	386.858	4.091	20	30		GIEDMO
C[N@@H+]1CC[C@H](NC(=O)c2ccc(C3(C#N)CC3)cc2)[C@@H]1c1ccc(Cl)cc1	ZINC000180567824	822703814	/nfs/dbraw/zinc/70/38/14/822703814.db2.gz	MKGBYRHWDCDQBV-PMACEKPBSA-N	1	1	379.891	4.070	20	30		GIEDMO
C[N@H+]1CC[C@H](NC(=O)c2ccc(C3(C#N)CC3)cc2)[C@@H]1c1ccc(Cl)cc1	ZINC000180567824	822703818	/nfs/dbraw/zinc/70/38/18/822703818.db2.gz	MKGBYRHWDCDQBV-PMACEKPBSA-N	1	1	379.891	4.070	20	30		GIEDMO
C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Nc1ccc(CC#N)cc1Cl	ZINC000455697248	822705300	/nfs/dbraw/zinc/70/53/00/822705300.db2.gz	DLORAYGISPBPTE-JXFKEZNVSA-N	1	1	396.922	4.438	20	30		GIEDMO
C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)Nc2ccc(CC#N)cc2Cl)C1	ZINC000455704669	822707643	/nfs/dbraw/zinc/70/76/43/822707643.db2.gz	NWBGWHLMVAKASU-MAUKXSAKSA-N	1	1	382.895	4.363	20	30		GIEDMO
C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)Nc1ccc(CC#N)cc1Cl	ZINC000455706373	822708344	/nfs/dbraw/zinc/70/83/44/822708344.db2.gz	PSORODBJGSWTNP-INIZCTEOSA-N	1	1	382.895	4.144	20	30		GIEDMO
C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)Nc1ccc(CC#N)cc1Cl	ZINC000455706373	822708346	/nfs/dbraw/zinc/70/83/46/822708346.db2.gz	PSORODBJGSWTNP-INIZCTEOSA-N	1	1	382.895	4.144	20	30		GIEDMO
C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)Nc1ccc(CC#N)cc1Cl	ZINC000455724512	822714176	/nfs/dbraw/zinc/71/41/76/822714176.db2.gz	CDUDFJJHTNALGI-MGPUTAFESA-N	1	1	382.895	4.048	20	30		GIEDMO
C[C@H]1[C@@H](NC(=O)Nc2ccc(CC#N)cc2Cl)CC[N@H+]1Cc1ccccc1	ZINC000455733661	822716572	/nfs/dbraw/zinc/71/65/72/822716572.db2.gz	NVOLVZVCTSISBO-KXBFYZLASA-N	1	1	382.895	4.191	20	30		GIEDMO
CC[N@@H+](CCC1CCN(C(=O)Nc2cnc(C#N)c(Cl)c2)CC1)CC(C)C	ZINC000455795833	822728050	/nfs/dbraw/zinc/72/80/50/822728050.db2.gz	UOKHAJSOFASLPF-UHFFFAOYSA-N	1	1	391.947	4.219	20	30		GIEDMO
CC(C)[N@@H+]1CC[C@@H](NC(=O)Nc2cccc(CC#N)c2)[C@H]1c1ccc(F)c(F)c1	ZINC000455904976	822746070	/nfs/dbraw/zinc/74/60/70/822746070.db2.gz	KUKSMZIINOCFTI-NHCUHLMSSA-N	1	1	398.457	4.376	20	30		GIEDMO
CC(C)[N@H+]1CC[C@@H](NC(=O)Nc2cccc(CC#N)c2)[C@H]1c1ccc(F)c(F)c1	ZINC000455904976	822746073	/nfs/dbraw/zinc/74/60/73/822746073.db2.gz	KUKSMZIINOCFTI-NHCUHLMSSA-N	1	1	398.457	4.376	20	30		GIEDMO
C[N@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)C[C@@H]1CCCO[C@@H]1c1ccccc1	ZINC000051133649	822747771	/nfs/dbraw/zinc/74/77/71/822747771.db2.gz	BCMLSNPDLCHEPV-PGRDOPGGSA-N	1	1	397.906	4.250	20	30		GIEDMO
C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)Nc1cccc(CC#N)c1	ZINC000455914325	822748145	/nfs/dbraw/zinc/74/81/45/822748145.db2.gz	GCOYJTNOFHOKGJ-SFHVURJKSA-N	1	1	376.504	4.449	20	30		GIEDMO
CN(CC[N@@H+](C)C1CC1)C(=O)Nc1ccc(Sc2ccccc2C#N)cc1	ZINC000455941723	822754198	/nfs/dbraw/zinc/75/41/98/822754198.db2.gz	JTNUXNIAZAOSOM-UHFFFAOYSA-N	1	1	380.517	4.267	20	30		GIEDMO
N#Cc1ccccc1Sc1ccc(NC(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1	ZINC000455944100	822755095	/nfs/dbraw/zinc/75/50/95/822755095.db2.gz	MJSHNLMRJDTHCR-OALUTQOASA-N	1	1	392.528	4.458	20	30		GIEDMO
Cc1cnc([C@H]([NH2+][C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C2CC2)s1	ZINC000185348439	822769247	/nfs/dbraw/zinc/76/92/47/822769247.db2.gz	PGUWJPFPVQWPMP-YLJYHZDGSA-N	1	1	396.560	4.444	20	30		GIEDMO
Cc1[nH+]ccn1CCNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	ZINC000052252957	822794317	/nfs/dbraw/zinc/79/43/17/822794317.db2.gz	ZPXAJPJGERVZRE-LJQANCHMSA-N	1	1	393.878	4.322	20	30		GIEDMO
Cc1[nH+]ccn1CCNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	ZINC000052254723	822794413	/nfs/dbraw/zinc/79/44/13/822794413.db2.gz	NBYUEIKAKASIHC-UHFFFAOYSA-N	1	1	395.850	4.331	20	30		GIEDMO
CC[N@H+](CCOc1cccc(C#N)c1)CC(=O)Nc1c(Cl)cccc1Cl	ZINC000052310370	822795834	/nfs/dbraw/zinc/79/58/34/822795834.db2.gz	MYIIHNAIHIRFLJ-UHFFFAOYSA-N	1	1	392.286	4.204	20	30		GIEDMO
CC[N@@H+](CCOc1cccc(C#N)c1)CC(=O)Nc1c(Cl)cccc1Cl	ZINC000052310370	822795835	/nfs/dbraw/zinc/79/58/35/822795835.db2.gz	MYIIHNAIHIRFLJ-UHFFFAOYSA-N	1	1	392.286	4.204	20	30		GIEDMO
C[N@H+]1CCC[C@@H](CNC(=O)Nc2ccc(C#N)c(Cl)c2)[C@@H]1c1cccs1	ZINC000174528929	822801698	/nfs/dbraw/zinc/80/16/98/822801698.db2.gz	IDKVAIWFYHELRF-KBXCAEBGSA-N	1	1	388.924	4.478	20	30		GIEDMO
CCC[N@@H+](CC(=O)Nc1ccc(N2CCCC2)cc1C)Cc1ccc(C#N)cc1	ZINC000052825713	822812297	/nfs/dbraw/zinc/81/22/97/822812297.db2.gz	WJWULWWZJLKNGU-UHFFFAOYSA-N	1	1	390.531	4.318	20	30		GIEDMO
Cc1cccc(C[N@@H+](CCC(=O)Nc2ccccc2C#N)Cc2ccccn2)c1	ZINC000174674591	822821765	/nfs/dbraw/zinc/82/17/65/822821765.db2.gz	BTWIJGWRPPAACX-UHFFFAOYSA-N	1	1	384.483	4.293	20	30		GIEDMO
C[N@H+](CC(=O)Nc1ccc(Sc2ccccc2C#N)cc1)[C@H]1CCSC1	ZINC000456797940	822832146	/nfs/dbraw/zinc/83/21/46/822832146.db2.gz	ULPMSCOSRIMGGC-KRWDZBQOSA-N	1	1	383.542	4.085	20	30		GIEDMO
C[N@@H+](CC(=O)Nc1ccc(Sc2ccccc2C#N)cc1)[C@H]1CCSC1	ZINC000456797940	822832148	/nfs/dbraw/zinc/83/21/48/822832148.db2.gz	ULPMSCOSRIMGGC-KRWDZBQOSA-N	1	1	383.542	4.085	20	30		GIEDMO
CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(C(C)(C)C#N)cc1	ZINC000174903682	822853327	/nfs/dbraw/zinc/85/33/27/822853327.db2.gz	RBMLUDWVEJSWGU-HXUWFJFHSA-N	1	1	390.531	4.474	20	30		GIEDMO
Cc1csc(C2([NH2+]CC(=O)N(CCC#N)c3cccc(C)c3C)CCCC2)n1	ZINC000175023085	822869421	/nfs/dbraw/zinc/86/94/21/822869421.db2.gz	LROKMIGLWYOBIC-UHFFFAOYSA-N	1	1	396.560	4.374	20	30		GIEDMO
C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NCc1cc(C#N)ccc1F	ZINC000175121420	822886408	/nfs/dbraw/zinc/88/64/08/822886408.db2.gz	KYWSIYHZOSWBGC-KRWDZBQOSA-N	1	1	394.494	4.071	20	30		GIEDMO
N#CC1(c2ccc(C(=O)NC[C@H]3CCCC[N@@H+](Cc4ccccc4)C3)cc2)CC1	ZINC000569416025	822919488	/nfs/dbraw/zinc/91/94/88/822919488.db2.gz	HQZUMOQZGQFMOM-OAQYLSRUSA-N	1	1	387.527	4.274	20	30		GIEDMO
C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)C1(c2ccc(C#N)cc2)CC1	ZINC000187311856	823041728	/nfs/dbraw/zinc/04/17/28/823041728.db2.gz	FUSQWIYZLFGNOV-UHFFFAOYSA-N	1	1	399.494	4.131	20	30		GIEDMO
C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)C1(c2ccc(C#N)cc2)CC1	ZINC000187311856	823041732	/nfs/dbraw/zinc/04/17/32/823041732.db2.gz	FUSQWIYZLFGNOV-UHFFFAOYSA-N	1	1	399.494	4.131	20	30		GIEDMO
C=CCn1c(-c2ccoc2)nnc1N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1	ZINC000570486542	823044842	/nfs/dbraw/zinc/04/48/42/823044842.db2.gz	CGBIQCNCFQRVEP-UHFFFAOYSA-N	1	1	397.910	4.090	20	30		GIEDMO
C=C(C)Cn1c(-c2c[nH]c3ccccc32)nnc1N(C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1	ZINC000460948462	823548659	/nfs/dbraw/zinc/54/86/59/823548659.db2.gz	WKRGESSPKAGLEE-ZWKOTPCHSA-N	1	1	392.551	4.312	20	30		GIEDMO
Fc1ccc(OC2CC[NH+](CC#Cc3ccc(OC(F)(F)F)cc3)CC2)cn1	ZINC000190498112	823581352	/nfs/dbraw/zinc/58/13/52/823581352.db2.gz	XDQDZEAVKPHNHU-UHFFFAOYSA-N	1	1	394.368	4.014	20	30		GIEDMO
CN(CC[C@H]1CCCC[N@H+]1C)C(=O)c1cccc(Nc2ccc(C#N)cc2)c1	ZINC000461269081	823609530	/nfs/dbraw/zinc/60/95/30/823609530.db2.gz	WVQSQGGCYCFZAY-JOCHJYFZSA-N	1	1	376.504	4.248	20	30		GIEDMO
C[C@@H](NC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1)c1ccc(C#N)cc1	ZINC000061868875	823617004	/nfs/dbraw/zinc/61/70/04/823617004.db2.gz	ZCXNPXKELSQUOV-RTBURBONSA-N	1	1	390.531	4.351	20	30		GIEDMO
CSc1ccccc1OC[C@H](O)C[N@@H+](Cc1ccc(F)c(C#N)c1)C(C)C	ZINC000411984951	823618129	/nfs/dbraw/zinc/61/81/29/823618129.db2.gz	NJJBIJLXYNZVIB-GOSISDBHSA-N	1	1	388.508	4.070	20	30		GIEDMO
C=CCc1ccccc1OC[C@H](O)C[N@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1	ZINC000411999630	823620210	/nfs/dbraw/zinc/62/02/10/823620210.db2.gz	NBVCPLSQXQZHKQ-VWNXMTODSA-N	1	1	393.527	4.009	20	30		GIEDMO
COc1ccc(C[NH2+]Cc2csc(-c3ccco3)n2)cc1OCCCC#N	ZINC000124811132	823628100	/nfs/dbraw/zinc/62/81/00/823628100.db2.gz	YQYIVPQSPZTXIA-UHFFFAOYSA-N	1	1	383.473	4.384	20	30		GIEDMO
C[C@H](CNCc1cccc(OCc2cccc(C#N)c2)c1)[NH+]1CCC(C)CC1	ZINC000062423427	823634961	/nfs/dbraw/zinc/63/49/61/823634961.db2.gz	LOMRXFRQHHMUNB-HXUWFJFHSA-N	1	1	377.532	4.347	20	30		GIEDMO
C=CC[N@@H+](Cc1cccc(C#N)c1)C[C@@H](O)COc1cc(Cl)ccc1Cl	ZINC000063299734	823660808	/nfs/dbraw/zinc/66/08/08/823660808.db2.gz	FNOLQXIQDNDYRT-GOSISDBHSA-N	1	1	391.298	4.293	20	30		GIEDMO
N#Cc1ccsc1NC(=O)CC[N@@H+](CCc1ccccc1)Cc1cccnc1	ZINC000191351771	823675419	/nfs/dbraw/zinc/67/54/19/823675419.db2.gz	WYCKMJRTIQYTIL-UHFFFAOYSA-N	1	1	390.512	4.088	20	30		GIEDMO
Cc1cccc(N(CCC#N)C(=O)C[NH+]2CCC(OC3CCCCC3)CC2)c1C	ZINC000125447729	823676883	/nfs/dbraw/zinc/67/68/83/823676883.db2.gz	QEDGFPMDLOKKFJ-UHFFFAOYSA-N	1	1	397.563	4.364	20	30		GIEDMO
C=CCc1cccc(C(C)C)c1NC(=O)N1CCCC[C@H](N2CC[NH+](C)CC2)C1	ZINC000191430205	823684434	/nfs/dbraw/zinc/68/44/34/823684434.db2.gz	JXTPJIWZLZXNHE-NRFANRHFSA-N	1	1	398.595	4.172	20	30		GIEDMO
CC(C)[N@H+](Cc1csc(-c2ccc(C(N)=O)cc2)n1)Cc1ccc(C#N)cc1	ZINC000063750275	823693306	/nfs/dbraw/zinc/69/33/06/823693306.db2.gz	ZSDQIOYGQJVYJK-UHFFFAOYSA-N	1	1	390.512	4.191	20	30		GIEDMO
CC(C)[N@@H+](Cc1csc(-c2ccc(C(N)=O)cc2)n1)Cc1ccc(C#N)cc1	ZINC000063750275	823693308	/nfs/dbraw/zinc/69/33/08/823693308.db2.gz	ZSDQIOYGQJVYJK-UHFFFAOYSA-N	1	1	390.512	4.191	20	30		GIEDMO
N#CC(CC[N@H+]1CCS[C@H]2COCC[C@@H]21)(c1ccccc1)c1ccccc1	ZINC000191554346	823699128	/nfs/dbraw/zinc/69/91/28/823699128.db2.gz	IZMIUYPFZQJHRW-VXKWHMMOSA-N	1	1	378.541	4.093	20	30		GIEDMO
C[C@@H](C(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)c1cccc(C#N)c1	ZINC000461904066	823747164	/nfs/dbraw/zinc/74/71/64/823747164.db2.gz	SQCKMMYKHFWHBP-RBUKOAKNSA-N	1	1	375.516	4.353	20	30		GIEDMO
C[C@@H](C(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1)c1cccc(C#N)c1	ZINC000461910593	823750387	/nfs/dbraw/zinc/75/03/87/823750387.db2.gz	NWWXLONLXAEUHQ-HSALFYBXSA-N	1	1	389.543	4.456	20	30		GIEDMO
C=C(C)Cn1c(N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)nnc1C(C)(C)C	ZINC000574535430	823758024	/nfs/dbraw/zinc/75/80/24/823758024.db2.gz	UVBJGWFTHQDTCY-HXUWFJFHSA-N	1	1	381.568	4.110	20	30		GIEDMO
N#CCC[C@@H](C#N)CN1CC[NH+](Cc2ccc(-c3cccc(F)c3)s2)CC1	ZINC000125991947	823761877	/nfs/dbraw/zinc/76/18/77/823761877.db2.gz	RZZSINYLDDHVRZ-KRWDZBQOSA-N	1	1	382.508	4.115	20	30		GIEDMO
C[N@@H+](CCN(Cc1ccccc1)C(=O)N[C@H]1CCC[C@H]1C#N)Cc1ccccc1	ZINC000461946824	823767743	/nfs/dbraw/zinc/76/77/43/823767743.db2.gz	HWGGQMUEIZSQNB-GOTSBHOMSA-N	1	1	390.531	4.022	20	30		GIEDMO
CC[N@@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)[C@@H](C)c1ccc(C#N)cc1	ZINC000164982028	823828074	/nfs/dbraw/zinc/82/80/74/823828074.db2.gz	MUVHNWCPHHPNOQ-INIZCTEOSA-N	1	1	380.448	4.187	20	30		GIEDMO
C[C@@H](c1cc(F)ccc1F)[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCC2	ZINC000165185166	823838620	/nfs/dbraw/zinc/83/86/20/823838620.db2.gz	XUANMGHNOJMDPD-LBPRGKRZSA-N	1	1	389.471	4.408	20	30		GIEDMO
COc1ccc(CNCc2cccc(C[NH+]3CCCC3)c2)cc1OCCCC#N	ZINC000064613816	823852705	/nfs/dbraw/zinc/85/27/05/823852705.db2.gz	IJVAWVCWJZWQDH-UHFFFAOYSA-N	1	1	393.531	4.263	20	30		GIEDMO
C=CCCCN(C)C(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1	ZINC000413870916	823853343	/nfs/dbraw/zinc/85/33/43/823853343.db2.gz	BYYPROLJRGLFSP-UHFFFAOYSA-N	1	1	394.357	4.021	20	30		GIEDMO
CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H](C)c1cccc(C#N)c1	ZINC000462192406	823863298	/nfs/dbraw/zinc/86/32/98/823863298.db2.gz	BUBLMYHAYNTQLW-KNQAVFIVSA-N	1	1	375.516	4.032	20	30		GIEDMO
C[C@H](C(=O)Nc1ccc(OCC[N@H+]2CC[C@@H](C)C2)cc1)c1cccc(C#N)c1	ZINC000462200910	823867352	/nfs/dbraw/zinc/86/73/52/823867352.db2.gz	ICZDKSMWRPIHMT-MSOLQXFVSA-N	1	1	377.488	4.021	20	30		GIEDMO
N#Cc1ccsc1NC(=O)C[N@@H+](Cc1ccc2c(c1)OCO2)C1CCCCC1	ZINC000064805542	823888630	/nfs/dbraw/zinc/88/86/30/823888630.db2.gz	ZXCHBMGFMAUEBV-UHFFFAOYSA-N	1	1	397.500	4.122	20	30		GIEDMO
C[C@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CCS1	ZINC000192178729	823893533	/nfs/dbraw/zinc/89/35/33/823893533.db2.gz	QMWSKNDLWKGTDN-AWEZNQCLSA-N	1	1	377.579	4.045	20	30		GIEDMO
CC(C)C[N@@H+](CCC(=O)Nc1sccc1C#N)[C@@H]1CCCc2cccnc21	ZINC000126987029	823995462	/nfs/dbraw/zinc/99/54/62/823995462.db2.gz	IKZLNWOXZDUKCP-GOSISDBHSA-N	1	1	382.533	4.379	20	30		GIEDMO
C=C(C)C[N@@H+](Cc1ccccc1)Cc1cc(=O)n2cc(Br)ccc2n1	ZINC000575849418	824011899	/nfs/dbraw/zinc/01/18/99/824011899.db2.gz	OPVKOGQFYCONBC-UHFFFAOYSA-N	1	1	398.304	4.035	20	30		GIEDMO
Cc1ccc(C[NH2+]Cc2cnc3c(C#N)cnn3c2)c(O[C@@H](C)CC(C)C)c1	ZINC000575868921	824016449	/nfs/dbraw/zinc/01/64/49/824016449.db2.gz	QGNDEQSZYHIROQ-KRWDZBQOSA-N	1	1	377.492	4.013	20	30		GIEDMO
N#Cc1ccc(-c2ccc(F)cc2)nc1N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1	ZINC001164726126	720338772	/nfs/dbraw/zinc/33/87/72/720338772.db2.gz	PUQHOQRRBAMJCW-XZOQPEGZSA-N	1	1	399.473	4.008	20	30		GIEDMO
Cc1nc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c(C#N)c(C)c1Cl	ZINC001164955085	722013260	/nfs/dbraw/zinc/01/32/60/722013260.db2.gz	TXJXHOORCASWLF-UHFFFAOYSA-N	1	1	395.938	4.111	20	30		GIEDMO
C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](C)CC1(O)CCCCCC1	ZINC000187343638	823046498	/nfs/dbraw/zinc/04/64/98/823046498.db2.gz	QJZIDSGYBCBQBD-KRWDZBQOSA-N	1	1	389.565	4.036	20	30		GIEDMO
C[C@H](NC(=O)N[C@H](CCCC#N)c1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1	ZINC000458630568	823066996	/nfs/dbraw/zinc/06/69/96/823066996.db2.gz	KKKKOWDSGYCHFY-RCZSKKKRSA-N	1	1	382.552	4.374	20	30		GIEDMO
Cn1cc([C@H]([NH2+]Cc2cccc(OCCCC#N)c2)c2ccc(F)cc2)cn1	ZINC000187514435	823078747	/nfs/dbraw/zinc/07/87/47/823078747.db2.gz	WMFLNXOYCVUIJD-JOCHJYFZSA-N	1	1	378.451	4.121	20	30		GIEDMO
C=C(C)COc1cc(C[NH2+][C@H](c2cnn(C)c2)c2ccc(F)cc2)ccc1OC	ZINC000187520593	823080333	/nfs/dbraw/zinc/08/03/33/823080333.db2.gz	DLEFCKNCWNLTIG-QHCPKHFHSA-N	1	1	395.478	4.402	20	30		GIEDMO
N#CCCC[C@H](NC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccccc1	ZINC000458805086	823089059	/nfs/dbraw/zinc/08/90/59/823089059.db2.gz	TWWDCIQASKKLCY-BVSLBCMMSA-N	1	1	380.536	4.080	20	30		GIEDMO
N#Cc1ccc(C[N@@H+]2CCC[C@H](c3nc(-c4ccc(Cl)cc4)no3)C2)nc1	ZINC000570859887	823097291	/nfs/dbraw/zinc/09/72/91/823097291.db2.gz	LAUJHSYCSGIMEE-INIZCTEOSA-N	1	1	379.851	4.036	20	30		GIEDMO
C[N@H+](Cc1ccccc1)CC1CCN(C(=O)c2cccc(SCC#N)c2)CC1	ZINC000176040478	823103917	/nfs/dbraw/zinc/10/39/17/823103917.db2.gz	NGGSLPRMXLMNAU-UHFFFAOYSA-N	1	1	393.556	4.286	20	30		GIEDMO
C=C(C)[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(NC(C)=O)c1)c1ccc(F)c(F)c1	ZINC000187773122	823129967	/nfs/dbraw/zinc/12/99/67/823129967.db2.gz	KLQZFXYBFCJRAR-RNODOKPDSA-N	1	1	387.430	4.157	20	30		GIEDMO
C=C(C)[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)c1ccc(F)c(F)c1	ZINC000187760477	823127438	/nfs/dbraw/zinc/12/74/38/823127438.db2.gz	GTEGYZKZFQSZCC-LJQANCHMSA-N	1	1	375.806	4.335	20	30		GIEDMO
C=C(C)[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(F)c(F)c1	ZINC000187760586	823127570	/nfs/dbraw/zinc/12/75/70/823127570.db2.gz	GRZVKHKSIKHELK-SFHVURJKSA-N	1	1	395.793	4.372	20	30		GIEDMO
C=CCOc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1OC	ZINC000176137225	823132936	/nfs/dbraw/zinc/13/29/36/823132936.db2.gz	RDPLGAKRGIIIQH-NQIIRXRSSA-N	1	1	394.515	4.043	20	30		GIEDMO
C=C(C)[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C)c1ccc(F)c(F)c1	ZINC000187794548	823134470	/nfs/dbraw/zinc/13/44/70/823134470.db2.gz	FRFVFGHOBQAIPW-LJQANCHMSA-N	1	1	375.375	4.027	20	30		GIEDMO
N#CCc1ccc(OC[C@H](O)C[N@H+]2CC3(CCCC3)[C@H]2c2ccccc2)cc1	ZINC000459566652	823221417	/nfs/dbraw/zinc/22/14/17/823221417.db2.gz	HTGUAWXGLFRFAV-FYYLOGMGSA-N	1	1	376.500	4.110	20	30		GIEDMO
C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3ccn(-c4cccc(C#N)c4)n3)cc2)C1	ZINC000409460978	823224786	/nfs/dbraw/zinc/22/47/86/823224786.db2.gz	LGTUYQNIYNDLDT-GOSISDBHSA-N	1	1	399.498	4.228	20	30		GIEDMO
CCN(C(=O)Nc1snc(C)c1C#N)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1	ZINC000459598630	823227330	/nfs/dbraw/zinc/22/73/30/823227330.db2.gz	YYARRHBMFGKTDH-RDJZCZTQSA-N	1	1	383.521	4.013	20	30		GIEDMO
C=CCc1cc(C[N@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)cc(OC)c1O	ZINC000459655751	823241328	/nfs/dbraw/zinc/24/13/28/823241328.db2.gz	VCCCGUAKPGJLFP-GOSISDBHSA-N	1	1	399.453	4.310	20	30		GIEDMO
N#Cc1csc(C[N@@H+]2CCC[C@H](c3nnc4ccc(C(F)(F)F)cn43)C2)c1	ZINC000121753184	823243648	/nfs/dbraw/zinc/24/36/48/823243648.db2.gz	DSABPZVZPYTQCC-ZDUSSCGKSA-N	1	1	391.422	4.061	20	30		GIEDMO
C[N@@H+](CCc1nc(-c2ccccc2)no1)Cc1cccc(OCCCC#N)c1	ZINC000572047379	823274003	/nfs/dbraw/zinc/27/40/03/823274003.db2.gz	FGKJLEBNVDIDLY-UHFFFAOYSA-N	1	1	376.460	4.094	20	30		GIEDMO
C=CCC(C)(C)C(=O)Nc1cc(NC(=O)C[N@H+]2CCCC[C@@H]2C)ccc1F	ZINC000460027537	823280883	/nfs/dbraw/zinc/28/08/83/823280883.db2.gz	SPVYCYZGEQPVGB-HNNXBMFYSA-N	1	1	375.488	4.179	20	30		GIEDMO
C=CCC(C)(C)C(=O)Nc1cc(NC(=O)C[N@@H+]2CCCC[C@@H]2C)ccc1F	ZINC000460027537	823280887	/nfs/dbraw/zinc/28/08/87/823280887.db2.gz	SPVYCYZGEQPVGB-HNNXBMFYSA-N	1	1	375.488	4.179	20	30		GIEDMO
COc1ccc(C[N@@H+](CC(=O)N(CCC#N)c2ccccc2)[C@H](C)C2CC2)cc1	ZINC000057601081	823313461	/nfs/dbraw/zinc/31/34/61/823313461.db2.gz	QFZPQIAZZKAZCA-LJQANCHMSA-N	1	1	391.515	4.243	20	30		GIEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=S)Nc3ccc(Cl)cc3)CC2)cc1	ZINC000017517638	818518046	/nfs/dbraw/zinc/51/80/46/818518046.db2.gz	WCMHUFCKBJVNFQ-UHFFFAOYSA-N	1	1	384.936	4.116	20	30		GIEDMO
N#CCCn1cc(C[N@H+]2CCCN3c4ccccc4C[C@@H]3C2)c(-c2ccccc2)n1	ZINC000572536567	823356819	/nfs/dbraw/zinc/35/68/19/823356819.db2.gz	QDEBQJVCZUQFCQ-HSZRJFAPSA-N	1	1	397.526	4.101	20	30		GIEDMO
CCn1c2ccccc2nc1[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccc(C#N)cc1	ZINC000177045718	823358818	/nfs/dbraw/zinc/35/88/18/823358818.db2.gz	LIQKICODVGEVAV-NRFANRHFSA-N	1	1	387.487	4.094	20	30		GIEDMO
C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1ccc(Cl)s1	ZINC000022199460	818782652	/nfs/dbraw/zinc/78/26/52/818782652.db2.gz	XWGMGXAUSLEAOD-UHFFFAOYSA-N	1	1	379.938	4.284	20	30		GIEDMO
CC(C)[N@@H+](Cc1ccc(C#N)cc1)Cn1c(Cc2cccs2)n[nH]c1=S	ZINC000058206609	823368734	/nfs/dbraw/zinc/36/87/34/823368734.db2.gz	UXGRHYCJJIYFGM-UHFFFAOYSA-N	1	1	383.546	4.333	20	30		GIEDMO
CC(C)[N@H+](Cc1ccc(C#N)cc1)Cn1c(Cc2cccs2)n[nH]c1=S	ZINC000058206609	823368739	/nfs/dbraw/zinc/36/87/39/823368739.db2.gz	UXGRHYCJJIYFGM-UHFFFAOYSA-N	1	1	383.546	4.333	20	30		GIEDMO
CC(C)(C#N)c1ccc(-c2nc(-c3ccc(C[NH+]4CCOCC4)cc3)no2)cc1	ZINC000572642694	823373704	/nfs/dbraw/zinc/37/37/04/823373704.db2.gz	QTRRPDBMKQWNJH-UHFFFAOYSA-N	1	1	388.471	4.037	20	30		GIEDMO
O=C(CC1CCCC1)NC1CC[NH+](CC#Cc2ccc(C(F)(F)F)cc2)CC1	ZINC000177155582	823385663	/nfs/dbraw/zinc/38/56/63/823385663.db2.gz	SXCPGAVYOUTHHR-UHFFFAOYSA-N	1	1	392.465	4.218	20	30		GIEDMO
Cc1ccc(C#N)cc1NC(=O)N1CC[NH+](Cc2ccc(C(C)C)cc2)CC1	ZINC000058453525	823393619	/nfs/dbraw/zinc/39/36/19/823393619.db2.gz	MDRZSOLWQUBRAL-UHFFFAOYSA-N	1	1	376.504	4.340	20	30		GIEDMO
C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCS[C@H]2CCCC[C@@H]21	ZINC000177199488	823397202	/nfs/dbraw/zinc/39/72/02/823397202.db2.gz	HJGMVASDNYZCLG-AYBZRNKSSA-N	1	1	389.590	4.237	20	30		GIEDMO
C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCS[C@H]2CCCC[C@@H]21	ZINC000177199488	823397208	/nfs/dbraw/zinc/39/72/08/823397208.db2.gz	HJGMVASDNYZCLG-AYBZRNKSSA-N	1	1	389.590	4.237	20	30		GIEDMO
C=C(C)Cn1c(Cc2ccccc2C)nnc1N(C)[C@H]1CC[N@H+](CC)[C@H](C)C1	ZINC000460555816	823431075	/nfs/dbraw/zinc/43/10/75/823431075.db2.gz	ROEQUEGVWOJOFC-CTNGQTDRSA-N	1	1	381.568	4.062	20	30		GIEDMO
C=CCn1c(C2CCC2)nnc1N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1	ZINC000573021100	823434668	/nfs/dbraw/zinc/43/46/68/823434668.db2.gz	KRZHOWVZPTUYBH-NQIIRXRSSA-N	1	1	379.552	4.221	20	30		GIEDMO
C[N@@H+](CCOc1ccc(Cl)cc1Br)Cc1cccc(C#N)c1	ZINC000026326437	820084028	/nfs/dbraw/zinc/08/40/28/820084028.db2.gz	VWQXHHAOAIZRGC-UHFFFAOYSA-N	1	1	379.685	4.485	20	30		GIEDMO
C[C@H]([NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)c1ccccc1Cl	ZINC000026363803	820089633	/nfs/dbraw/zinc/08/96/33/820089633.db2.gz	JVCOAEXTJQFUPH-AWEZNQCLSA-N	1	1	394.824	4.177	20	30		GIEDMO
N#Cc1ccc(C[N@@H+](Cc2ccco2)Cc2ccc(C(=O)NC3CC3)cc2)cc1	ZINC000027575422	820261731	/nfs/dbraw/zinc/26/17/31/820261731.db2.gz	LTRPLETTWQWBJA-UHFFFAOYSA-N	1	1	385.467	4.246	20	30		GIEDMO
N#Cc1ccc(C[N@H+](Cc2ccco2)Cc2ccc(C(=O)NC3CC3)cc2)cc1	ZINC000027575422	820261740	/nfs/dbraw/zinc/26/17/40/820261740.db2.gz	LTRPLETTWQWBJA-UHFFFAOYSA-N	1	1	385.467	4.246	20	30		GIEDMO
C=CCn1c(C)cc(C(=O)C[N@@H+]2CCC[C@H](c3nc4ccccc4o3)C2)c1C	ZINC000029827388	820526456	/nfs/dbraw/zinc/52/64/56/820526456.db2.gz	WQQOZJGBJVEQEY-SFHVURJKSA-N	1	1	377.488	4.494	20	30		GIEDMO
C=CCn1c(C)cc(C(=O)C[N@H+]2CCC[C@H](c3nc4ccccc4o3)C2)c1C	ZINC000029827388	820526470	/nfs/dbraw/zinc/52/64/70/820526470.db2.gz	WQQOZJGBJVEQEY-SFHVURJKSA-N	1	1	377.488	4.494	20	30		GIEDMO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3cccc(Cl)c3Cl)CC2)cc1	ZINC000029983703	820560495	/nfs/dbraw/zinc/56/04/95/820560495.db2.gz	UJMXHQKMIFUVFJ-UHFFFAOYSA-N	1	1	388.298	4.213	20	30		GIEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cccc(Cl)c3Cl)CC2)cc1	ZINC000029983703	820560498	/nfs/dbraw/zinc/56/04/98/820560498.db2.gz	UJMXHQKMIFUVFJ-UHFFFAOYSA-N	1	1	388.298	4.213	20	30		GIEDMO
Cc1cccc2nc(C3CC[NH+]([C@@H](C)C(=O)Nc4ccccc4C#N)CC3)oc21	ZINC000189800219	823496787	/nfs/dbraw/zinc/49/67/87/823496787.db2.gz	SQWYHDDTBAZHRM-INIZCTEOSA-N	1	1	388.471	4.215	20	30		GIEDMO
C[C@@H]1C[N@@H+](Cc2ccc(C(=O)Nc3ccc(Cl)cc3CC#N)cc2)C[C@H](C)O1	ZINC000410969167	823526075	/nfs/dbraw/zinc/52/60/75/823526075.db2.gz	PDMJVHPZUXRVBG-IYBDPMFKSA-N	1	1	397.906	4.268	20	30		GIEDMO
C[C@@H]1C[N@H+](Cc2ccc(C(=O)Nc3ccc(Cl)cc3CC#N)cc2)C[C@H](C)O1	ZINC000410969167	823526077	/nfs/dbraw/zinc/52/60/77/823526077.db2.gz	PDMJVHPZUXRVBG-IYBDPMFKSA-N	1	1	397.906	4.268	20	30		GIEDMO
CC[N@@H+](CC(=O)Nc1ccc(N2CCCC2)cc1)[C@@H](C)c1ccc(C#N)cc1	ZINC000042741005	821329248	/nfs/dbraw/zinc/32/92/48/821329248.db2.gz	YKDDPKLQXDTNLL-SFHVURJKSA-N	1	1	376.504	4.180	20	30		GIEDMO
CC(C)c1ccc(NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1	ZINC000043192319	821376965	/nfs/dbraw/zinc/37/69/65/821376965.db2.gz	GBOMKWHKFQSRDW-UHFFFAOYSA-N	1	1	376.504	4.421	20	30		GIEDMO
C[C@@H](CCO)[N@@H+](CC(=O)c1cn(CCC#N)c2ccccc12)Cc1ccccc1	ZINC000180984259	821574168	/nfs/dbraw/zinc/57/41/68/821574168.db2.gz	RDCQRNOETSUYCY-IBGZPJMESA-N	1	1	389.499	4.011	20	30		GIEDMO
CC(C)[N@@H+]1CC[C@H](NC(=O)c2cccc(CC#N)c2)[C@@H]1c1ccc(Cl)c(F)c1	ZINC000181369663	821792499	/nfs/dbraw/zinc/79/24/99/821792499.db2.gz	FEQFGQRRBUDZLV-SFTDATJTSA-N	1	1	399.897	4.499	20	30		GIEDMO
CC(C)[N@H+]1CC[C@H](NC(=O)c2cccc(CC#N)c2)[C@@H]1c1ccc(Cl)c(F)c1	ZINC000181369663	821792503	/nfs/dbraw/zinc/79/25/03/821792503.db2.gz	FEQFGQRRBUDZLV-SFTDATJTSA-N	1	1	399.897	4.499	20	30		GIEDMO
C=C(Cl)COc1ccc([C@H](C)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cc1	ZINC000181410716	821811342	/nfs/dbraw/zinc/81/13/42/821811342.db2.gz	MATLKZQTLWGIDB-HSQYWUDLSA-N	1	1	392.971	4.236	20	30		GIEDMO
CCn1c2ccccc2nc1[C@@H](C)NC1CC[NH+](Cc2ccc(C#N)cc2)CC1	ZINC000181974914	822049756	/nfs/dbraw/zinc/04/97/56/822049756.db2.gz	DIHPAILRUYZHQY-GOSISDBHSA-N	1	1	387.531	4.243	20	30		GIEDMO
N#Cc1ccc(C[NH+]2CCC(NCC#Cc3ccc(C(F)(F)F)cc3)CC2)cc1	ZINC000182000064	822058303	/nfs/dbraw/zinc/05/83/03/822058303.db2.gz	SCUCNCZDOKUZPA-UHFFFAOYSA-N	1	1	397.444	4.183	20	30		GIEDMO
CC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)C1	ZINC000178044333	822297214	/nfs/dbraw/zinc/29/72/14/822297214.db2.gz	CVILWODCALRBMR-INIZCTEOSA-N	1	1	396.466	4.295	20	30		GIEDMO
CC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)C1	ZINC000178044342	822297253	/nfs/dbraw/zinc/29/72/53/822297253.db2.gz	CVILWODCALRBMR-MRXNPFEDSA-N	1	1	396.466	4.295	20	30		GIEDMO
CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1	ZINC000182938645	822396445	/nfs/dbraw/zinc/39/64/45/822396445.db2.gz	IEBOJIRKOFUWBF-WMZOPIPTSA-N	1	1	384.524	4.120	20	30		GIEDMO
C[C@@H](NC(=O)C[N@H+](C)Cc1ccc(C#N)cc1)c1ccc(Cl)c(Cl)c1	ZINC000046527111	822481423	/nfs/dbraw/zinc/48/14/23/822481423.db2.gz	RHDVGXTTYDGAPZ-CYBMUJFWSA-N	1	1	376.287	4.174	20	30		GIEDMO
C[C@@H](NC(=O)C[N@@H+](C)Cc1ccc(C#N)cc1)c1ccc(Cl)c(Cl)c1	ZINC000046527111	822481428	/nfs/dbraw/zinc/48/14/28/822481428.db2.gz	RHDVGXTTYDGAPZ-CYBMUJFWSA-N	1	1	376.287	4.174	20	30		GIEDMO
CC[N@H+](Cc1c(C)nn(C)c1OCC(F)(F)F)[C@H](C)c1ccc(C#N)cc1	ZINC000179464444	822486574	/nfs/dbraw/zinc/48/65/74/822486574.db2.gz	YPWBIZGPTSTQIU-CQSZACIVSA-N	1	1	380.414	4.124	20	30		GIEDMO
CC[N@@H+](Cc1c(C)nn(C)c1OCC(F)(F)F)[C@H](C)c1ccc(C#N)cc1	ZINC000179464444	822486575	/nfs/dbraw/zinc/48/65/75/822486575.db2.gz	YPWBIZGPTSTQIU-CQSZACIVSA-N	1	1	380.414	4.124	20	30		GIEDMO
N#CCC[C@H](C#N)CN1CC[NH+](Cc2ccc(-c3ccccc3F)s2)CC1	ZINC000046578438	822487932	/nfs/dbraw/zinc/48/79/32/822487932.db2.gz	BHSBNNBDANQDIH-QGZVFWFLSA-N	1	1	382.508	4.115	20	30		GIEDMO
C[N@@H+](CCCCNC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)C1CC1	ZINC000454712593	822521965	/nfs/dbraw/zinc/52/19/65/822521965.db2.gz	BHHPLJJONTVJOF-UHFFFAOYSA-N	1	1	378.476	4.346	20	30		GIEDMO
N#CCCn1cc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)c(-c2ccccc2)n1	ZINC000183805365	822530180	/nfs/dbraw/zinc/53/01/80/822530180.db2.gz	YPCQHDMYWRCXTD-UHFFFAOYSA-N	1	1	395.850	4.315	20	30		GIEDMO
CC[C@@H](c1ccncc1)[N@H+](C)CC(=O)Nc1ccccc1SC[C@@H](C)C#N	ZINC000179702213	822530834	/nfs/dbraw/zinc/53/08/34/822530834.db2.gz	BRCUVOBKMXOBIE-LPHOPBHVSA-N	1	1	382.533	4.355	20	30		GIEDMO
CC[C@@H](c1ccncc1)[N@@H+](C)CC(=O)Nc1ccccc1SC[C@@H](C)C#N	ZINC000179702213	822530839	/nfs/dbraw/zinc/53/08/39/822530839.db2.gz	BRCUVOBKMXOBIE-LPHOPBHVSA-N	1	1	382.533	4.355	20	30		GIEDMO
C[C@H](C[N@@H+](C)CC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1nccs1	ZINC000183942695	822551204	/nfs/dbraw/zinc/55/12/04/822551204.db2.gz	NLDCWJCTMVMXQY-LSDHHAIUSA-N	1	1	388.562	4.069	20	30		GIEDMO
C[C@H](C[N@H+](C)CC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1nccs1	ZINC000183942695	822551205	/nfs/dbraw/zinc/55/12/05/822551205.db2.gz	NLDCWJCTMVMXQY-LSDHHAIUSA-N	1	1	388.562	4.069	20	30		GIEDMO
CCOc1cc(C[NH2+][C@H](CC)CC#N)cc(Br)c1OC(F)F	ZINC000184091365	822576538	/nfs/dbraw/zinc/57/65/38/822576538.db2.gz	KABRJWSYBAKGSW-LLVKDONJSA-N	1	1	377.229	4.231	20	30		GIEDMO
N#CC1(c2ccc(C(=O)Nc3ccccc3C[NH+]3CCSCC3)cc2)CC1	ZINC000180063969	822607140	/nfs/dbraw/zinc/60/71/40/822607140.db2.gz	RHIKVEQAEGTQNG-UHFFFAOYSA-N	1	1	377.513	4.043	20	30		GIEDMO
C[C@@H](C#N)Oc1ccccc1NC(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1	ZINC000184302897	822611019	/nfs/dbraw/zinc/61/10/19/822611019.db2.gz	PBSOIENLKHODPA-MOPGFXCFSA-N	1	1	392.503	4.106	20	30		GIEDMO
C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C	ZINC000180089584	822613074	/nfs/dbraw/zinc/61/30/74/822613074.db2.gz	KFPUGQAXUAEKFJ-OALUTQOASA-N	1	1	392.503	4.106	20	30		GIEDMO
C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1	ZINC000184358583	822621786	/nfs/dbraw/zinc/62/17/86/822621786.db2.gz	MGNFLUIYEGLKON-SFHVURJKSA-N	1	1	384.524	4.097	20	30		GIEDMO
C[C@H](C#N)Oc1ccccc1NC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1	ZINC000184358606	822621804	/nfs/dbraw/zinc/62/18/04/822621804.db2.gz	MGNFLUIYEGLKON-GOSISDBHSA-N	1	1	384.524	4.097	20	30		GIEDMO
CC[C@@H](C#N)Oc1cc(C[NH2+][C@@H](C)c2nc3ccccc3n2C)ccc1OC	ZINC000180175298	822632617	/nfs/dbraw/zinc/63/26/17/822632617.db2.gz	WMSAMKYBWPMVNH-RDJZCZTQSA-N	1	1	378.476	4.114	20	30		GIEDMO
C[C@@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1nc(C(C)(C)C)cs1	ZINC000184462706	822640047	/nfs/dbraw/zinc/64/00/47/822640047.db2.gz	FAWKFQJFKQFZKH-PBHICJAKSA-N	1	1	382.533	4.158	20	30		GIEDMO
N#CCCN(C(=O)C[NH2+][C@H](CC(F)(F)F)c1ccc(F)cc1)c1ccccc1	ZINC000180564329	822703342	/nfs/dbraw/zinc/70/33/42/822703342.db2.gz	RJRKSVYHVBIKIE-GOSISDBHSA-N	1	1	393.384	4.356	20	30		GIEDMO
C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)Nc2ccc(CC#N)cc2Cl)C1	ZINC000455704676	822707770	/nfs/dbraw/zinc/70/77/70/822707770.db2.gz	NWBGWHLMVAKASU-YJBOKZPZSA-N	1	1	382.895	4.363	20	30		GIEDMO
Cc1cc(CNC(=O)Nc2ccc(CC#N)cc2Cl)cc(N2CCCC2)[nH+]1	ZINC000455728364	822715483	/nfs/dbraw/zinc/71/54/83/822715483.db2.gz	HFMPDKIUJJUOBZ-UHFFFAOYSA-N	1	1	383.883	4.031	20	30		GIEDMO
C[C@@H]1[C@@H](NC(=O)Nc2ccc(CC#N)cc2Cl)CC[N@H+]1Cc1ccccc1	ZINC000455733658	822716505	/nfs/dbraw/zinc/71/65/05/822716505.db2.gz	NVOLVZVCTSISBO-BEFAXECRSA-N	1	1	382.895	4.191	20	30		GIEDMO
C[C@@H]1CN(C(=O)Nc2ccc(CC#N)cc2Cl)CC[N@@H+](Cc2ccccc2)C1	ZINC000455734242	822716702	/nfs/dbraw/zinc/71/67/02/822716702.db2.gz	OPUFZKBDGCKBBE-KRWDZBQOSA-N	1	1	396.922	4.392	20	30		GIEDMO
CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)C1	ZINC000455794680	822727871	/nfs/dbraw/zinc/72/78/71/822727871.db2.gz	OGONDGHOJXVMLO-GOSISDBHSA-N	1	1	395.507	4.363	20	30		GIEDMO
C[C@@H]1C[C@H](NC(=O)C(C)(C)Cc2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1	ZINC000455876456	822741058	/nfs/dbraw/zinc/74/10/58/822741058.db2.gz	OMOFGCJKJRKAOX-AUSIDOKSSA-N	1	1	389.543	4.296	20	30		GIEDMO
Cc1cnc([C@@H]([NH2+]CC(=O)N(CCC#N)c2ccc(C)c(C)c2)C2CC2)s1	ZINC000185274950	822758088	/nfs/dbraw/zinc/75/80/88/822758088.db2.gz	FHRKTXWESYQDFS-FQEVSTJZSA-N	1	1	382.533	4.056	20	30		GIEDMO
Cc1cnc([C@H]([NH2+]CC(=O)N(CCC#N)c2cccc(C)c2C)C2CC2)s1	ZINC000185332748	822767438	/nfs/dbraw/zinc/76/74/38/822767438.db2.gz	LMEGYROABOFWRA-HXUWFJFHSA-N	1	1	382.533	4.056	20	30		GIEDMO
N#Cc1ccsc1C(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1	ZINC000052036292	822788872	/nfs/dbraw/zinc/78/88/72/822788872.db2.gz	NOEZTGKHYULNJP-UHFFFAOYSA-N	1	1	393.434	4.033	20	30		GIEDMO
CCC[N@H+](CC(=O)Nc1ccccc1Br)Cc1ccc(C#N)cc1	ZINC000052825583	822812323	/nfs/dbraw/zinc/81/23/23/822812323.db2.gz	XFGYCFCXRIJXFT-UHFFFAOYSA-N	1	1	386.293	4.171	20	30		GIEDMO
CCC[N@@H+](CC(=O)Nc1ccccc1Br)Cc1ccc(C#N)cc1	ZINC000052825583	822812325	/nfs/dbraw/zinc/81/23/25/822812325.db2.gz	XFGYCFCXRIJXFT-UHFFFAOYSA-N	1	1	386.293	4.171	20	30		GIEDMO
Cc1c2cccc(C)c2oc1C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000053026579	822819175	/nfs/dbraw/zinc/81/91/75/822819175.db2.gz	IUJFGJOETBYCBO-UHFFFAOYSA-N	1	1	387.483	4.269	20	30		GIEDMO
Cc1c2cccc(C)c2oc1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000053026579	822819178	/nfs/dbraw/zinc/81/91/78/822819178.db2.gz	IUJFGJOETBYCBO-UHFFFAOYSA-N	1	1	387.483	4.269	20	30		GIEDMO
CCC[N@@H+](CC)CCNC(=O)c1ccccc1SCc1ccc(C#N)cc1	ZINC000174666142	822820848	/nfs/dbraw/zinc/82/08/48/822820848.db2.gz	NSRPPHYLPMQLQD-UHFFFAOYSA-N	1	1	381.545	4.312	20	30		GIEDMO
COc1ccc([C@@H](C)[N@H+](C)CC(=O)c2cn(CCC#N)c3ccccc23)cc1	ZINC000174815740	822841343	/nfs/dbraw/zinc/84/13/43/822841343.db2.gz	LXQVMITUHYSGOG-QGZVFWFLSA-N	1	1	375.472	4.439	20	30		GIEDMO
COc1ccc([C@@H](C)[N@@H+](C)CC(=O)c2cn(CCC#N)c3ccccc23)cc1	ZINC000174815740	822841347	/nfs/dbraw/zinc/84/13/47/822841347.db2.gz	LXQVMITUHYSGOG-QGZVFWFLSA-N	1	1	375.472	4.439	20	30		GIEDMO
C[C@@]1(Cc2ccccc2)CCC[N@H+]1CC(=O)Nc1ccccc1SCC#N	ZINC000186046214	822846996	/nfs/dbraw/zinc/84/69/96/822846996.db2.gz	LAIFTNFHQQBYNW-QFIPXVFZSA-N	1	1	379.529	4.338	20	30		GIEDMO
CCOc1c(Br)cc(C[NH2+][C@@H](CC)CC#N)cc1Br	ZINC000054183619	822866603	/nfs/dbraw/zinc/86/66/03/822866603.db2.gz	IANNGXNQDZYGKN-NSHDSACASA-N	1	1	390.119	4.392	20	30		GIEDMO
Cc1ccc(NC(=O)NC[C@@H]2CCC[N@@H+](Cc3ccc(C#N)cc3C)C2)cc1	ZINC000186286953	822870991	/nfs/dbraw/zinc/87/09/91/822870991.db2.gz	SLLOBLRTWPUTDQ-FQEVSTJZSA-N	1	1	376.504	4.209	20	30		GIEDMO
CCc1nc2c(s1)[C@H]([N@H+](C)[C@H]1CCCN(c3ccc(C#N)cc3)C1=O)CCC2	ZINC000569897970	822982974	/nfs/dbraw/zinc/98/29/74/822982974.db2.gz	SJFMCFURIQNFMG-MOPGFXCFSA-N	1	1	394.544	4.082	20	30		GIEDMO
CCc1nc2c(s1)[C@H]([N@@H+](C)[C@H]1CCCN(c3ccc(C#N)cc3)C1=O)CCC2	ZINC000569897970	822982977	/nfs/dbraw/zinc/98/29/77/822982977.db2.gz	SJFMCFURIQNFMG-MOPGFXCFSA-N	1	1	394.544	4.082	20	30		GIEDMO
C=C(C)Cn1c(-c2c[nH]c3ccccc32)nnc1N(C)[C@H]1CC[N@H+](CC)[C@H](C)C1	ZINC000460948459	823548726	/nfs/dbraw/zinc/54/87/26/823548726.db2.gz	WKRGESSPKAGLEE-MSOLQXFVSA-N	1	1	392.551	4.312	20	30		GIEDMO
CCC[N@@H+](Cc1ccc(C#N)cc1)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2	ZINC000411164558	823553426	/nfs/dbraw/zinc/55/34/26/823553426.db2.gz	HWVVCBYPSIUIGK-HNNXBMFYSA-N	1	1	392.528	4.219	20	30		GIEDMO
C=CC[N@H+](Cc1cccc(C#N)c1)[C@@H]1CCN([C@@H](C)c2ccc(F)cc2)C1=O	ZINC000411196508	823556359	/nfs/dbraw/zinc/55/63/59/823556359.db2.gz	UWIPMGXISSQTTI-HTAPYJJXSA-N	1	1	377.463	4.047	20	30		GIEDMO
C=CC[N@@H+](Cc1cccc(C#N)c1)[C@@H]1CCN([C@@H](C)c2ccc(F)cc2)C1=O	ZINC000411196508	823556362	/nfs/dbraw/zinc/55/63/62/823556362.db2.gz	UWIPMGXISSQTTI-HTAPYJJXSA-N	1	1	377.463	4.047	20	30		GIEDMO
C=CC[N@H+](Cc1cccc(C#N)c1)[C@@H]1CCN([C@H](C)c2ccc(F)cc2)C1=O	ZINC000411196510	823556405	/nfs/dbraw/zinc/55/64/05/823556405.db2.gz	UWIPMGXISSQTTI-VGOFRKELSA-N	1	1	377.463	4.047	20	30		GIEDMO
C=CC[N@@H+](Cc1cccc(C#N)c1)[C@@H]1CCN([C@H](C)c2ccc(F)cc2)C1=O	ZINC000411196510	823556408	/nfs/dbraw/zinc/55/64/08/823556408.db2.gz	UWIPMGXISSQTTI-VGOFRKELSA-N	1	1	377.463	4.047	20	30		GIEDMO
Cc1ccc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c2ccccc12	ZINC000411202680	823557128	/nfs/dbraw/zinc/55/71/28/823557128.db2.gz	WPHSRJOCIODFQK-UHFFFAOYSA-N	1	1	383.495	4.368	20	30		GIEDMO
CC[N@@H+](CC(=O)Nc1ccccc1SCC#N)Cc1c[nH]c2ccccc12	ZINC000190475770	823579183	/nfs/dbraw/zinc/57/91/83/823579183.db2.gz	QPCUFPQLBKERFR-UHFFFAOYSA-N	1	1	378.501	4.244	20	30		GIEDMO
C[C@H](c1cccc(N2CCCS2(=O)=O)c1)[N@@H+](C)CCC1(C#N)CCCCC1	ZINC000411577255	823589000	/nfs/dbraw/zinc/58/90/00/823589000.db2.gz	ZIDFAUYQCFPRSU-GOSISDBHSA-N	1	1	389.565	4.083	20	30		GIEDMO
C[C@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cc(Cl)sc1Cl	ZINC000190606848	823590928	/nfs/dbraw/zinc/59/09/28/823590928.db2.gz	BUVFVSUPZDQMRP-NHYWBVRUSA-N	1	1	394.327	4.378	20	30		GIEDMO
CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)c1cccc(COc2cccc(C#N)c2)c1	ZINC000461259026	823606622	/nfs/dbraw/zinc/60/66/22/823606622.db2.gz	AIADYCAVOINMNI-QFIPXVFZSA-N	1	1	391.515	4.084	20	30		GIEDMO
N#CCCCC[N@@H+]1CCC[C@H]1c1nc(-c2ccccc2Br)no1	ZINC000190781049	823608111	/nfs/dbraw/zinc/60/81/11/823608111.db2.gz	VJCFLKJABFFKIB-HNNXBMFYSA-N	1	1	375.270	4.330	20	30		GIEDMO
C=CCn1c(SCCCCn2cc[nH+]c2C)nnc1-c1ccc(OC)cc1	ZINC000124629667	823612607	/nfs/dbraw/zinc/61/26/07/823612607.db2.gz	SAGXVLCCBBXRJY-UHFFFAOYSA-N	1	1	383.521	4.217	20	30		GIEDMO
CCC[N@H+](CC(=O)Nc1ccc(Cl)cc1Cl)Cc1cc(C#N)n(C)c1	ZINC000191177202	823656690	/nfs/dbraw/zinc/65/66/90/823656690.db2.gz	HYFCMUGNAVGWEZ-UHFFFAOYSA-N	1	1	379.291	4.054	20	30		GIEDMO
CCC[N@@H+](CC(=O)Nc1ccc(Cl)cc1Cl)Cc1cc(C#N)n(C)c1	ZINC000191177202	823656691	/nfs/dbraw/zinc/65/66/91/823656691.db2.gz	HYFCMUGNAVGWEZ-UHFFFAOYSA-N	1	1	379.291	4.054	20	30		GIEDMO
C=CC[N@H+](CCC(=O)Nc1ccc(Cl)cc1F)Cc1cccc([N+](=O)[O-])c1	ZINC000063288184	823660210	/nfs/dbraw/zinc/66/02/10/823660210.db2.gz	RETJXJIDUHMZDW-UHFFFAOYSA-N	1	1	391.830	4.404	20	30		GIEDMO
CC[N@@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccc(F)cc1)C1CCCC1	ZINC000063505351	823676725	/nfs/dbraw/zinc/67/67/25/823676725.db2.gz	MCXHEHCLQFRLJK-UHFFFAOYSA-N	1	1	396.510	4.367	20	30		GIEDMO
N#Cc1c(NC(=O)CC[N@@H+]2CCC[C@@H]2Cc2cccc(F)c2)sc2c1CCC2	ZINC000063508015	823676936	/nfs/dbraw/zinc/67/69/36/823676936.db2.gz	YIQDDOOEPGOJTN-QGZVFWFLSA-N	1	1	397.519	4.283	20	30		GIEDMO
C/C=C/c1ccc(OC[C@@H](O)C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)c(OC)c1	ZINC000063750298	823693510	/nfs/dbraw/zinc/69/35/10/823693510.db2.gz	ZQHFULYODNWULU-BDNZGDGKSA-N	1	1	394.515	4.250	20	30		GIEDMO
COc1ccc([C@@H](NC(=O)C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)C(C)C)cc1	ZINC000063750821	823693516	/nfs/dbraw/zinc/69/35/16/823693516.db2.gz	XJOWNGZIANWCCK-DEOSSOPVSA-N	1	1	393.531	4.291	20	30		GIEDMO
CC(C)[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccc(C#N)cc1	ZINC000063750804	823693569	/nfs/dbraw/zinc/69/35/69/823693569.db2.gz	DZXRCSCGAAJRRL-UHFFFAOYSA-N	1	1	380.879	4.323	20	30		GIEDMO
C=C(C)C[C@@H](C)C(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1	ZINC000412977930	823696137	/nfs/dbraw/zinc/69/61/37/823696137.db2.gz	XWSLIUGCXSPXIN-OAHLLOKOSA-N	1	1	379.342	4.132	20	30		GIEDMO
CC[N@H+]1CCC[C@@H](CNC(=O)c2ccccc2Sc2ccccc2C#N)C1	ZINC000063852790	823702557	/nfs/dbraw/zinc/70/25/57/823702557.db2.gz	DMYZJPJKXSKHPL-KRWDZBQOSA-N	1	1	379.529	4.171	20	30		GIEDMO
N#CCC[C@H](C#N)CN1CC[NH+](Cc2ccc(-c3cccc(F)c3)s2)CC1	ZINC000125992106	823761981	/nfs/dbraw/zinc/76/19/81/823761981.db2.gz	RZZSINYLDDHVRZ-QGZVFWFLSA-N	1	1	382.508	4.115	20	30		GIEDMO
COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1Cl	ZINC000126194723	823809846	/nfs/dbraw/zinc/80/98/46/823809846.db2.gz	QOJOQDNTIDPUEG-CVEARBPZSA-N	1	1	385.895	4.335	20	30		GIEDMO
C[N@H+]1CCC[C@H]2CN(C(=O)Nc3ccc(Oc4ccccc4C#N)cc3)CC[C@@H]21	ZINC000165032758	823830994	/nfs/dbraw/zinc/83/09/94/823830994.db2.gz	YQIQNXFIEOGBFS-RXVVDRJESA-N	1	1	390.487	4.299	20	30		GIEDMO
COc1ccc(C#N)cc1NC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1	ZINC000064742887	823877731	/nfs/dbraw/zinc/87/77/31/823877731.db2.gz	QYRPKTKGSUIVGW-QGZVFWFLSA-N	1	1	392.503	4.120	20	30		GIEDMO
COc1ccc(C#N)cc1NC(=O)N1CC[NH+](Cc2ccc(C(C)C)cc2)CC1	ZINC000064743482	823877919	/nfs/dbraw/zinc/87/79/19/823877919.db2.gz	ZRZNOXDXXWUGGX-UHFFFAOYSA-N	1	1	392.503	4.040	20	30		GIEDMO
C[C@H](C(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1cccc(C#N)c1	ZINC000462434493	823973867	/nfs/dbraw/zinc/97/38/67/823973867.db2.gz	CXGKXLDESBWSIV-SIKLNZKXSA-N	1	1	375.516	4.080	20	30		GIEDMO
N#Cc1c(Cl)c2ccccc2nc1N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cccnc1	ZINC001164733614	720432934	/nfs/dbraw/zinc/43/29/34/720432934.db2.gz	PZYUXMSMJJEPBP-PMACEKPBSA-N	1	1	389.890	4.008	20	30		GIEDMO
N#Cc1cccc(N2CC[NH+](Cc3cnc(-c4ccc(Cl)cc4)s3)CC2)n1	ZINC000570668792	823069492	/nfs/dbraw/zinc/06/94/92/823069492.db2.gz	FRILFJOLWSIOIR-UHFFFAOYSA-N	1	1	395.919	4.052	20	30		GIEDMO
C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3cccc(SCC#N)c3)cc2)C1	ZINC000176014537	823096218	/nfs/dbraw/zinc/09/62/18/823096218.db2.gz	ZOGYHJNIKLHRNL-SFHVURJKSA-N	1	1	393.556	4.464	20	30		GIEDMO
N#CCc1ccc(OC[C@@H](O)C[N@H+]2CCCC[C@@H]2c2cc3ccccc3[nH]2)cc1	ZINC000121022290	823104329	/nfs/dbraw/zinc/10/43/29/823104329.db2.gz	XFIDLTMLXMNAEW-GBXCKJPGSA-N	1	1	389.499	4.201	20	30		GIEDMO
Cc1ccc(NC(=O)NC[C@H]2CCC[N@H+]([C@@H](C)c3cccc(C#N)c3)C2)cc1	ZINC000187666266	823109318	/nfs/dbraw/zinc/10/93/18/823109318.db2.gz	RUBIDXONUDGCAG-AZUAARDMSA-N	1	1	376.504	4.461	20	30		GIEDMO
C[C@H]1C[C@@H](NC(=O)c2cccc(SCC#N)c2)CC[N@H+]1Cc1ccccc1	ZINC000176099637	823119985	/nfs/dbraw/zinc/11/99/85/823119985.db2.gz	CVWXFPCTBSWZJW-PXNSSMCTSA-N	1	1	379.529	4.085	20	30		GIEDMO
C=CCCC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(C(=O)Nc2ccccc2OC)cc1	ZINC000121144936	823126754	/nfs/dbraw/zinc/12/67/54/823126754.db2.gz	FCRVLKXSDAMJDP-KRWDZBQOSA-N	1	1	395.503	4.173	20	30		GIEDMO
C=C(C)[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(F)c(F)c1	ZINC000187760606	823127427	/nfs/dbraw/zinc/12/74/27/823127427.db2.gz	GRZVKHKSIKHELK-GOSISDBHSA-N	1	1	395.793	4.372	20	30		GIEDMO
C=CCOc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1OC	ZINC000176137196	823132918	/nfs/dbraw/zinc/13/29/18/823132918.db2.gz	RDPLGAKRGIIIQH-WIYYLYMNSA-N	1	1	394.515	4.043	20	30		GIEDMO
C=C(C)[C@H]([NH2+]CC(=O)Nc1cc(C)nn1C(C)(C)C)c1ccc(F)c(F)c1	ZINC000187793399	823134071	/nfs/dbraw/zinc/13/40/71/823134071.db2.gz	UUUOPAOJDIVEOD-IBGZPJMESA-N	1	1	376.451	4.070	20	30		GIEDMO
C=C(C)C[NH+]1CCC(NCc2cn(C3CCCC3)nc2-c2ccccn2)CC1	ZINC000459407216	823186100	/nfs/dbraw/zinc/18/61/00/823186100.db2.gz	VESQEJICBVPDJB-UHFFFAOYSA-N	1	1	379.552	4.190	20	30		GIEDMO
CC(C)c1ccc(-c2ncc(C[N@@H+](C)CCCc3[nH]nc(N)c3C#N)s2)cc1	ZINC000121450668	823187060	/nfs/dbraw/zinc/18/70/60/823187060.db2.gz	YZIDICJWXBEZFN-UHFFFAOYSA-N	1	1	394.548	4.175	20	30		GIEDMO
C#CCOc1ccccc1NC(=O)N(CC)C[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000188121623	823189763	/nfs/dbraw/zinc/18/97/63/823189763.db2.gz	BIIKPVXSCHDHFZ-NRFANRHFSA-N	1	1	391.515	4.075	20	30		GIEDMO
CCC[N@H+](CC(=O)Nc1ccc(C(F)(F)F)cc1)Cc1ccc(C#N)cc1	ZINC000571823781	823240055	/nfs/dbraw/zinc/24/00/55/823240055.db2.gz	UDFQNWBPBZCBSX-UHFFFAOYSA-N	1	1	375.394	4.428	20	30		GIEDMO
CCC[N@@H+](CC(=O)Nc1ccc(C(F)(F)F)cc1)Cc1ccc(C#N)cc1	ZINC000571823781	823240061	/nfs/dbraw/zinc/24/00/61/823240061.db2.gz	UDFQNWBPBZCBSX-UHFFFAOYSA-N	1	1	375.394	4.428	20	30		GIEDMO
CC1(C)Oc2ccsc2[C@@H]([NH2+]Cc2ccc(C#N)cc2C(F)(F)F)[C@@H]1O	ZINC000459678752	823248900	/nfs/dbraw/zinc/24/89/00/823248900.db2.gz	BRAGCASGPSTQDF-ZBFHGGJFSA-N	1	1	382.407	4.001	20	30		GIEDMO
C=CCc1cc(C[N@@H+]2CCC[C@H](Oc3ccccc3OC)C2)cc(OC)c1O	ZINC000572081808	823280197	/nfs/dbraw/zinc/28/01/97/823280197.db2.gz	XNISVTSAZNGPDG-IBGZPJMESA-N	1	1	383.488	4.181	20	30		GIEDMO
N#CC[C@@H](CC(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1ccccc1	ZINC000572174261	823294694	/nfs/dbraw/zinc/29/46/94/823294694.db2.gz	HRPXXZKVNBCEDH-VWNXMTODSA-N	1	1	389.543	4.492	20	30		GIEDMO
C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)Cc1ccc(F)cc1	ZINC000008120296	818003274	/nfs/dbraw/zinc/00/32/74/818003274.db2.gz	YNZSWVBBTXRWMX-UHFFFAOYSA-N	1	1	385.508	4.488	20	30		GIEDMO
Cc1ccsc1C[N@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1	ZINC000014067869	818219889	/nfs/dbraw/zinc/21/98/89/818219889.db2.gz	LOSHBRBSTXOLPZ-UHFFFAOYSA-N	1	1	392.528	4.406	20	30		GIEDMO
Cc1ccsc1C[N@@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1	ZINC000014067869	818219895	/nfs/dbraw/zinc/21/98/95/818219895.db2.gz	LOSHBRBSTXOLPZ-UHFFFAOYSA-N	1	1	392.528	4.406	20	30		GIEDMO
N#CCc1ccc(NC(=O)C[NH2+][C@H](c2cccs2)c2ccc(F)cc2)cc1	ZINC000015358720	818317003	/nfs/dbraw/zinc/31/70/03/818317003.db2.gz	OXESYGYOWMLSML-NRFANRHFSA-N	1	1	379.460	4.271	20	30		GIEDMO
CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)[C@H](C)C1	ZINC000122255092	823328388	/nfs/dbraw/zinc/32/83/88/823328388.db2.gz	XBWQJAGNNABLBJ-IERDGZPVSA-N	1	1	395.478	4.292	20	30		GIEDMO
CCc1ccccc1NC(=S)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000017517690	818517960	/nfs/dbraw/zinc/51/79/60/818517960.db2.gz	UGFIBCIWHKFUGF-UHFFFAOYSA-N	1	1	378.545	4.025	20	30		GIEDMO
CC[N@H+]1CCC[C@H](CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)C1	ZINC000058276640	823374017	/nfs/dbraw/zinc/37/40/17/823374017.db2.gz	PUMXDESHNZUMOR-HXUWFJFHSA-N	1	1	393.556	4.312	20	30		GIEDMO
C=C(C)Cn1c(-c2ccccn2)nnc1N1CCC[N@@H+](CC2CCCCC2)CC1	ZINC000460390508	823373814	/nfs/dbraw/zinc/37/38/14/823373814.db2.gz	WRUGMQAIZXIYJJ-UHFFFAOYSA-N	1	1	394.567	4.009	20	30		GIEDMO
CN(C)c1ccccc1C[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCC2	ZINC000572757712	823393594	/nfs/dbraw/zinc/39/35/94/823393594.db2.gz	XJTZHGTYOBWUQE-UHFFFAOYSA-N	1	1	396.560	4.025	20	30		GIEDMO
Cc1ccc(C#N)cc1NC(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1	ZINC000058453224	823393794	/nfs/dbraw/zinc/39/37/94/823393794.db2.gz	LEZOUZHZSHJRCR-UHFFFAOYSA-N	1	1	382.895	4.260	20	30		GIEDMO
Cc1ccc(C#N)cc1NC(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1	ZINC000058453224	823393801	/nfs/dbraw/zinc/39/38/01/823393801.db2.gz	LEZOUZHZSHJRCR-UHFFFAOYSA-N	1	1	382.895	4.260	20	30		GIEDMO
N#Cc1ccccc1N1CCC[N@@H+](Cc2cc(Cl)c3c(c2)OCCCO3)CC1	ZINC000058580589	823412162	/nfs/dbraw/zinc/41/21/62/823412162.db2.gz	ARSQOHAYJQNMAC-UHFFFAOYSA-N	1	1	397.906	4.085	20	30		GIEDMO
N#Cc1ccccc1N1CCC[N@H+](Cc2cc(Cl)c3c(c2)OCCCO3)CC1	ZINC000058580589	823412165	/nfs/dbraw/zinc/41/21/65/823412165.db2.gz	ARSQOHAYJQNMAC-UHFFFAOYSA-N	1	1	397.906	4.085	20	30		GIEDMO
Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1	ZINC000122770283	823409250	/nfs/dbraw/zinc/40/92/50/823409250.db2.gz	BLUVYOJTIDGKCL-WOJBJXKFSA-N	1	1	375.497	4.028	20	30		GIEDMO
C=C(C)Cn1c(-c2cccnc2)nnc1N1CCC[N@@H+](CC2CCCCC2)CC1	ZINC000460546580	823427226	/nfs/dbraw/zinc/42/72/26/823427226.db2.gz	PTUWWRLNMZYYKT-UHFFFAOYSA-N	1	1	394.567	4.009	20	30		GIEDMO
C[C@H](c1ccccc1Br)[N@@H+](C)CCC(=O)Nc1ccccc1C#N	ZINC000122892038	823429651	/nfs/dbraw/zinc/42/96/51/823429651.db2.gz	WRDYLPJZQOJQQO-CQSZACIVSA-N	1	1	386.293	4.342	20	30		GIEDMO
C=CCn1c(C2CCC2)nnc1N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1	ZINC000573021101	823434625	/nfs/dbraw/zinc/43/46/25/823434625.db2.gz	KRZHOWVZPTUYBH-RXVVDRJESA-N	1	1	379.552	4.221	20	30		GIEDMO
C[C@H](CNC(=O)c1ccccc1-c1ccccc1C#N)[N@H+]1CCc2ccccc2C1	ZINC000025641167	820009848	/nfs/dbraw/zinc/00/98/48/820009848.db2.gz	WHFXJLSLGRLTPY-LJQANCHMSA-N	1	1	395.506	4.402	20	30		GIEDMO
CN(C(=O)C[NH2+][C@@H](c1cccs1)c1ccc(F)cc1)C1(C#N)CCCCC1	ZINC000025699137	820015551	/nfs/dbraw/zinc/01/55/51/820015551.db2.gz	UTTQLCMOJBEJOG-HXUWFJFHSA-N	1	1	385.508	4.251	20	30		GIEDMO
C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)Cc1cccc(C#N)c1	ZINC000026325032	820083062	/nfs/dbraw/zinc/08/30/62/820083062.db2.gz	LQPPMZWKCRSFEK-UHFFFAOYSA-N	1	1	392.528	4.221	20	30		GIEDMO
C[C@@H](c1ccc(F)cc1)[N@H+](C)CC(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000027897963	820294838	/nfs/dbraw/zinc/29/48/38/820294838.db2.gz	OBAGGWDQWFUDTC-HNNXBMFYSA-N	1	1	392.396	4.005	20	30		GIEDMO
C[C@@H](c1ccc(F)cc1)[N@@H+](C)CC(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000027897963	820294847	/nfs/dbraw/zinc/29/48/47/820294847.db2.gz	OBAGGWDQWFUDTC-HNNXBMFYSA-N	1	1	392.396	4.005	20	30		GIEDMO
CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@H](C)c2ccccc2Cl)cc1	ZINC000028955212	820377138	/nfs/dbraw/zinc/37/71/38/820377138.db2.gz	YERGGUSJYYHDPK-MRXNPFEDSA-N	1	1	385.895	4.336	20	30		GIEDMO
N#CC1(CCC[N@@H+]2CCO[C@@H](c3cccc(C(F)(F)F)c3)C2)CCOCC1	ZINC000410388543	823483555	/nfs/dbraw/zinc/48/35/55/823483555.db2.gz	KCZBKDUCOQYSFL-GOSISDBHSA-N	1	1	382.426	4.179	20	30		GIEDMO
N#CC1(CCC[N@H+]2CCO[C@@H](c3cccc(C(F)(F)F)c3)C2)CCOCC1	ZINC000410388543	823483559	/nfs/dbraw/zinc/48/35/59/823483559.db2.gz	KCZBKDUCOQYSFL-GOSISDBHSA-N	1	1	382.426	4.179	20	30		GIEDMO
N#CC1(CCC[N@@H+]2CCO[C@H](c3cccc(C(F)(F)F)c3)C2)CCOCC1	ZINC000410388546	823483737	/nfs/dbraw/zinc/48/37/37/823483737.db2.gz	KCZBKDUCOQYSFL-SFHVURJKSA-N	1	1	382.426	4.179	20	30		GIEDMO
N#CC1(CCC[N@H+]2CCO[C@H](c3cccc(C(F)(F)F)c3)C2)CCOCC1	ZINC000410388546	823483740	/nfs/dbraw/zinc/48/37/40/823483740.db2.gz	KCZBKDUCOQYSFL-SFHVURJKSA-N	1	1	382.426	4.179	20	30		GIEDMO
CCSc1ccccc1C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000029985829	820561108	/nfs/dbraw/zinc/56/11/08/820561108.db2.gz	KFCJSWBQKUXQCQ-UHFFFAOYSA-N	1	1	379.529	4.018	20	30		GIEDMO
CCSc1ccccc1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000029985829	820561116	/nfs/dbraw/zinc/56/11/16/820561116.db2.gz	KFCJSWBQKUXQCQ-UHFFFAOYSA-N	1	1	379.529	4.018	20	30		GIEDMO
N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)cc1	ZINC000059375719	823494250	/nfs/dbraw/zinc/49/42/50/823494250.db2.gz	HTWHKNYIWBTPKW-OXQOHEQNSA-N	1	1	391.298	4.442	20	30		GIEDMO
N#Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)cc1	ZINC000059375719	823494255	/nfs/dbraw/zinc/49/42/55/823494255.db2.gz	HTWHKNYIWBTPKW-OXQOHEQNSA-N	1	1	391.298	4.442	20	30		GIEDMO
C[C@@H]([NH2+]Cc1cc(C#N)cs1)c1cc2c(cc1Br)OCCO2	ZINC000177688059	823513772	/nfs/dbraw/zinc/51/37/72/823513772.db2.gz	DZZJMFPSVDNXIE-SNVBAGLBSA-N	1	1	379.279	4.004	20	30		GIEDMO
C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H]2c2ccc(OC)cc2)c(OC)c1	ZINC000032768843	821006213	/nfs/dbraw/zinc/00/62/13/821006213.db2.gz	WCLLCHHIAPGKIO-IRLDBZIGSA-N	1	1	397.515	4.009	20	30		GIEDMO
Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)Cn2cc[nH+]c2C(C)C)c1C#N	ZINC000123628907	823527369	/nfs/dbraw/zinc/52/73/69/823527369.db2.gz	LIHLBNCSSAQWDQ-UHFFFAOYSA-N	1	1	393.466	4.123	20	30		GIEDMO
CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	ZINC000177807324	823528265	/nfs/dbraw/zinc/52/82/65/823528265.db2.gz	RVGJJIQCKJHMQN-UXHICEINSA-N	1	1	390.487	4.441	20	30		GIEDMO
CC[N@@H+](CC(=O)NCc1cccc(COC(C)C)c1)[C@H](C)c1ccc(C#N)cc1	ZINC000060469445	823531716	/nfs/dbraw/zinc/53/17/16/823531716.db2.gz	HMSSNMHLWNXZAO-LJQANCHMSA-N	1	1	393.531	4.183	20	30		GIEDMO
CSc1cccc(NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1	ZINC000043157266	821370174	/nfs/dbraw/zinc/37/01/74/821370174.db2.gz	WFMWVOBRKNOOAP-UHFFFAOYSA-N	1	1	380.517	4.020	20	30		GIEDMO
Cc1oc(NC(=O)[C@H](C)[N@H+](C)Cc2ccccc2C(F)(F)F)c(C#N)c1C	ZINC000043644354	821435235	/nfs/dbraw/zinc/43/52/35/821435235.db2.gz	MDAXKWOWAPHWKK-LBPRGKRZSA-N	1	1	379.382	4.246	20	30		GIEDMO
Cc1oc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccccc2C(F)(F)F)c(C#N)c1C	ZINC000043644354	821435238	/nfs/dbraw/zinc/43/52/38/821435238.db2.gz	MDAXKWOWAPHWKK-LBPRGKRZSA-N	1	1	379.382	4.246	20	30		GIEDMO
CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc(C2(C#N)CC2)cc1	ZINC000181496642	821853782	/nfs/dbraw/zinc/85/37/82/821853782.db2.gz	XJYYTMAZNNEUBE-NRFANRHFSA-N	1	1	387.527	4.226	20	30		GIEDMO
C[N@H+]1CCCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CC1	ZINC000181500304	821855465	/nfs/dbraw/zinc/85/54/65/821855465.db2.gz	BCDATLCCYMPQKS-LJQANCHMSA-N	1	1	382.895	4.165	20	30		GIEDMO
C[C@@H]([NH2+]C1(CN[C@@H](C)c2ccc(OCC#N)cc2)CCOCC1)c1ccccc1	ZINC000181783927	821990711	/nfs/dbraw/zinc/99/07/11/821990711.db2.gz	MJHUAPVDEMQVMS-VQTJNVASSA-N	1	1	393.531	4.140	20	30		GIEDMO
CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccccc2Oc2ccccc2C#N)C1	ZINC000182060609	822077876	/nfs/dbraw/zinc/07/78/76/822077876.db2.gz	QRWVVCZAJXZBON-SFHVURJKSA-N	1	1	377.488	4.154	20	30		GIEDMO
C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1	ZINC000182914698	822391846	/nfs/dbraw/zinc/39/18/46/822391846.db2.gz	ISUWAJWCFWHFQW-AZUAARDMSA-N	1	1	385.552	4.046	20	30		GIEDMO
CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1	ZINC000182943306	822397468	/nfs/dbraw/zinc/39/74/68/822397468.db2.gz	NNQOXABPMYWITQ-WIYYLYMNSA-N	1	1	382.552	4.133	20	30		GIEDMO
C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N(C)Cc2ccc(C#N)cc2)C1	ZINC000045789358	822413912	/nfs/dbraw/zinc/41/39/12/822413912.db2.gz	AUNSFPDKSMFTNP-IBGZPJMESA-N	1	1	390.531	4.132	20	30		GIEDMO
C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NCc1ccc(C#N)c(F)c1	ZINC000454259030	822445038	/nfs/dbraw/zinc/44/50/38/822445038.db2.gz	CZAFKIYZYRGZAC-QGZVFWFLSA-N	1	1	394.494	4.071	20	30		GIEDMO
C[C@H](C(=O)N(c1nccs1)C1CCCCC1)[N@H+](C)Cc1cccc(C#N)c1	ZINC000046518377	822480501	/nfs/dbraw/zinc/48/05/01/822480501.db2.gz	VNYWXRHQQAZBOV-MRXNPFEDSA-N	1	1	382.533	4.201	20	30		GIEDMO
C[C@H](C(=O)N(c1nccs1)C1CCCCC1)[N@@H+](C)Cc1cccc(C#N)c1	ZINC000046518377	822480502	/nfs/dbraw/zinc/48/05/02/822480502.db2.gz	VNYWXRHQQAZBOV-MRXNPFEDSA-N	1	1	382.533	4.201	20	30		GIEDMO
C=CCc1ccc(OC[C@@H](O)C[N@H+]2CCc3sccc3[C@@H]2CC)c(OC)c1	ZINC000046866046	822525423	/nfs/dbraw/zinc/52/54/23/822525423.db2.gz	LJYDRQHDPRNBPF-HKUYNNGSSA-N	1	1	387.545	4.234	20	30		GIEDMO
COCCCC[N@@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)Cc1ccccc1	ZINC000179991148	822592012	/nfs/dbraw/zinc/59/20/12/822592012.db2.gz	HHDCQQCQPXUSTA-UHFFFAOYSA-N	1	1	388.515	4.388	20	30		GIEDMO
COc1cc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)ccc1OC(=O)C1CC1	ZINC000180029329	822600636	/nfs/dbraw/zinc/60/06/36/822600636.db2.gz	KOPBTJGCLZWSDH-UHFFFAOYSA-N	1	1	376.456	4.047	20	30		GIEDMO
CC[C@@H]([NH2+]CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1)c1nc(C)cs1	ZINC000184431941	822633725	/nfs/dbraw/zinc/63/37/25/822633725.db2.gz	FLCQCPMGOOURHC-QGZVFWFLSA-N	1	1	390.940	4.401	20	30		GIEDMO
CCc1nc(C)c([C@@H](C)[N@@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)s1	ZINC000180193077	822636488	/nfs/dbraw/zinc/63/64/88/822636488.db2.gz	DOCXBFZQYLIRPL-OAHLLOKOSA-N	1	1	379.533	4.479	20	30		GIEDMO
CN(C(=O)C[NH2+][C@@H](CC(F)(F)F)c1ccc(F)cc1)C1(C#N)CCCCC1	ZINC000180559229	822702320	/nfs/dbraw/zinc/70/23/20/822702320.db2.gz	IUCYXHMQKQFDPL-INIZCTEOSA-N	1	1	385.405	4.094	20	30		GIEDMO
CN(CCC#N)c1ccc(C[N@H+]2CCCCC[C@@H]2C[C@H](O)c2ccco2)cc1	ZINC000180620594	822714101	/nfs/dbraw/zinc/71/41/01/822714101.db2.gz	SQCDSGLHSWLGGU-YADHBBJMSA-N	1	1	381.520	4.498	20	30		GIEDMO
N#CCc1ccc(NC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(Cl)c1	ZINC000455725065	822714420	/nfs/dbraw/zinc/71/44/20/822714420.db2.gz	CRFIEOOJZKLWOE-SFHVURJKSA-N	1	1	382.895	4.050	20	30		GIEDMO
CC(C)Oc1cccc(NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1	ZINC000455765851	822722436	/nfs/dbraw/zinc/72/24/36/822722436.db2.gz	DEMGDSBUMYEBCA-UHFFFAOYSA-N	1	1	392.503	4.085	20	30		GIEDMO
CCN(C(=O)Nc1cccc(CC#N)c1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1	ZINC000455917956	822749188	/nfs/dbraw/zinc/74/91/88/822749188.db2.gz	KOVUMJPNKFBLAQ-AVRDEDQJSA-N	1	1	376.504	4.442	20	30		GIEDMO
C[C@@H](C#N)Oc1ccc(C[NH2+]Cc2ccccc2CN(C)Cc2ccco2)cc1	ZINC000174451021	822791474	/nfs/dbraw/zinc/79/14/74/822791474.db2.gz	HVAAWLOGQWQHAU-IBGZPJMESA-N	1	1	389.499	4.492	20	30		GIEDMO
CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H]2c2cccc(F)c2)cc1	ZINC000052454644	822800307	/nfs/dbraw/zinc/80/03/07/822800307.db2.gz	XTHBEQPDONRUIS-JOCHJYFZSA-N	1	1	395.478	4.308	20	30		GIEDMO
CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H]2c2cccc(F)c2)cc1	ZINC000052454644	822800312	/nfs/dbraw/zinc/80/03/12/822800312.db2.gz	XTHBEQPDONRUIS-JOCHJYFZSA-N	1	1	395.478	4.308	20	30		GIEDMO
C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)Cc1ccc(Cl)nc1	ZINC000174583612	822808287	/nfs/dbraw/zinc/80/82/87/822808287.db2.gz	OXEPKWWHDSYFIF-UHFFFAOYSA-N	1	1	388.924	4.008	20	30		GIEDMO
C[N@@H+](CCCOc1ccc(Cl)cc1)CCC(=O)Nc1sccc1C#N	ZINC000053681232	822844820	/nfs/dbraw/zinc/84/48/20/822844820.db2.gz	HEEACCMFZGLUFB-UHFFFAOYSA-N	1	1	377.897	4.003	20	30		GIEDMO
CC(C)[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)C1	ZINC000457103279	822853345	/nfs/dbraw/zinc/85/33/45/822853345.db2.gz	ARJGERZVEZTPIU-HXUWFJFHSA-N	1	1	377.488	4.100	20	30		GIEDMO
CC[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccc(C#N)cc1C	ZINC000186164185	822857331	/nfs/dbraw/zinc/85/73/31/822857331.db2.gz	CSCADMKFSDJYFU-UHFFFAOYSA-N	1	1	375.394	4.346	20	30		GIEDMO
CC[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccc(C#N)cc1C	ZINC000186164185	822857333	/nfs/dbraw/zinc/85/73/33/822857333.db2.gz	CSCADMKFSDJYFU-UHFFFAOYSA-N	1	1	375.394	4.346	20	30		GIEDMO
Cc1cc(C#N)ccc1Oc1ccc(C(=O)NCCCC[N@H+](C)C2CC2)cc1	ZINC000457174761	822859032	/nfs/dbraw/zinc/85/90/32/822859032.db2.gz	WQODGFIJBCAOBU-UHFFFAOYSA-N	1	1	377.488	4.263	20	30		GIEDMO
CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1	ZINC000054537607	822893891	/nfs/dbraw/zinc/89/38/91/822893891.db2.gz	XHJWTEDRFLGVOC-UHFFFAOYSA-N	1	1	392.503	4.085	20	30		GIEDMO
C=C(C)[C@H]([NH2+][C@H](C)c1cccc(S(=O)(=O)N(C)C)c1)c1ccc(F)c(F)c1	ZINC000186447441	822897265	/nfs/dbraw/zinc/89/72/65/822897265.db2.gz	MYWLKUNFELEEPR-VLIAUNLRSA-N	1	1	394.487	4.183	20	30		GIEDMO
C=C(C)[C@@H]([NH2+][C@@H](C)c1ccccc1OCC(=O)OC)c1ccc(F)c(F)c1	ZINC000186449752	822897608	/nfs/dbraw/zinc/89/76/08/822897608.db2.gz	ZVJIPZCIEDTRRM-LHSJRXKWSA-N	1	1	375.415	4.485	20	30		GIEDMO
C=C(C)[C@@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(F)c(F)c1	ZINC000186455361	822898241	/nfs/dbraw/zinc/89/82/41/822898241.db2.gz	SVJITEZYZGPLMH-VBKZILBWSA-N	1	1	394.487	4.183	20	30		GIEDMO
CC[C@@H](C)Oc1ccc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1	ZINC000175185213	822900191	/nfs/dbraw/zinc/90/01/91/822900191.db2.gz	GSGLTHJCUWLCAU-LJQANCHMSA-N	1	1	391.515	4.084	20	30		GIEDMO
CC[C@@H](C)Oc1ccc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1	ZINC000175185213	822900197	/nfs/dbraw/zinc/90/01/97/822900197.db2.gz	GSGLTHJCUWLCAU-LJQANCHMSA-N	1	1	391.515	4.084	20	30		GIEDMO
CCC[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1ccc(F)cc1	ZINC000569395493	822916050	/nfs/dbraw/zinc/91/60/50/822916050.db2.gz	YKKPXDNKBRTNGF-UHFFFAOYSA-N	1	1	385.508	4.488	20	30		GIEDMO
C=CCn1c(-c2ccncc2)nn(C[N@H+]2CC[C@H](c3ccccc3)[C@H]2C)c1=S	ZINC000175270462	822920610	/nfs/dbraw/zinc/92/06/10/822920610.db2.gz	NRRLJFIYWUFCDL-XLIONFOSSA-N	1	1	391.544	4.498	20	30		GIEDMO
C=CCn1c(-c2ccncc2)nn(C[N@@H+]2CC[C@H](c3ccccc3)[C@H]2C)c1=S	ZINC000175270462	822920614	/nfs/dbraw/zinc/92/06/14/822920614.db2.gz	NRRLJFIYWUFCDL-XLIONFOSSA-N	1	1	391.544	4.498	20	30		GIEDMO
COc1ccc(F)cc1[C@H](C)[NH2+][C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000055152476	822941293	/nfs/dbraw/zinc/94/12/93/822941293.db2.gz	CIBRPDQUHZKGKW-RYUDHWBXSA-N	1	1	375.831	4.037	20	30		GIEDMO
COc1cc2cc[nH+]c(NC3CCC(Oc4ncccc4C#N)CC3)c2cc1F	ZINC000569643627	822949270	/nfs/dbraw/zinc/94/92/70/822949270.db2.gz	OIOJROPBMJWVQB-UHFFFAOYSA-N	1	1	392.434	4.451	20	30		GIEDMO
CCCCOc1ccc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1	ZINC000055309700	822950640	/nfs/dbraw/zinc/95/06/40/822950640.db2.gz	WTYUMBZMEAJOCO-UHFFFAOYSA-N	1	1	391.515	4.085	20	30		GIEDMO
CCCCOc1ccc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1	ZINC000055309700	822950644	/nfs/dbraw/zinc/95/06/44/822950644.db2.gz	WTYUMBZMEAJOCO-UHFFFAOYSA-N	1	1	391.515	4.085	20	30		GIEDMO
N#CCc1ccc(NC(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c(Cl)c1	ZINC000570138325	823009566	/nfs/dbraw/zinc/00/95/66/823009566.db2.gz	GDWYSFSOYFZOME-KDURUIRLSA-N	1	1	394.906	4.002	20	30		GIEDMO
C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1ccc(Sc2ccccc2C#N)cc1	ZINC000175774528	823037120	/nfs/dbraw/zinc/03/71/20/823037120.db2.gz	HGJGLLOQSSHZOO-UZLBHIALSA-N	1	1	379.529	4.122	20	30		GIEDMO
C=C(C)Cn1c(CSc2ccc(C)cc2)nnc1N(C)[C@@H]1CC[N@H+](C2CC2)C1	ZINC000460963582	823551756	/nfs/dbraw/zinc/55/17/56/823551756.db2.gz	YTWAFYLQRHKAEI-LJQANCHMSA-N	1	1	397.592	4.128	20	30		GIEDMO
C[C@@H]1C[C@@H](N(C)C(=O)c2ccccc2Sc2ccccc2C#N)CC[N@H+]1C	ZINC000123950970	823554468	/nfs/dbraw/zinc/55/44/68/823554468.db2.gz	DYMIPJGTSAVGSA-AEFFLSMTSA-N	1	1	379.529	4.264	20	30		GIEDMO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@@H]3C[C@H]3c3ccc(Cl)cc3)CC2)cc1	ZINC000411196786	823556370	/nfs/dbraw/zinc/55/63/70/823556370.db2.gz	FIKCCQAOHBRPAO-FCHUYYIVSA-N	1	1	393.918	4.050	20	30		GIEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H]3C[C@H]3c3ccc(Cl)cc3)CC2)cc1	ZINC000411196786	823556373	/nfs/dbraw/zinc/55/63/73/823556373.db2.gz	FIKCCQAOHBRPAO-FCHUYYIVSA-N	1	1	393.918	4.050	20	30		GIEDMO
Cc1cccn2cc(C[NH2+]Cc3cccc(OCc4ccccc4C#N)c3)nc12	ZINC000124029039	823561189	/nfs/dbraw/zinc/56/11/89/823561189.db2.gz	HJVZKXXEVYYINJ-UHFFFAOYSA-N	1	1	382.467	4.383	20	30		GIEDMO
C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1	ZINC000060882254	823564570	/nfs/dbraw/zinc/56/45/70/823564570.db2.gz	NJHWREHNUCCNNR-QZTJIDSGSA-N	1	1	377.488	4.339	20	30		GIEDMO
C[C@H]1CCCC[N@H+]1CCCNCc1cccc(OCc2cccc(C#N)c2)c1	ZINC000060960618	823569640	/nfs/dbraw/zinc/56/96/40/823569640.db2.gz	LAJZGTQMLDYGNN-FQEVSTJZSA-N	1	1	377.532	4.491	20	30		GIEDMO
CCC[N@@H+](CC(=O)N(C)Cc1ccc(SC)cc1)Cc1ccc(C#N)cc1	ZINC000061001762	823572042	/nfs/dbraw/zinc/57/20/42/823572042.db2.gz	GMHRNINFRYINHN-UHFFFAOYSA-N	1	1	381.545	4.151	20	30		GIEDMO
CN(CC[C@H]1CCCC[N@H+]1C)C(=O)c1cccc(COc2cccc(C#N)c2)c1	ZINC000461259025	823606631	/nfs/dbraw/zinc/60/66/31/823606631.db2.gz	AIADYCAVOINMNI-JOCHJYFZSA-N	1	1	391.515	4.084	20	30		GIEDMO
CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)C1	ZINC000124741658	823622548	/nfs/dbraw/zinc/62/25/48/823622548.db2.gz	UHMYUYCVEBMHPB-IBGZPJMESA-N	1	1	377.488	4.073	20	30		GIEDMO
COc1ccc(C[N@H+](C)[C@H](C)C(=O)N(CCC#N)c2ccccc2)cc1Cl	ZINC000412042678	823624051	/nfs/dbraw/zinc/62/40/51/823624051.db2.gz	OIWUPNOZGYYSRV-MRXNPFEDSA-N	1	1	385.895	4.116	20	30		GIEDMO
COc1ccc(C[N@@H+](C)[C@H](C)C(=O)N(CCC#N)c2ccccc2)cc1Cl	ZINC000412042678	823624053	/nfs/dbraw/zinc/62/40/53/823624053.db2.gz	OIWUPNOZGYYSRV-MRXNPFEDSA-N	1	1	385.895	4.116	20	30		GIEDMO
CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1	ZINC000412155265	823631062	/nfs/dbraw/zinc/63/10/62/823631062.db2.gz	JLSSTMGKRDISRD-OEMFJLHTSA-N	1	1	387.527	4.032	20	30		GIEDMO
N#Cc1ccccc1Oc1ccc(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)cc1Cl	ZINC000124988483	823643041	/nfs/dbraw/zinc/64/30/41/823643041.db2.gz	ANTJYZLCVKRNOX-OAHLLOKOSA-N	1	1	395.890	4.218	20	30		GIEDMO
N#Cc1ccc([C@@H](O)C[N@@H+](Cc2csc(Br)c2)C2CC2)cc1	ZINC000125204949	823659085	/nfs/dbraw/zinc/65/90/85/823659085.db2.gz	MQRJEPMOVYAKIB-INIZCTEOSA-N	1	1	377.307	4.080	20	30		GIEDMO
C=CC[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1cccc([N+](=O)[O-])c1	ZINC000063288201	823660201	/nfs/dbraw/zinc/66/02/01/823660201.db2.gz	STPTYCRLFARGJY-UHFFFAOYSA-N	1	1	398.850	4.137	20	30		GIEDMO
N#Cc1ccccc1NC(=O)CC[N@H+](CCC(F)(F)F)Cc1ccccc1	ZINC000191242026	823662538	/nfs/dbraw/zinc/66/25/38/823662538.db2.gz	NEZSKOVESMVSTQ-UHFFFAOYSA-N	1	1	375.394	4.341	20	30		GIEDMO
COc1ccc([C@@H]([NH2+]CC(=O)NC2(C#N)CCCCC2)c2ccc(C)cc2)cc1	ZINC000063479279	823675135	/nfs/dbraw/zinc/67/51/35/823675135.db2.gz	FHYKUPBQOHWVQP-QHCPKHFHSA-N	1	1	391.515	4.025	20	30		GIEDMO
CCC[N@H+](Cc1ccc(C#N)cc1)C[C@@H](O)COc1cccc(C(F)(F)F)c1	ZINC000063504331	823676606	/nfs/dbraw/zinc/67/66/06/823676606.db2.gz	RNWLPXGSEJREGG-LJQANCHMSA-N	1	1	392.421	4.229	20	30		GIEDMO
N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCC[C@@H]1c1ccncc1)CCCCC2	ZINC000125482598	823679813	/nfs/dbraw/zinc/67/98/13/823679813.db2.gz	MGMRQOPYORBUFG-LJQANCHMSA-N	1	1	394.544	4.449	20	30		GIEDMO
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1	ZINC000191470831	823688633	/nfs/dbraw/zinc/68/86/33/823688633.db2.gz	MQGYHOOGLPMAKC-GOSISDBHSA-N	1	1	385.552	4.256	20	30		GIEDMO
COC(=O)[C@H](C)Oc1ccc(/C=C/C(=O)c2ccc(-n3cc[nH+]c3C)cc2)cc1	ZINC000125607524	823689501	/nfs/dbraw/zinc/68/95/01/823689501.db2.gz	LJOSZHQQOJVKRZ-XNWJVHIKSA-N	1	1	390.439	4.017	20	30		GIEDMO
CC(C)(C)[N@H+]1CCCN(C(=O)c2cccc(OCc3ccccc3C#N)c2)CC1	ZINC000063727621	823692144	/nfs/dbraw/zinc/69/21/44/823692144.db2.gz	DCWJWPFLWFRUOT-UHFFFAOYSA-N	1	1	391.515	4.084	20	30		GIEDMO
N#Cc1ccccc1Oc1ccc(NC(=O)c2cc(C[NH+]3CCCC3)on2)cc1	ZINC000461920251	823755492	/nfs/dbraw/zinc/75/54/92/823755492.db2.gz	ISDOBIBCNRVUDH-UHFFFAOYSA-N	1	1	388.427	4.187	20	30		GIEDMO
N#Cc1ccc([C@@H](O)C[N@H+](CCCO)C(c2ccccc2)c2ccccc2)cc1	ZINC000126026537	823769446	/nfs/dbraw/zinc/76/94/46/823769446.db2.gz	BAUSONAOYNFXRB-DEOSSOPVSA-N	1	1	386.495	4.066	20	30		GIEDMO
C[C@H]1CN(C(=O)N[C@@H](CCCC#N)c2ccccc2)CC[N@@H+]1Cc1ccccc1	ZINC000413576172	823800098	/nfs/dbraw/zinc/80/00/98/823800098.db2.gz	LVFXXUUPCURIRI-REWPJTCUSA-N	1	1	390.531	4.337	20	30		GIEDMO
C[C@H]1CN(C(=O)N[C@@H](CCCC#N)c2ccccc2)CC[N@H+]1Cc1ccccc1	ZINC000413576172	823800102	/nfs/dbraw/zinc/80/01/02/823800102.db2.gz	LVFXXUUPCURIRI-REWPJTCUSA-N	1	1	390.531	4.337	20	30		GIEDMO
COc1ccc(C[NH2+]CC(C)(C)N2C[C@H](C)C[C@@H](C)C2)cc1OCCCC#N	ZINC000064614278	823853104	/nfs/dbraw/zinc/85/31/04/823853104.db2.gz	RLMBSYLIEKJIEU-RTBURBONSA-N	1	1	387.568	4.224	20	30		GIEDMO
C[C@H](C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1)c1cccc(C#N)c1	ZINC000462239671	823890914	/nfs/dbraw/zinc/89/09/14/823890914.db2.gz	ZQQCFDPUPJXPHC-WUMKDDEVSA-N	1	1	387.527	4.175	20	30		GIEDMO
C[C@@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CCS1	ZINC000192178722	823893735	/nfs/dbraw/zinc/89/37/35/823893735.db2.gz	QMWSKNDLWKGTDN-CQSZACIVSA-N	1	1	377.579	4.045	20	30		GIEDMO
N#Cc1ccncc1N1CC[NH+](Cc2c(OC(F)F)ccc3ccccc32)CC1	ZINC000575114254	823916224	/nfs/dbraw/zinc/91/62/24/823916224.db2.gz	OTIHYTDTEKBRTG-UHFFFAOYSA-N	1	1	394.425	4.030	20	30		GIEDMO
CC(C)CCc1nc(CN2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cs1	ZINC000065040201	823928679	/nfs/dbraw/zinc/92/86/79/823928679.db2.gz	SREHHONWQYNTCS-UHFFFAOYSA-N	1	1	382.577	4.311	20	30		GIEDMO
CC1(C)CC[N@@H+](CC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C1	ZINC000575879038	824018528	/nfs/dbraw/zinc/01/85/28/824018528.db2.gz	HJFMMOFXRAOHBF-UHFFFAOYSA-N	1	1	377.488	4.002	20	30		GIEDMO
Cc1cccc(OCC[N@@H+](C)CC(=O)Nc2ccccc2SC[C@@H](C)C#N)c1	ZINC000170983622	824027813	/nfs/dbraw/zinc/02/78/13/824027813.db2.gz	MTMYCFFJBXCAQK-SFHVURJKSA-N	1	1	397.544	4.196	20	30		GIEDMO
Cc1cccc(OCC[N@H+](C)CC(=O)Nc2ccccc2SC[C@@H](C)C#N)c1	ZINC000170983622	824027818	/nfs/dbraw/zinc/02/78/18/824027818.db2.gz	MTMYCFFJBXCAQK-SFHVURJKSA-N	1	1	397.544	4.196	20	30		GIEDMO