smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[C@H](N[C@@H](C)c1ccc(C#N)cc1)c1cccc(Cl)c1	ZINC000036921448	330313794	/nfs/dbraw/zinc/31/37/94/330313794.db2.gz	DSCROFJIAMDSAM-UGSOOPFHSA-N	0	3	298.817	5.014	20	30		CKEDHN
CC[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1cccc(Cl)c1	ZINC000036921449	330313844	/nfs/dbraw/zinc/31/38/44/330313844.db2.gz	DSCROFJIAMDSAM-SCLBCKFNSA-N	0	3	298.817	5.014	20	30		CKEDHN
CC[C@H](N[C@H](C)c1ccc(C#N)cc1)c1cccc(Cl)c1	ZINC000036921450	330313872	/nfs/dbraw/zinc/31/38/72/330313872.db2.gz	DSCROFJIAMDSAM-ACJLOTCBSA-N	0	3	298.817	5.014	20	30		CKEDHN
CC[C@@H](N[C@H](C)c1ccc(C#N)cc1)c1cccc(Cl)c1	ZINC000036921451	330313916	/nfs/dbraw/zinc/31/39/16/330313916.db2.gz	DSCROFJIAMDSAM-FZKQIMNGSA-N	0	3	298.817	5.014	20	30		CKEDHN
CC[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1ccc(Cl)cc1	ZINC000036979256	333448626	/nfs/dbraw/zinc/44/86/26/333448626.db2.gz	VAYGWXAIIJNLOA-SCLBCKFNSA-N	0	3	298.817	5.014	20	30		CKEDHN
CC[C@@H](N[C@H](C)c1ccc(C#N)cc1)c1ccc(Cl)cc1	ZINC000036979259	333448681	/nfs/dbraw/zinc/44/86/81/333448681.db2.gz	VAYGWXAIIJNLOA-FZKQIMNGSA-N	0	3	298.817	5.014	20	30		CKEDHN
CC[C@H](N[C@@H](C)c1cccc(C#N)c1)c1cccc(Cl)c1	ZINC000037272153	333528105	/nfs/dbraw/zinc/52/81/05/333528105.db2.gz	SFUWVEREPLNXFH-UGSOOPFHSA-N	0	3	298.817	5.014	20	30		CKEDHN
CC[C@@H](N[C@@H](C)c1cccc(C#N)c1)c1cccc(Cl)c1	ZINC000037272155	333528033	/nfs/dbraw/zinc/52/80/33/333528033.db2.gz	SFUWVEREPLNXFH-SCLBCKFNSA-N	0	3	298.817	5.014	20	30		CKEDHN
CC[C@H](N[C@H](C)c1cccc(C#N)c1)c1cccc(Cl)c1	ZINC000037272158	333528025	/nfs/dbraw/zinc/52/80/25/333528025.db2.gz	SFUWVEREPLNXFH-ACJLOTCBSA-N	0	3	298.817	5.014	20	30		CKEDHN
CC[C@@H](N[C@@H](C)c1cccc(C#N)c1)c1ccc(Cl)cc1	ZINC000037283072	333530652	/nfs/dbraw/zinc/53/06/52/333530652.db2.gz	RCKYYNRTBVLQLW-SCLBCKFNSA-N	0	3	298.817	5.014	20	30		CKEDHN
CC[C@H](N[C@H](C)c1cccc(C#N)c1)c1ccc(Cl)cc1	ZINC000037283073	333530609	/nfs/dbraw/zinc/53/06/09/333530609.db2.gz	RCKYYNRTBVLQLW-ACJLOTCBSA-N	0	3	298.817	5.014	20	30		CKEDHN
CC[C@@H](N[C@H](C)c1cccc(C#N)c1)c1ccc(Cl)cc1	ZINC000037283074	333530624	/nfs/dbraw/zinc/53/06/24/333530624.db2.gz	RCKYYNRTBVLQLW-FZKQIMNGSA-N	0	3	298.817	5.014	20	30		CKEDHN
CCC[C@H](N[C@@H](CCC#N)c1ccccc1)c1ccccc1	ZINC000090664468	330394542	/nfs/dbraw/zinc/39/45/42/330394542.db2.gz	SUTWCUQVKIZODB-PMACEKPBSA-N	0	3	292.426	5.162	20	30		CKEDHN
CCC[C@@H](N[C@@H](CCC#N)c1ccccc1)c1ccccc1	ZINC000090664469	330394532	/nfs/dbraw/zinc/39/45/32/330394532.db2.gz	SUTWCUQVKIZODB-UXHICEINSA-N	0	3	292.426	5.162	20	30		CKEDHN
CCC[C@H](N[C@H](CCC#N)c1ccccc1)c1ccccc1	ZINC000090664470	330394527	/nfs/dbraw/zinc/39/45/27/330394527.db2.gz	SUTWCUQVKIZODB-VQTJNVASSA-N	0	3	292.426	5.162	20	30		CKEDHN
CCC[C@@H](N[C@H](CCC#N)c1ccccc1)c1ccccc1	ZINC000090664472	330394437	/nfs/dbraw/zinc/39/44/37/330394437.db2.gz	SUTWCUQVKIZODB-WOJBJXKFSA-N	0	3	292.426	5.162	20	30		CKEDHN
CC[C@H](N[C@@H](CCC#N)c1ccccc1)c1ccc(C)cc1	ZINC000090665589	330394547	/nfs/dbraw/zinc/39/45/47/330394547.db2.gz	UKDDKDFPXDYJGN-PMACEKPBSA-N	0	3	292.426	5.081	20	30		CKEDHN
CC[C@@H](N[C@@H](CCC#N)c1ccccc1)c1ccc(C)cc1	ZINC000090665590	330394668	/nfs/dbraw/zinc/39/46/68/330394668.db2.gz	UKDDKDFPXDYJGN-UXHICEINSA-N	0	3	292.426	5.081	20	30		CKEDHN
CC[C@H](N[C@H](CCC#N)c1ccccc1)c1ccc(C)cc1	ZINC000090665591	330394663	/nfs/dbraw/zinc/39/46/63/330394663.db2.gz	UKDDKDFPXDYJGN-VQTJNVASSA-N	0	3	292.426	5.081	20	30		CKEDHN
CC[C@@H](N[C@H](CCC#N)c1ccccc1)c1ccc(C)cc1	ZINC000090665592	330394685	/nfs/dbraw/zinc/39/46/85/330394685.db2.gz	UKDDKDFPXDYJGN-WOJBJXKFSA-N	0	3	292.426	5.081	20	30		CKEDHN
CC(C)c1ccc([C@@H](C)N[C@@H](C)c2ccc(C#N)cc2)cc1	ZINC000195613872	331178413	/nfs/dbraw/zinc/17/84/13/331178413.db2.gz	LWUIWWSTDVMDOV-JKSUJKDBSA-N	0	3	292.426	5.093	20	30		CKEDHN
CC(C)c1ccc([C@H](C)N[C@@H](C)c2ccc(C#N)cc2)cc1	ZINC000195613873	331178394	/nfs/dbraw/zinc/17/83/94/331178394.db2.gz	LWUIWWSTDVMDOV-HOTGVXAUSA-N	0	3	292.426	5.093	20	30		CKEDHN
CC(C)c1ccc([C@@H](C)N[C@H](C)c2ccc(C#N)cc2)cc1	ZINC000195613874	331178365	/nfs/dbraw/zinc/17/83/65/331178365.db2.gz	LWUIWWSTDVMDOV-HZPDHXFCSA-N	0	3	292.426	5.093	20	30		CKEDHN
CC(C)c1ccc([C@H](C)N[C@H](C)c2ccc(C#N)cc2)cc1	ZINC000195613876	331178335	/nfs/dbraw/zinc/17/83/35/331178335.db2.gz	LWUIWWSTDVMDOV-CVEARBPZSA-N	0	3	292.426	5.093	20	30		CKEDHN
C[C@H](c1ccccc1Cl)N(C)CCCCC(C)(C)C#N	ZINC000235167974	333366494	/nfs/dbraw/zinc/36/64/94/333366494.db2.gz	UHUKGZIFTUXYIC-CQSZACIVSA-N	0	3	292.854	5.053	20	30		CKEDHN
C[C@@H](c1ccccc1Cl)N(C)CCCCC(C)(C)C#N	ZINC000235467197	333370033	/nfs/dbraw/zinc/37/00/33/333370033.db2.gz	UHUKGZIFTUXYIC-AWEZNQCLSA-N	0	3	292.854	5.053	20	30		CKEDHN
CC[C@H](N[C@H](CCCC#N)c1ccccc1)c1cccs1	ZINC000340440401	263149641	/nfs/dbraw/zinc/14/96/41/263149641.db2.gz	CIDYABHDTMJAJH-DLBZAZTESA-N	0	3	298.455	5.224	20	30		CKEDHN
CC[C@@H](N[C@H](CCCC#N)c1ccccc1)c1cccs1	ZINC000340440412	263148424	/nfs/dbraw/zinc/14/84/24/263148424.db2.gz	CIDYABHDTMJAJH-IAGOWNOFSA-N	0	3	298.455	5.224	20	30		CKEDHN
CC[C@H](N[C@@H](CCCC#N)c1ccccc1)c1cccs1	ZINC000340440420	328277588	/nfs/dbraw/zinc/27/75/88/328277588.db2.gz	CIDYABHDTMJAJH-IRXDYDNUSA-N	0	3	298.455	5.224	20	30		CKEDHN
CC[C@@H](N[C@@H](CCCC#N)c1ccccc1)c1cccs1	ZINC000340440455	328277558	/nfs/dbraw/zinc/27/75/58/328277558.db2.gz	CIDYABHDTMJAJH-SJORKVTESA-N	0	3	298.455	5.224	20	30		CKEDHN
Cc1cccc([C@H](C)N[C@H](CCCC#N)c2ccccc2)c1	ZINC000340444248	328278289	/nfs/dbraw/zinc/27/82/89/328278289.db2.gz	HLUDPZFTTFVXBO-FXAWDEMLSA-N	0	3	292.426	5.081	20	30		CKEDHN
Cc1cccc([C@H](C)N[C@@H](CCCC#N)c2ccccc2)c1	ZINC000340444250	328278231	/nfs/dbraw/zinc/27/82/31/328278231.db2.gz	HLUDPZFTTFVXBO-PXNSSMCTSA-N	0	3	292.426	5.081	20	30		CKEDHN
Cc1cccc([C@@H](C)N[C@@H](CCCC#N)c2ccccc2)c1	ZINC000340444251	328278307	/nfs/dbraw/zinc/27/83/07/328278307.db2.gz	HLUDPZFTTFVXBO-XLIONFOSSA-N	0	3	292.426	5.081	20	30		CKEDHN
Cc1cccc([C@@H](C)N[C@H](CCCC#N)c2ccccc2)c1	ZINC000340444252	328278212	/nfs/dbraw/zinc/27/82/12/328278212.db2.gz	HLUDPZFTTFVXBO-YLJYHZDGSA-N	0	3	292.426	5.081	20	30		CKEDHN
Cc1ccc([C@H](C)N[C@H](CCCC#N)c2ccccc2)cc1	ZINC000340444747	263152833	/nfs/dbraw/zinc/15/28/33/263152833.db2.gz	JDPJWRKBKSAMPJ-FXAWDEMLSA-N	0	3	292.426	5.081	20	30		CKEDHN
Cc1ccc([C@H](C)N[C@@H](CCCC#N)c2ccccc2)cc1	ZINC000340444749	263152829	/nfs/dbraw/zinc/15/28/29/263152829.db2.gz	JDPJWRKBKSAMPJ-PXNSSMCTSA-N	0	3	292.426	5.081	20	30		CKEDHN
Cc1ccc([C@@H](C)N[C@@H](CCCC#N)c2ccccc2)cc1	ZINC000340444750	263152676	/nfs/dbraw/zinc/15/26/76/263152676.db2.gz	JDPJWRKBKSAMPJ-XLIONFOSSA-N	0	3	292.426	5.081	20	30		CKEDHN
Cc1ccc([C@@H](C)N[C@H](CCCC#N)c2ccccc2)cc1	ZINC000340444751	263152598	/nfs/dbraw/zinc/15/25/98/263152598.db2.gz	JDPJWRKBKSAMPJ-YLJYHZDGSA-N	0	3	292.426	5.081	20	30		CKEDHN
Cc1ccccc1[C@H](C)N[C@H](CCCC#N)c1ccccc1	ZINC000340449749	263155701	/nfs/dbraw/zinc/15/57/01/263155701.db2.gz	WQRHNILMLCLOGK-FXAWDEMLSA-N	0	3	292.426	5.081	20	30		CKEDHN
Cc1ccccc1[C@H](C)N[C@@H](CCCC#N)c1ccccc1	ZINC000340449750	263155699	/nfs/dbraw/zinc/15/56/99/263155699.db2.gz	WQRHNILMLCLOGK-PXNSSMCTSA-N	0	3	292.426	5.081	20	30		CKEDHN
Cc1ccccc1[C@@H](C)N[C@@H](CCCC#N)c1ccccc1	ZINC000340449751	263155743	/nfs/dbraw/zinc/15/57/43/263155743.db2.gz	WQRHNILMLCLOGK-XLIONFOSSA-N	0	3	292.426	5.081	20	30		CKEDHN
Cc1ccccc1[C@@H](C)N[C@H](CCCC#N)c1ccccc1	ZINC000340449752	263155654	/nfs/dbraw/zinc/15/56/54/263155654.db2.gz	WQRHNILMLCLOGK-YLJYHZDGSA-N	0	3	292.426	5.081	20	30		CKEDHN
Cc1ccsc1[C@H](C)N[C@H](CCCC#N)c1ccccc1	ZINC000340450356	263154692	/nfs/dbraw/zinc/15/46/92/263154692.db2.gz	MNRQDBWKRAGRFH-DOTOQJQBSA-N	0	3	298.455	5.142	20	30		CKEDHN
Cc1ccsc1[C@@H](C)N[C@H](CCCC#N)c1ccccc1	ZINC000340450366	263154659	/nfs/dbraw/zinc/15/46/59/263154659.db2.gz	MNRQDBWKRAGRFH-NVXWUHKLSA-N	0	3	298.455	5.142	20	30		CKEDHN
Cc1ccsc1[C@H](C)N[C@@H](CCCC#N)c1ccccc1	ZINC000340450375	263155110	/nfs/dbraw/zinc/15/51/10/263155110.db2.gz	MNRQDBWKRAGRFH-RDJZCZTQSA-N	0	3	298.455	5.142	20	30		CKEDHN
Cc1ccsc1[C@@H](C)N[C@@H](CCCC#N)c1ccccc1	ZINC000340450380	263155071	/nfs/dbraw/zinc/15/50/71/263155071.db2.gz	MNRQDBWKRAGRFH-WBVHZDCISA-N	0	3	298.455	5.142	20	30		CKEDHN
Cc1ccc([C@H](C)N[C@H](CCCC#N)c2ccccc2)s1	ZINC000340461436	263161253	/nfs/dbraw/zinc/16/12/53/263161253.db2.gz	ZHGZZLDXNMNBFR-DOTOQJQBSA-N	0	3	298.455	5.142	20	30		CKEDHN
Cc1ccc([C@@H](C)N[C@H](CCCC#N)c2ccccc2)s1	ZINC000340461437	263161396	/nfs/dbraw/zinc/16/13/96/263161396.db2.gz	ZHGZZLDXNMNBFR-NVXWUHKLSA-N	0	3	298.455	5.142	20	30		CKEDHN
Cc1ccc([C@H](C)N[C@@H](CCCC#N)c2ccccc2)s1	ZINC000340461438	263161439	/nfs/dbraw/zinc/16/14/39/263161439.db2.gz	ZHGZZLDXNMNBFR-RDJZCZTQSA-N	0	3	298.455	5.142	20	30		CKEDHN
Cc1ccc([C@@H](C)N[C@@H](CCCC#N)c2ccccc2)s1	ZINC000340461444	263161382	/nfs/dbraw/zinc/16/13/82/263161382.db2.gz	ZHGZZLDXNMNBFR-WBVHZDCISA-N	0	3	298.455	5.142	20	30		CKEDHN
CC[C@H](N[C@@H](CCC#N)c1ccccc1)c1cccc(C)c1	ZINC000353633038	529654299	/nfs/dbraw/zinc/65/42/99/529654299.db2.gz	RPNAEZAFZZQAAW-PMACEKPBSA-N	0	3	292.426	5.081	20	30		CKEDHN
CC[C@@H](N[C@@H](CCC#N)c1ccccc1)c1cccc(C)c1	ZINC000353633139	529201070	/nfs/dbraw/zinc/20/10/70/529201070.db2.gz	RPNAEZAFZZQAAW-UXHICEINSA-N	0	3	292.426	5.081	20	30		CKEDHN
CC[C@H](N[C@H](CCC#N)c1ccccc1)c1cccc(C)c1	ZINC000353633140	529668018	/nfs/dbraw/zinc/66/80/18/529668018.db2.gz	RPNAEZAFZZQAAW-VQTJNVASSA-N	0	3	292.426	5.081	20	30		CKEDHN
CC[C@@H](N[C@H](CCC#N)c1ccccc1)c1cccc(C)c1	ZINC000353633141	529206508	/nfs/dbraw/zinc/20/65/08/529206508.db2.gz	RPNAEZAFZZQAAW-WOJBJXKFSA-N	0	3	292.426	5.081	20	30		CKEDHN
C=CCC[C@H](N[C@@H]1CCCc2sccc21)c1ccco1	ZINC000353674280	527486815	/nfs/dbraw/zinc/48/68/15/527486815.db2.gz	UJIDXFPPNQOANS-CABCVRRESA-N	0	3	287.428	5.016	20	30		CKEDHN
C=CCC[C@H](N[C@H]1CCCc2sccc21)c1ccco1	ZINC000353674287	263374028	/nfs/dbraw/zinc/37/40/28/263374028.db2.gz	UJIDXFPPNQOANS-GJZGRUSLSA-N	0	3	287.428	5.016	20	30		CKEDHN
C=CCC[C@@H](N[C@@H]1CCCc2sccc21)c1ccco1	ZINC000353674290	263373692	/nfs/dbraw/zinc/37/36/92/263373692.db2.gz	UJIDXFPPNQOANS-HUUCEWRRSA-N	0	3	287.428	5.016	20	30		CKEDHN
C=CCC[C@@H](N[C@H]1CCCc2sccc21)c1ccco1	ZINC000353674292	263373632	/nfs/dbraw/zinc/37/36/32/263373632.db2.gz	UJIDXFPPNQOANS-LSDHHAIUSA-N	0	3	287.428	5.016	20	30		CKEDHN
CC(C)c1ccc([C@@H](C)N[C@@H](C)c2cccc(C#N)c2)cc1	ZINC000386028364	336164878	/nfs/dbraw/zinc/16/48/78/336164878.db2.gz	QWXFRUGTICRLEX-CVEARBPZSA-N	0	3	292.426	5.093	20	30		CKEDHN
CC(C)c1ccc([C@H](C)N[C@@H](C)c2cccc(C#N)c2)cc1	ZINC000386028365	336164871	/nfs/dbraw/zinc/16/48/71/336164871.db2.gz	QWXFRUGTICRLEX-HOTGVXAUSA-N	0	3	292.426	5.093	20	30		CKEDHN
CC(C)c1ccc([C@@H](C)N[C@H](C)c2cccc(C#N)c2)cc1	ZINC000386028366	336164883	/nfs/dbraw/zinc/16/48/83/336164883.db2.gz	QWXFRUGTICRLEX-HZPDHXFCSA-N	0	3	292.426	5.093	20	30		CKEDHN
CC(C)c1ccc([C@H](C)N[C@H](C)c2cccc(C#N)c2)cc1	ZINC000386028367	336164728	/nfs/dbraw/zinc/16/47/28/336164728.db2.gz	QWXFRUGTICRLEX-JKSUJKDBSA-N	0	3	292.426	5.093	20	30		CKEDHN
CC[C@@H](N[C@H](C)c1cccc(Cl)c1)c1ccc(C#N)cc1	ZINC000447510891	330867348	/nfs/dbraw/zinc/86/73/48/330867348.db2.gz	QYNHDNJSNGURBJ-FZKQIMNGSA-N	0	3	298.817	5.014	20	30		CKEDHN
CCC[C@@H](N[C@H](CC)c1ccc(C#N)cc1)c1ccccc1	ZINC000447510977	330867353	/nfs/dbraw/zinc/86/73/53/330867353.db2.gz	RHMQWVXUFCSDLY-WOJBJXKFSA-N	0	3	292.426	5.140	20	30		CKEDHN
Cc1cc([C@@H](C)N[C@H](CCCC#N)c2ccccc2)cs1	ZINC000453232193	331104570	/nfs/dbraw/zinc/10/45/70/331104570.db2.gz	HIUJOKRPTLYJQB-CRAIPNDOSA-N	0	3	298.455	5.142	20	30		CKEDHN
Cc1cc([C@H](C)N[C@H](CCCC#N)c2ccccc2)cs1	ZINC000453232194	331104584	/nfs/dbraw/zinc/10/45/84/331104584.db2.gz	HIUJOKRPTLYJQB-MAUKXSAKSA-N	0	3	298.455	5.142	20	30		CKEDHN
Cc1cc([C@@H](C)N[C@@H](CCCC#N)c2ccccc2)cs1	ZINC000453232195	331104558	/nfs/dbraw/zinc/10/45/58/331104558.db2.gz	HIUJOKRPTLYJQB-QAPCUYQASA-N	0	3	298.455	5.142	20	30		CKEDHN
Cc1cc([C@H](C)N[C@@H](CCCC#N)c2ccccc2)cs1	ZINC000453232196	331104634	/nfs/dbraw/zinc/10/46/34/331104634.db2.gz	HIUJOKRPTLYJQB-YJBOKZPZSA-N	0	3	298.455	5.142	20	30		CKEDHN
CC[C@@H](N[C@@H](CCCC#N)c1ccccc1)c1ccsc1	ZINC000453235939	331105080	/nfs/dbraw/zinc/10/50/80/331105080.db2.gz	JSPGYNCIRGVFIK-MSOLQXFVSA-N	0	3	298.455	5.224	20	30		CKEDHN
CC[C@@H](N[C@H](CCCC#N)c1ccccc1)c1ccsc1	ZINC000453235941	331105172	/nfs/dbraw/zinc/10/51/72/331105172.db2.gz	JSPGYNCIRGVFIK-QZTJIDSGSA-N	0	3	298.455	5.224	20	30		CKEDHN
CC[C@H](N[C@@H](CCCC#N)c1ccccc1)c1ccsc1	ZINC000453235942	331105177	/nfs/dbraw/zinc/10/51/77/331105177.db2.gz	JSPGYNCIRGVFIK-ROUUACIJSA-N	0	3	298.455	5.224	20	30		CKEDHN
CC[C@H](N[C@H](CCCC#N)c1ccccc1)c1ccsc1	ZINC000453235943	331105108	/nfs/dbraw/zinc/10/51/08/331105108.db2.gz	JSPGYNCIRGVFIK-ZWKOTPCHSA-N	0	3	298.455	5.224	20	30		CKEDHN
C=CCC[C@H](NCc1cc(Cl)cs1)c1ccccc1	ZINC000487554288	331973861	/nfs/dbraw/zinc/97/38/61/331973861.db2.gz	RYZCLTZROLTABQ-INIZCTEOSA-N	0	3	291.847	5.199	20	30		CKEDHN
C=CCC[C@H](N[C@H](C)c1ncccc1CC)c1ccccc1	ZINC000507463498	332807172	/nfs/dbraw/zinc/80/71/72/332807172.db2.gz	UDJZDLYPNHSYGK-APWZRJJASA-N	0	3	294.442	5.002	20	30		CKEDHN
C=CCC[C@H](N[C@@H](C)c1ncccc1CC)c1ccccc1	ZINC000507463499	332807229	/nfs/dbraw/zinc/80/72/29/332807229.db2.gz	UDJZDLYPNHSYGK-LPHOPBHVSA-N	0	3	294.442	5.002	20	30		CKEDHN
C=CCC[C@@H](N[C@@H](C)c1ncccc1CC)c1ccccc1	ZINC000507463500	332807252	/nfs/dbraw/zinc/80/72/52/332807252.db2.gz	UDJZDLYPNHSYGK-QFBILLFUSA-N	0	3	294.442	5.002	20	30		CKEDHN
C=CCC[C@H](NCc1csc2ccccc12)c1ccco1	ZINC000513665169	333030730	/nfs/dbraw/zinc/03/07/30/333030730.db2.gz	CBKCHDUNZFDEEX-INIZCTEOSA-N	0	3	297.423	5.291	20	30		CKEDHN
C=CCC[C@@H](NCc1csc2ccccc12)c1ccco1	ZINC000513665170	333030629	/nfs/dbraw/zinc/03/06/29/333030629.db2.gz	CBKCHDUNZFDEEX-MRXNPFEDSA-N	0	3	297.423	5.291	20	30		CKEDHN
C=CCC[C@H](N[C@H](C)c1ccsc1)c1ccccc1	ZINC000536833625	330229842	/nfs/dbraw/zinc/22/98/42/330229842.db2.gz	QCLLMZMZLNWGQG-PBHICJAKSA-N	0	3	271.429	5.106	20	30		CKEDHN
C=CCC[C@@H](N[C@H](C)c1ccsc1)c1ccccc1	ZINC000536833636	330229782	/nfs/dbraw/zinc/22/97/82/330229782.db2.gz	QCLLMZMZLNWGQG-RHSMWYFYSA-N	0	3	271.429	5.106	20	30		CKEDHN
C=CCC[C@@H](N[C@@H](C)c1ccsc1)c1ccccc1	ZINC000536833637	330229591	/nfs/dbraw/zinc/22/95/91/330229591.db2.gz	QCLLMZMZLNWGQG-WMLDXEAASA-N	0	3	271.429	5.106	20	30		CKEDHN
C=CCC[C@H](N[C@@H](C)c1ccsc1)c1ccccc1	ZINC000536833639	330229699	/nfs/dbraw/zinc/22/96/99/330229699.db2.gz	QCLLMZMZLNWGQG-YOEHRIQHSA-N	0	3	271.429	5.106	20	30		CKEDHN
C=CCC[C@H](N[C@@H](C)c1ccc(OC)cc1)c1ccccc1	ZINC000536841832	330236487	/nfs/dbraw/zinc/23/64/87/330236487.db2.gz	XBRXTFKXLSALFE-JXFKEZNVSA-N	0	3	295.426	5.053	20	30		CKEDHN
C=CCC[C@@H](N[C@@H](C)c1ccc(OC)cc1)c1ccccc1	ZINC000536841855	330236396	/nfs/dbraw/zinc/23/63/96/330236396.db2.gz	XBRXTFKXLSALFE-OXJNMPFZSA-N	0	3	295.426	5.053	20	30		CKEDHN
C=CCC[C@@H](N[C@H](C)c1ccc(OC)cc1)c1ccccc1	ZINC000536841858	330236358	/nfs/dbraw/zinc/23/63/58/330236358.db2.gz	XBRXTFKXLSALFE-OXQOHEQNSA-N	0	3	295.426	5.053	20	30		CKEDHN
C=CCC[C@H](N[C@H](C)c1ccc(OC)cc1)c1ccccc1	ZINC000536841861	330236370	/nfs/dbraw/zinc/23/63/70/330236370.db2.gz	XBRXTFKXLSALFE-UZLBHIALSA-N	0	3	295.426	5.053	20	30		CKEDHN
CC(C)C[C@@H](N[C@H](C)c1cccc(C#N)c1)c1cccs1	ZINC000538392914	333588122	/nfs/dbraw/zinc/58/81/22/333588122.db2.gz	CLEPCLZPJVUVSK-RHSMWYFYSA-N	0	3	298.455	5.058	20	30		CKEDHN
CC(C)C[C@@H](N[C@@H](C)c1cccc(C#N)c1)c1cccs1	ZINC000538392915	333587989	/nfs/dbraw/zinc/58/79/89/333587989.db2.gz	CLEPCLZPJVUVSK-WMLDXEAASA-N	0	3	298.455	5.058	20	30		CKEDHN
C=CCC[C@H](N[C@H](C)c1cccs1)c1ccccc1	ZINC000539054513	326930191	/nfs/dbraw/zinc/93/01/91/326930191.db2.gz	QIUOBMACHDFFLD-ZBFHGGJFSA-N	0	3	271.429	5.106	20	30		CKEDHN
CC(C)C[C@H](N[C@H](C)c1ccc(C#N)cc1)c1cccs1	ZINC000539494949	333674008	/nfs/dbraw/zinc/67/40/08/333674008.db2.gz	XKZBNIIUCUHFTG-PBHICJAKSA-N	0	3	298.455	5.058	20	30		CKEDHN
CC(C)C[C@@H](N[C@H](C)c1ccc(C#N)cc1)c1cccs1	ZINC000539494950	333673985	/nfs/dbraw/zinc/67/39/85/333673985.db2.gz	XKZBNIIUCUHFTG-RHSMWYFYSA-N	0	3	298.455	5.058	20	30		CKEDHN
CC(C)C[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1cccs1	ZINC000539494951	333674177	/nfs/dbraw/zinc/67/41/77/333674177.db2.gz	XKZBNIIUCUHFTG-WMLDXEAASA-N	0	3	298.455	5.058	20	30		CKEDHN
C=CCC[C@@H](N[C@@H](C)c1cccc(OC)c1)c1ccccc1	ZINC000540147731	333712950	/nfs/dbraw/zinc/71/29/50/333712950.db2.gz	WDDWIBYJGKGVGO-OXJNMPFZSA-N	0	3	295.426	5.053	20	30		CKEDHN
C=CCC[C@@H](N[C@H](C)c1cccc(OC)c1)c1ccccc1	ZINC000540147732	333712995	/nfs/dbraw/zinc/71/29/95/333712995.db2.gz	WDDWIBYJGKGVGO-OXQOHEQNSA-N	0	3	295.426	5.053	20	30		CKEDHN
C=CCC[C@H](N[C@H](C)c1ccccc1OC)c1ccccc1	ZINC000540151390	333713688	/nfs/dbraw/zinc/71/36/88/333713688.db2.gz	OSMFSNNUILAOER-APWZRJJASA-N	0	3	295.426	5.053	20	30		CKEDHN
C=CCC[C@@H](NCc1cc2ccccc2s1)c1ccco1	ZINC000556218654	334500746	/nfs/dbraw/zinc/50/07/46/334500746.db2.gz	YCBAVNSPRYUZGG-MRXNPFEDSA-N	0	3	297.423	5.291	20	30		CKEDHN
C=CCC[C@H](N[C@@H](C)c1ccccc1)c1ccccc1	ZINC000557282730	326999989	/nfs/dbraw/zinc/99/99/89/326999989.db2.gz	UWCVKLQORNCKCN-LPHOPBHVSA-N	0	3	265.400	5.045	20	30		CKEDHN
C=CCC[C@@H](N[C@@H](C)c1ccccc1)c1ccccc1	ZINC000557282731	327000018	/nfs/dbraw/zinc/00/00/18/327000018.db2.gz	UWCVKLQORNCKCN-QFBILLFUSA-N	0	3	265.400	5.045	20	30		CKEDHN
C=CCC[C@@H](N[C@H](C)c1ccccc1)c1ccccc1	ZINC000557282733	327000175	/nfs/dbraw/zinc/00/01/75/327000175.db2.gz	UWCVKLQORNCKCN-VQIMIIECSA-N	0	3	265.400	5.045	20	30		CKEDHN
C=CCC[C@H](NCc1sccc1Cl)c1ccccc1	ZINC000558850845	327126765	/nfs/dbraw/zinc/12/67/65/327126765.db2.gz	LVQNDLRZZRJLTK-HNNXBMFYSA-N	0	3	291.847	5.199	20	30		CKEDHN
C=CCC[C@@H](NCc1sccc1Cl)c1ccccc1	ZINC000558850846	327126732	/nfs/dbraw/zinc/12/67/32/327126732.db2.gz	LVQNDLRZZRJLTK-OAHLLOKOSA-N	0	3	291.847	5.199	20	30		CKEDHN
CC[C@@H](N[C@@H](C)c1cc(C)sc1C)c1ccc(C#N)cc1	ZINC000584093184	326946772	/nfs/dbraw/zinc/94/67/72/326946772.db2.gz	MEEKLIGGTIGYDN-SCLBCKFNSA-N	0	3	298.455	5.039	20	30		CKEDHN
CC[C@H](N[C@@H](C)c1cc(C)sc1C)c1ccc(C#N)cc1	ZINC000584093185	326946866	/nfs/dbraw/zinc/94/68/66/326946866.db2.gz	MEEKLIGGTIGYDN-UGSOOPFHSA-N	0	3	298.455	5.039	20	30		CKEDHN