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](C)N(CC(=O)Nc1ccccc1C(F)(F)F)C[C@@H](C)CCC#N	ZINC000602431921	567979652	/nfs/dbraw/zinc/97/96/52/567979652.db2.gz	GNWDBBINDLWFKS-GJZGRUSLSA-N	0	3	369.431	4.684	20	30		FJEDHN
COc1ccc(-c2csc(CN[C@@H](C)CC3(C#N)CCOCC3)c2)cc1	ZINC000602572000	567996231	/nfs/dbraw/zinc/99/62/31/567996231.db2.gz	INMFALHPBTUOQN-INIZCTEOSA-N	0	3	370.518	4.612	20	30		FJEDHN
C[C@@H](N[C@H]1CCCCc2cc(C#N)ccc21)c1cnn(Cc2ccccc2)c1	ZINC000481645056	568080546	/nfs/dbraw/zinc/08/05/46/568080546.db2.gz	NDLMQMHVEBTDJT-KOSHJBKYSA-N	0	3	370.500	4.921	20	30		FJEDHN
N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@@H]1CCCOc2ccc(F)cc21	ZINC000481665353	568083741	/nfs/dbraw/zinc/08/37/41/568083741.db2.gz	CKMQFAMPLILVND-LEWJYISDSA-N	0	3	350.437	4.968	20	30		FJEDHN
N#Cc1ccc2c(c1)CCCC[C@@H]2NCc1cccc(OCC(F)F)c1	ZINC000481667584	568083862	/nfs/dbraw/zinc/08/38/62/568083862.db2.gz	JUGATHUPMUZLRQ-FQEVSTJZSA-N	0	3	356.416	4.759	20	30		FJEDHN
CC[C@@H](CN(CC)Cc1nnc(-c2cccc(C#N)c2)o1)c1ccccc1	ZINC000481731355	568098257	/nfs/dbraw/zinc/09/82/57/568098257.db2.gz	DZLUYVRRLYOYBQ-SFHVURJKSA-N	0	3	360.461	4.624	20	30		FJEDHN
COC[C@H](N[C@@H]1CCCCc2cc(C#N)ccc21)c1ccc(Cl)cc1	ZINC000481997932	568219689	/nfs/dbraw/zinc/21/96/89/568219689.db2.gz	JMHNAGHPPOOOCA-RTWAWAEBSA-N	0	3	354.881	4.956	20	30		FJEDHN
C=CCOc1ccc(CN[C@@H](CN2CCCC2)c2ccccc2)cc1Cl	ZINC000303211015	568258245	/nfs/dbraw/zinc/25/82/45/568258245.db2.gz	RHYRVKXXWQCIEJ-NRFANRHFSA-N	0	3	370.924	4.832	20	30		FJEDHN
C=CC[C@@H](C)N[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1	ZINC000604890638	568381785	/nfs/dbraw/zinc/38/17/85/568381785.db2.gz	DSRLZASTQAEAMU-KDOFPFPSSA-N	0	3	362.395	4.939	20	30		FJEDHN
COc1ccc(CN[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1O	ZINC000541994820	568387432	/nfs/dbraw/zinc/38/74/32/568387432.db2.gz	CGYPAVOGFWHEBY-MRXNPFEDSA-N	0	3	358.441	4.790	20	30		FJEDHN
CO[C@@H](c1ccc(F)cc1)[C@H](C)NCc1ccc(C#N)cc1C(F)(F)F	ZINC000569704186	568413044	/nfs/dbraw/zinc/41/30/44/568413044.db2.gz	HRPLEKRXVNCKRT-KPZWWZAWSA-N	0	3	366.358	4.582	20	30		FJEDHN
C[C@@H](NCc1ccc(C#N)c(F)c1)c1ccc(OCc2cccnc2)cc1	ZINC000570340369	568467507	/nfs/dbraw/zinc/46/75/07/568467507.db2.gz	WHTUOZWYMIYRHS-MRXNPFEDSA-N	0	3	361.420	4.522	20	30		FJEDHN
C[C@@H](N[C@H](C)[C@H](OC1CCOCC1)c1ccccc1)c1ccc(C#N)cc1	ZINC000182046785	568677806	/nfs/dbraw/zinc/67/78/06/568677806.db2.gz	HDTYGEMENZGOBX-PNCHPQGNSA-N	0	3	364.489	4.534	20	30		FJEDHN
CC[C@@H](C)N(CC(=O)Nc1ccccc1C(F)(F)F)C[C@H](C)CCC#N	ZINC000602431922	567979681	/nfs/dbraw/zinc/97/96/81/567979681.db2.gz	GNWDBBINDLWFKS-HUUCEWRRSA-N	0	3	369.431	4.684	20	30		FJEDHN
COc1ccc2ccccc2c1-c1cc(CNC2CCC(C#N)CC2)on1	ZINC000602587423	567994442	/nfs/dbraw/zinc/99/44/42/567994442.db2.gz	GVWOXVPQMNQNOV-UHFFFAOYSA-N	0	3	361.445	4.675	20	30		FJEDHN
N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1	ZINC000481650398	568080625	/nfs/dbraw/zinc/08/06/25/568080625.db2.gz	NOTWUZFPTZQPND-BDTNDASRSA-N	0	3	368.427	4.724	20	30		FJEDHN
CN(C)c1cc(CN[C@H]2CCCCc3cc(C#N)ccc32)c2ccccc2n1	ZINC000481652171	568080667	/nfs/dbraw/zinc/08/06/67/568080667.db2.gz	GCHNJGYKUYDYNJ-QFIPXVFZSA-N	0	3	370.500	4.730	20	30		FJEDHN
CCOc1ccc(CN[C@@H]2CCCCc3cc(C#N)ccc32)cc1OC	ZINC000481669954	568081151	/nfs/dbraw/zinc/08/11/51/568081151.db2.gz	NMMAFBQCVFHLQM-HXUWFJFHSA-N	0	3	350.462	4.523	20	30		FJEDHN
N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@H]1CCCOc2ccc(F)cc21	ZINC000481665357	568083388	/nfs/dbraw/zinc/08/33/88/568083388.db2.gz	CKMQFAMPLILVND-SFTDATJTSA-N	0	3	350.437	4.968	20	30		FJEDHN
N#Cc1ccc2c(c1)CCCC[C@H]2N[C@@H]1CCCOc2ccc(F)cc21	ZINC000481665354	568083671	/nfs/dbraw/zinc/08/36/71/568083671.db2.gz	CKMQFAMPLILVND-NHCUHLMSSA-N	0	3	350.437	4.968	20	30		FJEDHN
N#Cc1ccc2c(c1)CCCC[C@H]2N[C@@H](c1ccc2c(c1)OCCO2)C1CC1	ZINC000481680249	568084895	/nfs/dbraw/zinc/08/48/95/568084895.db2.gz	YIVCKXBZNFANRM-ZJSXRUAMSA-N	0	3	374.484	4.838	20	30		FJEDHN
COc1ccc(OC)c([C@H](C)N[C@@H]2CCCCc3cc(C#N)ccc32)c1	ZINC000481677714	568085459	/nfs/dbraw/zinc/08/54/59/568085459.db2.gz	LRMDTWCCBWVLGB-YCRPNKLZSA-N	0	3	350.462	4.694	20	30		FJEDHN
COc1cc(CN[C@@H]2CCCCc3cc(C#N)ccc32)c2ccccc2n1	ZINC000481679966	568085802	/nfs/dbraw/zinc/08/58/02/568085802.db2.gz	WJQJLESGAQTITA-OAQYLSRUSA-N	0	3	357.457	4.672	20	30		FJEDHN
N#Cc1ccc2c(c1)CCCC[C@@H]2NCc1ccc(N2CCCCCC2)nc1	ZINC000481912624	568178312	/nfs/dbraw/zinc/17/83/12/568178312.db2.gz	AXWBCFGXDNBQSS-QHCPKHFHSA-N	0	3	374.532	4.891	20	30		FJEDHN
Cc1nn(C(C)(C)C)cc1[C@H](C)N[C@H]1CCCCc2cc(C#N)ccc21	ZINC000481987174	568215705	/nfs/dbraw/zinc/21/57/05/568215705.db2.gz	BDAHXMGAHYJAOX-BTYIYWSLSA-N	0	3	350.510	4.937	20	30		FJEDHN
N#Cc1ccccc1-c1ccc(CN[C@@H](c2nnc[nH]2)C2CCCCC2)cc1	ZINC000569648157	568411385	/nfs/dbraw/zinc/41/13/85/568411385.db2.gz	KOSLFYVLJFVURK-JOCHJYFZSA-N	0	3	371.488	4.755	20	30		FJEDHN
COc1ccc(-c2csc(CN[C@H](C)CC3(C#N)CCOCC3)c2)cc1	ZINC000602572005	567996205	/nfs/dbraw/zinc/99/62/05/567996205.db2.gz	INMFALHPBTUOQN-MRXNPFEDSA-N	0	3	370.518	4.612	20	30		FJEDHN
N#Cc1ccc2c(c1)CCCC[C@H]2NCc1ccc(Br)s1	ZINC000481647323	568080335	/nfs/dbraw/zinc/08/03/35/568080335.db2.gz	SYKGQBKREJXZSU-MRXNPFEDSA-N	0	3	361.308	4.940	20	30		FJEDHN
COC(=O)CC[C@H](N[C@H]1CCCCc2cc(C#N)ccc21)c1ccccc1	ZINC000481653016	568080528	/nfs/dbraw/zinc/08/05/28/568080528.db2.gz	SXXZOAQELOUILH-VXKWHMMOSA-N	0	3	362.473	4.610	20	30		FJEDHN
N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1	ZINC000481644853	568080566	/nfs/dbraw/zinc/08/05/66/568080566.db2.gz	ULSWARMCRGSTKP-ZRBLBEILSA-N	0	3	364.464	4.975	20	30		FJEDHN
C[C@@H](N[C@@H]1CCCCc2cc(C#N)ccc21)c1ccc(-n2cccn2)cc1	ZINC000481659133	568081523	/nfs/dbraw/zinc/08/15/23/568081523.db2.gz	OKCQFMUTKDMIKC-UZUQRXQVSA-N	0	3	356.473	4.862	20	30		FJEDHN
C[C@H](N[C@H]1CCCCc2cc(C#N)ccc21)c1ccc(-n2cccn2)cc1	ZINC000481659131	568081681	/nfs/dbraw/zinc/08/16/81/568081681.db2.gz	OKCQFMUTKDMIKC-SBUREZEXSA-N	0	3	356.473	4.862	20	30		FJEDHN
CCCCCn1cc(CN[C@@H]2CCCCc3cc(C#N)ccc32)c(C)n1	ZINC000481659041	568082160	/nfs/dbraw/zinc/08/21/60/568082160.db2.gz	IGMPRGAEQMWYCY-JOCHJYFZSA-N	0	3	350.510	4.811	20	30		FJEDHN
N#Cc1ccc2c(c1)CCCC[C@H]2N[C@H](c1ccc2c(c1)OCCO2)C1CC1	ZINC000481680246	568085545	/nfs/dbraw/zinc/08/55/45/568085545.db2.gz	YIVCKXBZNFANRM-QPPBQGQZSA-N	0	3	374.484	4.838	20	30		FJEDHN
COC[C@@H](N[C@H]1CCCCc2cc(C#N)ccc21)c1ccc(Cl)cc1	ZINC000481997930	568219683	/nfs/dbraw/zinc/21/96/83/568219683.db2.gz	JMHNAGHPPOOOCA-LEWJYISDSA-N	0	3	354.881	4.956	20	30		FJEDHN
N#CCCC1CCN(Cc2cccc(OCc3ccccc3C#N)c2)CC1	ZINC000563157341	568382503	/nfs/dbraw/zinc/38/25/03/568382503.db2.gz	AXIODFCJZAFRMJ-UHFFFAOYSA-N	0	3	359.473	4.653	20	30		FJEDHN
COc1cccc(C[C@H](NCc2ccc(C#N)c(OC)c2)c2ccccc2)c1	ZINC000569628472	568411065	/nfs/dbraw/zinc/41/10/65/568411065.db2.gz	JBLSCPLUFRQGPA-QHCPKHFHSA-N	0	3	372.468	4.649	20	30		FJEDHN
Cc1nn(-c2ccccc2)cc1CN[C@@H]1CCCCc2cc(C#N)ccc21	ZINC000570020910	568441014	/nfs/dbraw/zinc/44/10/14/568441014.db2.gz	BYJREXWYVUTWPU-HSZRJFAPSA-N	0	3	356.473	4.610	20	30		FJEDHN
Cc1nc(-c2ccc([C@@H](C)N[C@@H](C)CC3(C#N)CCOCC3)cc2)cs1	ZINC000602513433	567989521	/nfs/dbraw/zinc/98/95/21/567989521.db2.gz	XVRLBGLCTFOMAL-JKSUJKDBSA-N	0	3	369.534	4.868	20	30		FJEDHN
N#Cc1ccc2c(c1)CCCC[C@@H]2NCc1cccc(Br)c1	ZINC000481649652	568080156	/nfs/dbraw/zinc/08/01/56/568080156.db2.gz	GXNZXVZKHBOENC-IBGZPJMESA-N	0	3	355.279	4.878	20	30		FJEDHN
N#Cc1ccc2c(c1)CCCC[C@@H]2NCc1ccc(Br)s1	ZINC000481647322	568080266	/nfs/dbraw/zinc/08/02/66/568080266.db2.gz	SYKGQBKREJXZSU-INIZCTEOSA-N	0	3	361.308	4.940	20	30		FJEDHN
N#CC(C(=O)c1ccc(Oc2ccccc2)nc1)c1ccc2ccccc2n1	ZINC000603627817	568127504	/nfs/dbraw/zinc/12/75/04/568127504.db2.gz	VSJCEBHGHIQLTM-IBGZPJMESA-N	0	3	365.392	4.912	20	30		FJEDHN
Cc1[nH]c2ccccc2c1C(=O)C(C#N)c1nc2ccccc2n1C(F)F	ZINC000051655945	568139621	/nfs/dbraw/zinc/13/96/21/568139621.db2.gz	YTAMLCXRDFZOEN-CYBMUJFWSA-N	0	3	364.355	4.711	20	30		FJEDHN
C[C@H](NCc1nnc(-c2cccc(C#N)c2)o1)C1(c2ccccc2)CCCC1	ZINC000481839377	568147772	/nfs/dbraw/zinc/14/77/72/568147772.db2.gz	JSIFCNKNLUBSIL-KRWDZBQOSA-N	0	3	372.472	4.598	20	30		FJEDHN
Cc1cccc(N(CCC#N)C(=O)CN[C@H](c2ccccc2)C(C)C)c1C	ZINC000603850916	568165230	/nfs/dbraw/zinc/16/52/30/568165230.db2.gz	JKOWDEZPEUZMEE-QHCPKHFHSA-N	0	3	363.505	4.537	20	30		FJEDHN
Cc1cccc(N(CCC#N)C(=O)CN(C2CC2)C2CCC(C)CC2)c1C	ZINC000603856533	568168242	/nfs/dbraw/zinc/16/82/42/568168242.db2.gz	ZQKLKSYTIAYVGJ-UHFFFAOYSA-N	0	3	367.537	4.593	20	30		FJEDHN
CC1CCN(c2ccc(CN[C@@H]3CCCCc4cc(C#N)ccc43)cn2)CC1	ZINC000481913061	568178011	/nfs/dbraw/zinc/17/80/11/568178011.db2.gz	COOUNGQKTDEYOT-HSZRJFAPSA-N	0	3	374.532	4.747	20	30		FJEDHN
N#Cc1ccc2c(c1)CCCC[C@H]2NCc1ccc(N2CCCCCC2)nc1	ZINC000481912623	568180754	/nfs/dbraw/zinc/18/07/54/568180754.db2.gz	AXWBCFGXDNBQSS-HSZRJFAPSA-N	0	3	374.532	4.891	20	30		FJEDHN
N#CC(C(=O)c1cnc2ccsc2c1)c1nc2ccccc2n1C(F)F	ZINC000525796167	568287037	/nfs/dbraw/zinc/28/70/37/568287037.db2.gz	QCUCWXCPENDEBO-LLVKDONJSA-N	0	3	368.368	4.531	20	30		FJEDHN
N#Cc1ccc2c(c1)[C@@H](N[C@@H]1CCc3c1cccc3Br)CC2	ZINC000569174524	568303889	/nfs/dbraw/zinc/30/38/89/568303889.db2.gz	NLGDKKIDPNDNKN-MOPGFXCFSA-N	0	3	353.263	4.585	20	30		FJEDHN
Cc1ccc(CCN(Cc2ccc(C#N)cc2)Cc2ccc(C#N)cc2)o1	ZINC000031477607	568330189	/nfs/dbraw/zinc/33/01/89/568330189.db2.gz	UMGPNFXQQYZSMN-UHFFFAOYSA-N	0	3	355.441	4.576	20	30		FJEDHN
C=CC[C@@H](C)N[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1	ZINC000604890642	568381760	/nfs/dbraw/zinc/38/17/60/568381760.db2.gz	DSRLZASTQAEAMU-RDTXWAMCSA-N	0	3	362.395	4.939	20	30		FJEDHN
Cc1cc(Br)cc(C)c1CN[C@H]1CCc2ccc(C#N)cc21	ZINC000569628473	568411060	/nfs/dbraw/zinc/41/10/60/568411060.db2.gz	JDBAYUCKUOTVRT-IBGZPJMESA-N	0	3	355.279	4.715	20	30		FJEDHN
CO[C@H](c1ccc(F)cc1)[C@H](C)NCc1ccc(C#N)cc1C(F)(F)F	ZINC000569704192	568413060	/nfs/dbraw/zinc/41/30/60/568413060.db2.gz	HRPLEKRXVNCKRT-SGTLLEGYSA-N	0	3	366.358	4.582	20	30		FJEDHN
C[C@@H](N[C@@H](C)C(=O)Nc1ccccc1)c1ccc(-c2cccc(C#N)c2)cc1	ZINC000542004798	568630439	/nfs/dbraw/zinc/63/04/39/568630439.db2.gz	ALTQTWQEENANAE-MSOLQXFVSA-N	0	3	369.468	4.903	20	30		FJEDHN
Cc1nc(-c2ccc([C@H](C)N[C@@H](C)CC3(C#N)CCOCC3)cc2)cs1	ZINC000602513429	567989443	/nfs/dbraw/zinc/98/94/43/567989443.db2.gz	XVRLBGLCTFOMAL-HOTGVXAUSA-N	0	3	369.534	4.868	20	30		FJEDHN
N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@H]1CCO[C@H]1c1ccc(F)c(F)c1	ZINC000481650406	568080503	/nfs/dbraw/zinc/08/05/03/568080503.db2.gz	NOTWUZFPTZQPND-FKBYEOEOSA-N	0	3	368.427	4.724	20	30		FJEDHN
CCOc1ccc(CN[C@H]2CCCCc3cc(C#N)ccc32)cc1OC	ZINC000481669953	568080877	/nfs/dbraw/zinc/08/08/77/568080877.db2.gz	NMMAFBQCVFHLQM-FQEVSTJZSA-N	0	3	350.462	4.523	20	30		FJEDHN
CCOc1cc(CN[C@H]2CCCCc3cc(C#N)ccc32)ccc1OC	ZINC000481660730	568082341	/nfs/dbraw/zinc/08/23/41/568082341.db2.gz	SQOLXBLDJLBXFU-FQEVSTJZSA-N	0	3	350.462	4.523	20	30		FJEDHN
Cn1cc(-c2cccc(CN[C@@H]3CCCCc4cc(C#N)ccc43)c2)cn1	ZINC000481668377	568083644	/nfs/dbraw/zinc/08/36/44/568083644.db2.gz	IMCPQQHNVRZCNB-HSZRJFAPSA-N	0	3	356.473	4.516	20	30		FJEDHN
C=CCc1cc(CNCc2ccc3[nH]c(C)c(C)c3c2)cc(OC)c1O	ZINC000603511805	568110692	/nfs/dbraw/zinc/11/06/92/568110692.db2.gz	GOFCFHNDZQZRCS-UHFFFAOYSA-N	0	3	350.462	4.517	20	30		FJEDHN
Cn1c2ccccc2nc1C(C#N)C(=O)c1cc2c(s1)CCCCCC2	ZINC000301757139	568115036	/nfs/dbraw/zinc/11/50/36/568115036.db2.gz	BOZFVLGKFDBIEI-HNNXBMFYSA-N	0	3	363.486	4.784	20	30		FJEDHN
C=CCCCN1CCc2c(cccc2NC(=O)Nc2ccccc2F)C1	ZINC000522775579	568131559	/nfs/dbraw/zinc/13/15/59/568131559.db2.gz	DQKUENJLUXWWST-UHFFFAOYSA-N	0	3	353.441	4.794	20	30		FJEDHN
Cc1cccc(N(CCC#N)C(=O)CN[C@@H](c2ccccc2)C(C)C)c1C	ZINC000603850915	568165214	/nfs/dbraw/zinc/16/52/14/568165214.db2.gz	JKOWDEZPEUZMEE-HSZRJFAPSA-N	0	3	363.505	4.537	20	30		FJEDHN
Cc1nn(-c2ccccc2)c(C)c1CN[C@@H]1CCCCc2cc(C#N)ccc21	ZINC000481910931	568180786	/nfs/dbraw/zinc/18/07/86/568180786.db2.gz	OIUQHCVRZYCOMU-XMMPIXPASA-N	0	3	370.500	4.918	20	30		FJEDHN
CCCOc1ccc(CN[C@H]2CCCCc3cc(C#N)ccc32)cc1OC	ZINC000481916133	568182488	/nfs/dbraw/zinc/18/24/88/568182488.db2.gz	WWNVPDBZJJDUSP-NRFANRHFSA-N	0	3	364.489	4.913	20	30		FJEDHN
C=C(C)CN1CCC(NC(=O)N(CCCC)[C@@H](CC)c2ccccc2)CC1	ZINC000604083866	568209473	/nfs/dbraw/zinc/20/94/73/568209473.db2.gz	VZOPEHFTPIKQAT-QFIPXVFZSA-N	0	3	371.569	4.990	20	30		FJEDHN
Cc1nn(C(C)(C)C)cc1[C@@H](C)N[C@@H]1CCCCc2cc(C#N)ccc21	ZINC000481987175	568215741	/nfs/dbraw/zinc/21/57/41/568215741.db2.gz	BDAHXMGAHYJAOX-QVKFZJNVSA-N	0	3	350.510	4.937	20	30		FJEDHN
C=CCOc1ccc(CN[C@H](CN2CCCC2)c2ccccc2)cc1Cl	ZINC000303211016	568258213	/nfs/dbraw/zinc/25/82/13/568258213.db2.gz	RHYRVKXXWQCIEJ-OAQYLSRUSA-N	0	3	370.924	4.832	20	30		FJEDHN
N#Cc1ccc2c(c1)[C@@H](N[C@H]1CCc3c1cccc3Br)CC2	ZINC000569174531	568303891	/nfs/dbraw/zinc/30/38/91/568303891.db2.gz	NLGDKKIDPNDNKN-OALUTQOASA-N	0	3	353.263	4.585	20	30		FJEDHN
Cc1cc(Br)cc(C)c1CN[C@@H]1CCc2ccc(C#N)cc21	ZINC000569628476	568411037	/nfs/dbraw/zinc/41/10/37/568411037.db2.gz	JDBAYUCKUOTVRT-LJQANCHMSA-N	0	3	355.279	4.715	20	30		FJEDHN
Cc1nn(-c2ccccc2)cc1CN[C@H]1CCCCc2cc(C#N)ccc21	ZINC000570020915	568441006	/nfs/dbraw/zinc/44/10/06/568441006.db2.gz	BYJREXWYVUTWPU-QHCPKHFHSA-N	0	3	356.473	4.610	20	30		FJEDHN
N#Cc1cccc(COc2cccc(CN3CCC[C@H]3c3ccncc3)c2)c1	ZINC000569968512	568444959	/nfs/dbraw/zinc/44/49/59/568444959.db2.gz	ICOICZVEIBBIBJ-DEOSSOPVSA-N	0	3	369.468	4.869	20	30		FJEDHN
N#Cc1cccc(COc2cccc(CN3CCC[C@@H]3c3ccncc3)c2)c1	ZINC000569968513	568444984	/nfs/dbraw/zinc/44/49/84/568444984.db2.gz	ICOICZVEIBBIBJ-XMMPIXPASA-N	0	3	369.468	4.869	20	30		FJEDHN
N#CC(C(=O)c1cc2c(s1)CCCC2)c1ccc(C(F)(F)F)cn1	ZINC000041556435	205092026	/nfs/dbraw/zinc/09/20/26/205092026.db2.gz	LGENFUHRWKDJCV-GFCCVEGCSA-N	0	3	350.365	4.531	20	30		FJEDHN
C[C@@H]1CSc2ccc(Br)cc2[C@@H]1N[C@@H]1CCC[C@H](C#N)C1	ZINC000463282337	567831606	/nfs/dbraw/zinc/83/16/06/567831606.db2.gz	BMCPCJNAWNIKPY-DMVWFOPNSA-N	0	3	365.340	4.904	20	30		FJEDHN
COC(=O)CC[C@H](N[C@@H]1CCCCc2cc(C#N)ccc21)c1ccccc1	ZINC000481653014	568080060	/nfs/dbraw/zinc/08/00/60/568080060.db2.gz	SXXZOAQELOUILH-FCHUYYIVSA-N	0	3	362.473	4.610	20	30		FJEDHN
N#Cc1ccc2c(c1)CCCC[C@@H]2NCc1ccc(OC2CCCC2)nc1	ZINC000481917336	568183129	/nfs/dbraw/zinc/18/31/29/568183129.db2.gz	FREVXYMSWZFXBV-QFIPXVFZSA-N	0	3	361.489	4.832	20	30		FJEDHN
Cc1ccc(-c2ncco2)cc1NC1CCN(Cc2ccc(C#N)cc2)CC1	ZINC000541928363	568252785	/nfs/dbraw/zinc/25/27/85/568252785.db2.gz	DUARDXVLRXVKBL-UHFFFAOYSA-N	0	3	372.472	4.598	20	30		FJEDHN
N#Cc1ccc2c(c1)[C@H](N[C@H]1CCc3c1cccc3Br)CC2	ZINC000569174532	568303861	/nfs/dbraw/zinc/30/38/61/568303861.db2.gz	NLGDKKIDPNDNKN-RBUKOAKNSA-N	0	3	353.263	4.585	20	30		FJEDHN
N#Cc1cccc(/C=C\c2nc(-c3cccc(CN4CCCCC4)c3)no2)c1	ZINC000609475217	568319922	/nfs/dbraw/zinc/31/99/22/568319922.db2.gz	PVUSEOBDWOKZRP-KHPPLWFESA-N	0	3	370.456	4.765	20	30		FJEDHN
N#Cc1ccccc1-c1ccc(CN[C@H](c2nnc[nH]2)C2CCCCC2)cc1	ZINC000569648158	568411410	/nfs/dbraw/zinc/41/14/10/568411410.db2.gz	KOSLFYVLJFVURK-QFIPXVFZSA-N	0	3	371.488	4.755	20	30		FJEDHN
C[C@@H](N[C@@H](C)[C@H](OC1CCOCC1)c1ccccc1)c1cccc(C#N)c1	ZINC000182047015	568677720	/nfs/dbraw/zinc/67/77/20/568677720.db2.gz	WBMWPQXJISHIJT-STSQHVNTSA-N	0	3	364.489	4.534	20	30		FJEDHN
N#CC(C(=O)c1cc2c(s1)CCCC2)c1ccc(C(F)(F)F)cn1	ZINC000041556437	205091133	/nfs/dbraw/zinc/09/11/33/205091133.db2.gz	LGENFUHRWKDJCV-LBPRGKRZSA-N	0	3	350.365	4.531	20	30		FJEDHN
C[C@@H](CC1(C#N)CCOCC1)NCc1ccc(Cl)c(C(F)(F)F)c1	ZINC000602739394	568020748	/nfs/dbraw/zinc/02/07/48/568020748.db2.gz	DNCFDHUQCWUPGF-LBPRGKRZSA-N	0	3	360.807	4.547	20	30		FJEDHN
N#Cc1ccc2c(c1)CCCC[C@H]2NCc1cccc(Br)c1	ZINC000481649653	568080492	/nfs/dbraw/zinc/08/04/92/568080492.db2.gz	GXNZXVZKHBOENC-LJQANCHMSA-N	0	3	355.279	4.878	20	30		FJEDHN
CC[C@@H](N[C@@H]1CCCCc2cc(C#N)ccc21)c1ccc2c(c1)OCCO2	ZINC000481669656	568083690	/nfs/dbraw/zinc/08/36/90/568083690.db2.gz	KOGSOYQOVSSMRI-NHCUHLMSSA-N	0	3	362.473	4.838	20	30		FJEDHN
CC[C@H](N[C@@H]1CCCCc2cc(C#N)ccc21)c1ccc2c(c1)OCCO2	ZINC000481669654	568083769	/nfs/dbraw/zinc/08/37/69/568083769.db2.gz	KOGSOYQOVSSMRI-LEWJYISDSA-N	0	3	362.473	4.838	20	30		FJEDHN
N#Cc1ccc2c(c1)CCCC[C@H]2NCc1ccc(Br)cc1	ZINC000481668766	568083790	/nfs/dbraw/zinc/08/37/90/568083790.db2.gz	URGQWOMRQTZWDK-LJQANCHMSA-N	0	3	355.279	4.878	20	30		FJEDHN
COc1ccc(OC)c([C@H](C)N[C@H]2CCCCc3cc(C#N)ccc32)c1	ZINC000481677707	568085477	/nfs/dbraw/zinc/08/54/77/568085477.db2.gz	LRMDTWCCBWVLGB-BTYIYWSLSA-N	0	3	350.462	4.694	20	30		FJEDHN
COc1cc(CN[C@H]2CCCCc3cc(C#N)ccc32)c2ccccc2n1	ZINC000481679865	568085833	/nfs/dbraw/zinc/08/58/33/568085833.db2.gz	WJQJLESGAQTITA-NRFANRHFSA-N	0	3	357.457	4.672	20	30		FJEDHN
CC[C@H](CN(CC)Cc1nnc(-c2cccc(C#N)c2)o1)c1ccccc1	ZINC000481731354	568098425	/nfs/dbraw/zinc/09/84/25/568098425.db2.gz	DZLUYVRRLYOYBQ-GOSISDBHSA-N	0	3	360.461	4.624	20	30		FJEDHN
Cc1ccc(NC(=O)c2ccc(C#Cc3ccccc3)cc2)c(CN(C)C)c1	ZINC000603695164	568136817	/nfs/dbraw/zinc/13/68/17/568136817.db2.gz	KZVCSMJNNPUDRQ-UHFFFAOYSA-N	0	3	368.480	4.709	20	30		FJEDHN
CCCCN(CC(=O)N(CCC#N)c1ccccc1)[C@H](C)c1ccccc1	ZINC000604494853	568304275	/nfs/dbraw/zinc/30/42/75/568304275.db2.gz	CGHQOHLPVCADFE-HXUWFJFHSA-N	0	3	363.505	4.797	20	30		FJEDHN
C[C@@H]1CSc2ccc(Br)cc2[C@@H]1N[C@@H]1CCC[C@@H](C#N)C1	ZINC000463282328	567831230	/nfs/dbraw/zinc/83/12/30/567831230.db2.gz	BMCPCJNAWNIKPY-CTWCOEIASA-N	0	3	365.340	4.904	20	30		FJEDHN
N#Cc1ccc2c(c1)[C@@H](NCc1ccc(COc3ccccc3)cc1)CC2	ZINC000568105389	567885979	/nfs/dbraw/zinc/88/59/79/567885979.db2.gz	JFTLSELYTWXACD-DEOSSOPVSA-N	0	3	354.453	4.914	20	30		FJEDHN
COc1cc(CN[C@@H](C)c2ccc(OC(C)C)c(Cl)c2)ccc1C#N	ZINC000568570635	568056971	/nfs/dbraw/zinc/05/69/71/568056971.db2.gz	TZLHTYWXRDSCNE-AWEZNQCLSA-N	0	3	358.869	4.858	20	30		FJEDHN
N#Cc1ccc2c(c1)CCCC[C@@H]2NCc1ccc(Br)cc1	ZINC000481668765	568081016	/nfs/dbraw/zinc/08/10/16/568081016.db2.gz	URGQWOMRQTZWDK-IBGZPJMESA-N	0	3	355.279	4.878	20	30		FJEDHN
C=CCc1cc(CNCc2ccc(OC(C)(C)C)cc2)cc(OC)c1O	ZINC000603511987	568110777	/nfs/dbraw/zinc/11/07/77/568110777.db2.gz	WBYPSEFALLCUSE-UHFFFAOYSA-N	0	3	355.478	4.596	20	30		FJEDHN
N#CC(C(=O)c1ccc(Oc2ccccc2)nc1)c1ccc2ccccc2n1	ZINC000603627818	568127531	/nfs/dbraw/zinc/12/75/31/568127531.db2.gz	VSJCEBHGHIQLTM-LJQANCHMSA-N	0	3	365.392	4.912	20	30		FJEDHN
C[C@@H](NCc1nnc(-c2cccc(C#N)c2)o1)C1(c2ccccc2)CCCC1	ZINC000481839378	568146178	/nfs/dbraw/zinc/14/61/78/568146178.db2.gz	JSIFCNKNLUBSIL-QGZVFWFLSA-N	0	3	372.472	4.598	20	30		FJEDHN
CCCC(=O)Nc1ccc(CN[C@@H]2CCCCc3cc(C#N)ccc32)cc1	ZINC000481914398	568182129	/nfs/dbraw/zinc/18/21/29/568182129.db2.gz	KQWIUXYWFZUTGJ-JOCHJYFZSA-N	0	3	361.489	4.854	20	30		FJEDHN
N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@H]1CCCOc2cc(F)ccc21	ZINC000481992194	568216028	/nfs/dbraw/zinc/21/60/28/568216028.db2.gz	QNERQYUWPFQCRI-SFTDATJTSA-N	0	3	350.437	4.968	20	30		FJEDHN
Cn1cc(CN[C@H]2CCCCc3cc(C#N)ccc32)c(-c2ccccc2)n1	ZINC000481995576	568221826	/nfs/dbraw/zinc/22/18/26/568221826.db2.gz	WDRGEVVKXDEAQI-QFIPXVFZSA-N	0	3	356.473	4.516	20	30		FJEDHN
COc1cc(CN[C@@H](c2ccc(Br)cc2)C2CC2)ccc1C#N	ZINC000568852314	568236436	/nfs/dbraw/zinc/23/64/36/568236436.db2.gz	KKUKMGKKYBPOPW-LJQANCHMSA-N	0	3	371.278	4.570	20	30		FJEDHN
C=CCN1CCC(NC(=O)c2ccc(Oc3cccc(Cl)c3)cc2)CC1	ZINC000303244232	568262337	/nfs/dbraw/zinc/26/23/37/568262337.db2.gz	CZOULYCWUPERMN-UHFFFAOYSA-N	0	3	370.880	4.513	20	30		FJEDHN
C=CCOc1cccc(NC(=O)NCC(C)(C)N[C@H](C)c2ccccc2)c1	ZINC000303337007	568266336	/nfs/dbraw/zinc/26/63/36/568266336.db2.gz	CNWTXPYBQVPACA-QGZVFWFLSA-N	0	3	367.493	4.502	20	30		FJEDHN
COc1cccc(C[C@@H](NCc2ccc(C#N)c(OC)c2)c2ccccc2)c1	ZINC000569628467	568411074	/nfs/dbraw/zinc/41/10/74/568411074.db2.gz	JBLSCPLUFRQGPA-HSZRJFAPSA-N	0	3	372.468	4.649	20	30		FJEDHN
N#Cc1ccc(N2CCC(NCc3cccc(Cl)c3Cl)CC2)cc1	ZINC000569632969	568411194	/nfs/dbraw/zinc/41/11/94/568411194.db2.gz	WQBIVPKIZHMOIQ-UHFFFAOYSA-N	0	3	360.288	4.624	20	30		FJEDHN
C[C@@H](N[C@@H](C)c1cccc(C#N)c1)[C@H](OC1CCOCC1)c1ccccc1	ZINC000182047036	568677739	/nfs/dbraw/zinc/67/77/39/568677739.db2.gz	WBMWPQXJISHIJT-IXFSTUDKSA-N	0	3	364.489	4.534	20	30		FJEDHN
N#Cc1ccc2c(c1)CCCC[C@@H]2NCc1cccc(NC(=O)C2CCC2)c1	ZINC000568343824	568026560	/nfs/dbraw/zinc/02/65/60/568026560.db2.gz	VQLPUQUVWOADHF-QHCPKHFHSA-N	0	3	373.500	4.854	20	30		FJEDHN
N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@H](c1ccc(F)cc1)[C@H]1CCCO1	ZINC000481644852	568079723	/nfs/dbraw/zinc/07/97/23/568079723.db2.gz	ULSWARMCRGSTKP-YTFSRNRJSA-N	0	3	364.464	4.975	20	30		FJEDHN
N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1	ZINC000481650402	568080241	/nfs/dbraw/zinc/08/02/41/568080241.db2.gz	NOTWUZFPTZQPND-BHDDXSALSA-N	0	3	368.427	4.724	20	30		FJEDHN
CC[C@@H](N[C@H]1CCCCc2cc(C#N)ccc21)c1ccc2c(c1)OCCO2	ZINC000481669658	568081025	/nfs/dbraw/zinc/08/10/25/568081025.db2.gz	KOGSOYQOVSSMRI-RTWAWAEBSA-N	0	3	362.473	4.838	20	30		FJEDHN
CCCCCn1cc(CN[C@H]2CCCCc3cc(C#N)ccc32)c(C)n1	ZINC000481659042	568081700	/nfs/dbraw/zinc/08/17/00/568081700.db2.gz	IGMPRGAEQMWYCY-QFIPXVFZSA-N	0	3	350.510	4.811	20	30		FJEDHN
CCOc1cc(CN[C@@H]2CCCCc3cc(C#N)ccc32)ccc1OC	ZINC000481660733	568082278	/nfs/dbraw/zinc/08/22/78/568082278.db2.gz	SQOLXBLDJLBXFU-HXUWFJFHSA-N	0	3	350.462	4.523	20	30		FJEDHN
COCCCOc1cccc(CN[C@H]2CCCCc3cc(C#N)ccc32)c1	ZINC000481668831	568083441	/nfs/dbraw/zinc/08/34/41/568083441.db2.gz	UXNMVFGMINOANL-QHCPKHFHSA-N	0	3	364.489	4.531	20	30		FJEDHN
N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@H](c1ccc2c(c1)OCCO2)C1CC1	ZINC000481680247	568084911	/nfs/dbraw/zinc/08/49/11/568084911.db2.gz	YIVCKXBZNFANRM-URXFXBBRSA-N	0	3	374.484	4.838	20	30		FJEDHN
C=CCc1cc(CNCc2cc(C)cc3c(C)c(C)[nH]c32)cc(OC)c1O	ZINC000603513062	568111086	/nfs/dbraw/zinc/11/10/86/568111086.db2.gz	BJPQDLBVIKQZKY-UHFFFAOYSA-N	0	3	364.489	4.826	20	30		FJEDHN
CCCOc1ccc(CN[C@@H]2CCCCc3cc(C#N)ccc32)cc1OC	ZINC000481916134	568182501	/nfs/dbraw/zinc/18/25/01/568182501.db2.gz	WWNVPDBZJJDUSP-OAQYLSRUSA-N	0	3	364.489	4.913	20	30		FJEDHN
Cc1nn(C(C)(C)C)cc1[C@H](C)N[C@@H]1CCCCc2cc(C#N)ccc21	ZINC000481987177	568215733	/nfs/dbraw/zinc/21/57/33/568215733.db2.gz	BDAHXMGAHYJAOX-YCRPNKLZSA-N	0	3	350.510	4.937	20	30		FJEDHN
COC[C@@H](N[C@@H]1CCCCc2cc(C#N)ccc21)c1ccc(Cl)cc1	ZINC000481997931	568219736	/nfs/dbraw/zinc/21/97/36/568219736.db2.gz	JMHNAGHPPOOOCA-NHCUHLMSSA-N	0	3	354.881	4.956	20	30		FJEDHN
N#Cc1ccc2c(c1)CCCC[C@H]2N[C@H]1CCCOc2c(F)cccc21	ZINC000482003902	568226191	/nfs/dbraw/zinc/22/61/91/568226191.db2.gz	GOFLDNOOFGDTJA-RTWAWAEBSA-N	0	3	350.437	4.968	20	30		FJEDHN
C=C(C)CN1CCC(NC(=O)Nc2cc(Cl)ccc2SCC)CC1	ZINC000303261913	568260446	/nfs/dbraw/zinc/26/04/46/568260446.db2.gz	ATTSZGKTZNGPOF-UHFFFAOYSA-N	0	3	367.946	4.614	20	30		FJEDHN
C=CCOc1ccc(CNCc2ccc(Br)cc2)cc1Cl	ZINC000303232458	568261486	/nfs/dbraw/zinc/26/14/86/568261486.db2.gz	YNSPPIZHEGUFPA-UHFFFAOYSA-N	0	3	366.686	4.957	20	30		FJEDHN
N#Cc1ccccc1/C=C\c1nc(-c2cccc(CN3CCCCC3)c2)no1	ZINC000609475227	568320374	/nfs/dbraw/zinc/32/03/74/568320374.db2.gz	SFUWJGQOLHWUNP-QXMHVHEDSA-N	0	3	370.456	4.765	20	30		FJEDHN
CO[C@H](c1ccc(F)cc1)[C@@H](C)NCc1ccc(C#N)cc1C(F)(F)F	ZINC000569704193	568413083	/nfs/dbraw/zinc/41/30/83/568413083.db2.gz	HRPLEKRXVNCKRT-XIKOKIGWSA-N	0	3	366.358	4.582	20	30		FJEDHN
C[C@@H](N[C@H](C)[C@H](OC1CCOCC1)c1ccccc1)c1cccc(C#N)c1	ZINC000182047056	568677710	/nfs/dbraw/zinc/67/77/10/568677710.db2.gz	WBMWPQXJISHIJT-PNCHPQGNSA-N	0	3	364.489	4.534	20	30		FJEDHN
Cc1nc(-c2ccc([C@H](C)N[C@H](C)CC3(C#N)CCOCC3)cc2)cs1	ZINC000602513422	567989410	/nfs/dbraw/zinc/98/94/10/567989410.db2.gz	XVRLBGLCTFOMAL-CVEARBPZSA-N	0	3	369.534	4.868	20	30		FJEDHN
Cc1cc(C)n(-c2ccccc2CN[C@H]2CCCCc3cc(C#N)ccc32)n1	ZINC000481648189	568080079	/nfs/dbraw/zinc/08/00/79/568080079.db2.gz	XATCTLIZWQCRJU-QHCPKHFHSA-N	0	3	370.500	4.918	20	30		FJEDHN
CC(C)C(=O)Nc1ccc(CN[C@@H]2CCCCc3cc(C#N)ccc32)cc1	ZINC000481651308	568080356	/nfs/dbraw/zinc/08/03/56/568080356.db2.gz	PXUZBMZDDVWJMO-JOCHJYFZSA-N	0	3	361.489	4.710	20	30		FJEDHN
Cc1nn(-c2ccc(F)cc2)cc1CN[C@H]1CCCCc2cc(C#N)ccc21	ZINC000481645984	568080391	/nfs/dbraw/zinc/08/03/91/568080391.db2.gz	PLFJRIRXWPSNPI-QHCPKHFHSA-N	0	3	374.463	4.749	20	30		FJEDHN
CC(C)C(=O)Nc1ccc(CN[C@H]2CCCCc3cc(C#N)ccc32)cc1	ZINC000481651309	568080463	/nfs/dbraw/zinc/08/04/63/568080463.db2.gz	PXUZBMZDDVWJMO-QFIPXVFZSA-N	0	3	361.489	4.710	20	30		FJEDHN
N#Cc1ccc2c(c1)CCCC[C@H]2NCc1cccc(OCC(F)F)c1	ZINC000481667585	568081010	/nfs/dbraw/zinc/08/10/10/568081010.db2.gz	JUGATHUPMUZLRQ-HXUWFJFHSA-N	0	3	356.416	4.759	20	30		FJEDHN
N#Cc1ccc2c(c1)CCCC[C@H]2NCc1csc(Br)c1	ZINC000481668484	568083470	/nfs/dbraw/zinc/08/34/70/568083470.db2.gz	LICKDCMNIXBODO-MRXNPFEDSA-N	0	3	361.308	4.940	20	30		FJEDHN
N#Cc1ccc2c(c1)CCCC[C@H]2N[C@H]1CCCOc2ccc(F)cc21	ZINC000481665355	568083588	/nfs/dbraw/zinc/08/35/88/568083588.db2.gz	CKMQFAMPLILVND-RTWAWAEBSA-N	0	3	350.437	4.968	20	30		FJEDHN
COCCCOc1cccc(CN[C@@H]2CCCCc3cc(C#N)ccc32)c1	ZINC000481668829	568083614	/nfs/dbraw/zinc/08/36/14/568083614.db2.gz	UXNMVFGMINOANL-HSZRJFAPSA-N	0	3	364.489	4.531	20	30		FJEDHN
N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@@H](c1ccc2c(c1)OCCO2)C1CC1	ZINC000481680248	568085504	/nfs/dbraw/zinc/08/55/04/568085504.db2.gz	YIVCKXBZNFANRM-XUZZJYLKSA-N	0	3	374.484	4.838	20	30		FJEDHN
N#Cc1ccc2c(c1)CCCC[C@H]2NCc1cc(Br)cs1	ZINC000481923794	568186411	/nfs/dbraw/zinc/18/64/11/568186411.db2.gz	OALXRUMYGBSZDE-QGZVFWFLSA-N	0	3	361.308	4.940	20	30		FJEDHN
C=CC[C@H](C)N[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1	ZINC000604890640	568381805	/nfs/dbraw/zinc/38/18/05/568381805.db2.gz	DSRLZASTQAEAMU-KSSFIOAISA-N	0	3	362.395	4.939	20	30		FJEDHN
CC[C@@H](C)N(CC(=O)Nc1ccccc1C(F)(F)F)C[C@@H](C)CCC#N	ZINC000602431924	567979678	/nfs/dbraw/zinc/97/96/78/567979678.db2.gz	GNWDBBINDLWFKS-LSDHHAIUSA-N	0	3	369.431	4.684	20	30		FJEDHN
COC(=O)CC[C@@H](N[C@@H]1CCCCc2cc(C#N)ccc21)c1ccccc1	ZINC000481653015	568080461	/nfs/dbraw/zinc/08/04/61/568080461.db2.gz	SXXZOAQELOUILH-FGZHOGPDSA-N	0	3	362.473	4.610	20	30		FJEDHN
Cn1c2ccccc2nc1C(C#N)C(=O)c1cc2c(s1)CCCCCC2	ZINC000301757140	568115028	/nfs/dbraw/zinc/11/50/28/568115028.db2.gz	BOZFVLGKFDBIEI-OAHLLOKOSA-N	0	3	363.486	4.784	20	30		FJEDHN
COc1ccc(CN[C@@H]2CCCCc3cc(C#N)ccc32)cc1OC(F)F	ZINC000481914974	568182159	/nfs/dbraw/zinc/18/21/59/568182159.db2.gz	VCWMQIVHZQUMAB-GOSISDBHSA-N	0	3	372.415	4.726	20	30		FJEDHN
N#Cc1ccc2c(c1)CCCC[C@H]2NCc1ccc(OC2CCCC2)nc1	ZINC000481917335	568183115	/nfs/dbraw/zinc/18/31/15/568183115.db2.gz	FREVXYMSWZFXBV-JOCHJYFZSA-N	0	3	361.489	4.832	20	30		FJEDHN
N#Cc1ccc2c(c1)CCCC[C@@H]2NCc1ccnc(OC2CCCC2)c1	ZINC000481917999	568183553	/nfs/dbraw/zinc/18/35/53/568183553.db2.gz	QDCHYNPZOZHGHZ-QFIPXVFZSA-N	0	3	361.489	4.832	20	30		FJEDHN
COc1cc(CN[C@H](c2ccc(Br)cc2)C2CC2)ccc1C#N	ZINC000568852313	568236431	/nfs/dbraw/zinc/23/64/31/568236431.db2.gz	KKUKMGKKYBPOPW-IBGZPJMESA-N	0	3	371.278	4.570	20	30		FJEDHN
C=CCOc1cccc(NC(=O)NCC(C)(C)N[C@@H](C)c2ccccc2)c1	ZINC000303337004	568266360	/nfs/dbraw/zinc/26/63/60/568266360.db2.gz	CNWTXPYBQVPACA-KRWDZBQOSA-N	0	3	367.493	4.502	20	30		FJEDHN
CCCCN(CC(=O)N(CCC#N)c1ccccc1)[C@@H](C)c1ccccc1	ZINC000604494852	568304293	/nfs/dbraw/zinc/30/42/93/568304293.db2.gz	CGHQOHLPVCADFE-FQEVSTJZSA-N	0	3	363.505	4.797	20	30		FJEDHN
N#Cc1csc(CNC(CCc2ccccc2)CCc2ccccc2)n1	ZINC000584710471	568372343	/nfs/dbraw/zinc/37/23/43/568372343.db2.gz	DLHIYKLJGGFRQZ-UHFFFAOYSA-N	0	3	361.514	4.739	20	30		FJEDHN
Cc1cc(Br)cc2c1[C@@H](NC1(c3cccc(C#N)c3)CC1)CC2	ZINC000569481029	568403033	/nfs/dbraw/zinc/40/30/33/568403033.db2.gz	YZEIZZQUDQOTGB-SFHVURJKSA-N	0	3	367.290	4.895	20	30		FJEDHN
CC[C@@H](NCc1ccc(C#N)c(OC)c1)c1cccc(Br)c1	ZINC000569514360	568404586	/nfs/dbraw/zinc/40/45/86/568404586.db2.gz	ZFBXPQYAJSRWFV-QGZVFWFLSA-N	0	3	359.267	4.570	20	30		FJEDHN
C=CCCCN1CCc2c(cccc2NC(=O)Nc2ccc(F)cc2)C1	ZINC000605150807	568587705	/nfs/dbraw/zinc/58/77/05/568587705.db2.gz	GXGSWCYUWYJHBP-UHFFFAOYSA-N	0	3	353.441	4.794	20	30		FJEDHN
C[C@@H](N[C@@H](C)c1ccc(C#N)cc1)[C@H](OC1CCOCC1)c1ccccc1	ZINC000182046769	568677762	/nfs/dbraw/zinc/67/77/62/568677762.db2.gz	HDTYGEMENZGOBX-IXFSTUDKSA-N	0	3	364.489	4.534	20	30		FJEDHN
CCCCCCCCC(=O)Nc1ccc(N2CCN(CC)CC2)cc1C	ZINC000105741825	132239566	/nfs/dbraw/zinc/23/95/66/132239566.db2.gz	RLVXIGZOZCVQPV-UHFFFAOYSA-N	0	3	359.558	4.826	20	30		FJEDHN
C[C@H](CC1(C#N)CCOCC1)NCc1ccc(Cl)c(C(F)(F)F)c1	ZINC000602739393	568020687	/nfs/dbraw/zinc/02/06/87/568020687.db2.gz	DNCFDHUQCWUPGF-GFCCVEGCSA-N	0	3	360.807	4.547	20	30		FJEDHN
Cc1nn(-c2ccc(F)cc2)cc1CN[C@@H]1CCCCc2cc(C#N)ccc21	ZINC000481645983	568079665	/nfs/dbraw/zinc/07/96/65/568079665.db2.gz	PLFJRIRXWPSNPI-HSZRJFAPSA-N	0	3	374.463	4.749	20	30		FJEDHN
C[C@@H](N[C@@H]1CCCCc2cc(C#N)ccc21)c1cnn(Cc2ccccc2)c1	ZINC000481645054	568080106	/nfs/dbraw/zinc/08/01/06/568080106.db2.gz	NDLMQMHVEBTDJT-HOYKHHGWSA-N	0	3	370.500	4.921	20	30		FJEDHN
CN(C)c1cc(CN[C@@H]2CCCCc3cc(C#N)ccc32)c2ccccc2n1	ZINC000481652168	568080482	/nfs/dbraw/zinc/08/04/82/568080482.db2.gz	GCHNJGYKUYDYNJ-JOCHJYFZSA-N	0	3	370.500	4.730	20	30		FJEDHN
Cn1cc(-c2cccc(CN[C@H]3CCCCc4cc(C#N)ccc43)c2)cn1	ZINC000481668378	568083879	/nfs/dbraw/zinc/08/38/79/568083879.db2.gz	IMCPQQHNVRZCNB-QHCPKHFHSA-N	0	3	356.473	4.516	20	30		FJEDHN
COc1ccc(CN[C@H]2CCCCc3cc(C#N)ccc32)cc1OC(F)F	ZINC000481914975	568182218	/nfs/dbraw/zinc/18/22/18/568182218.db2.gz	VCWMQIVHZQUMAB-SFHVURJKSA-N	0	3	372.415	4.726	20	30		FJEDHN
CSc1cccc(NC2CCN(Cc3ccc(C#N)cc3)CC2)c1C	ZINC000541909432	568204400	/nfs/dbraw/zinc/20/44/00/568204400.db2.gz	GKUKRSKTKCPTRJ-UHFFFAOYSA-N	0	3	351.519	4.665	20	30		FJEDHN
N#Cc1ccc2c(c1)CCCC[C@H]2N[C@@H]1CCCOc2cc(F)ccc21	ZINC000481992192	568216015	/nfs/dbraw/zinc/21/60/15/568216015.db2.gz	QNERQYUWPFQCRI-NHCUHLMSSA-N	0	3	350.437	4.968	20	30		FJEDHN
Cn1cc(CN[C@@H]2CCCCc3cc(C#N)ccc32)c(-c2ccccc2)n1	ZINC000481995574	568221719	/nfs/dbraw/zinc/22/17/19/568221719.db2.gz	WDRGEVVKXDEAQI-JOCHJYFZSA-N	0	3	356.473	4.516	20	30		FJEDHN
N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@H]1CCCOc2c(F)cccc21	ZINC000482003904	568226210	/nfs/dbraw/zinc/22/62/10/568226210.db2.gz	GOFLDNOOFGDTJA-SFTDATJTSA-N	0	3	350.437	4.968	20	30		FJEDHN
COc1cc(CN2CCC[C@@H](c3nc4ccccc4s3)C2)ccc1C#N	ZINC000569190867	568307011	/nfs/dbraw/zinc/30/70/11/568307011.db2.gz	MGSJNIYIDDFRDX-QGZVFWFLSA-N	0	3	363.486	4.556	20	30		FJEDHN
N#Cc1ccccc1/C=C/c1nc(-c2cccc(CN3CCCCC3)c2)no1	ZINC000609475228	568320366	/nfs/dbraw/zinc/32/03/66/568320366.db2.gz	SFUWJGQOLHWUNP-VAWYXSNFSA-N	0	3	370.456	4.765	20	30		FJEDHN
Cc1cc(Br)cc2c1[C@H](NC1(c3cccc(C#N)c3)CC1)CC2	ZINC000569481028	568403052	/nfs/dbraw/zinc/40/30/52/568403052.db2.gz	YZEIZZQUDQOTGB-GOSISDBHSA-N	0	3	367.290	4.895	20	30		FJEDHN
CC[C@H](NCc1ccc(C#N)c(OC)c1)c1cccc(Br)c1	ZINC000569514359	568404541	/nfs/dbraw/zinc/40/45/41/568404541.db2.gz	ZFBXPQYAJSRWFV-KRWDZBQOSA-N	0	3	359.267	4.570	20	30		FJEDHN
CO[C@@H](c1ccc(F)cc1)[C@@H](C)NCc1ccc(C#N)cc1C(F)(F)F	ZINC000569704191	568413034	/nfs/dbraw/zinc/41/30/34/568413034.db2.gz	HRPLEKRXVNCKRT-KZULUSFZSA-N	0	3	366.358	4.582	20	30		FJEDHN
N#CCCC1CCN(Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)CC1	ZINC000563158329	568472098	/nfs/dbraw/zinc/47/20/98/568472098.db2.gz	QUWGERQVZMECPD-UHFFFAOYSA-N	0	3	362.399	4.611	20	30		FJEDHN
CCOc1cc(CN2CCC(CCC#N)CC2)ccc1OCC(F)(F)F	ZINC000563158645	568498641	/nfs/dbraw/zinc/49/86/41/568498641.db2.gz	SKTQECSJFDVBME-UHFFFAOYSA-N	0	3	370.415	4.542	20	30		FJEDHN
C[C@H](N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1)C(=O)Nc1ccccc1	ZINC000542004803	568572673	/nfs/dbraw/zinc/57/26/73/568572673.db2.gz	ALTQTWQEENANAE-ROUUACIJSA-N	0	3	369.468	4.903	20	30		FJEDHN
C[C@H](N[C@@H](C)[C@H](OC1CCOCC1)c1ccccc1)c1ccc(C#N)cc1	ZINC000182046726	568677409	/nfs/dbraw/zinc/67/74/09/568677409.db2.gz	HDTYGEMENZGOBX-BSRJHKFKSA-N	0	3	364.489	4.534	20	30		FJEDHN
N#CC1(c2ccc(Br)cc2)CCN(Cc2ccccc2)CC1	ZINC000095616907	571275948	/nfs/dbraw/zinc/27/59/48/571275948.db2.gz	LYAMUTOSGBWHBG-UHFFFAOYSA-N	0	3	355.279	4.506	20	30		FJEDHN
C[C@@H]1CSc2ccc(Br)cc2[C@@H]1N[C@H]1CCC[C@H](C#N)C1	ZINC000463282331	567831395	/nfs/dbraw/zinc/83/13/95/567831395.db2.gz	BMCPCJNAWNIKPY-CXUUEIJPSA-N	0	3	365.340	4.904	20	30		FJEDHN
N#Cc1ccc2c(c1)CCCC[C@H]2NCc1cc(Cl)c2c(c1)OCCO2	ZINC000481650003	568080180	/nfs/dbraw/zinc/08/01/80/568080180.db2.gz	KMGBQYBNGOLJSS-LJQANCHMSA-N	0	3	368.864	4.540	20	30		FJEDHN
CC(C)Oc1ccc(F)cc1NC1CCN(Cc2ccc(C#N)cc2)CC1	ZINC000541902859	568121483	/nfs/dbraw/zinc/12/14/83/568121483.db2.gz	KUWHYCPPWOSYOL-UHFFFAOYSA-N	0	3	367.468	4.561	20	30		FJEDHN
CC1CCN(c2ccc(CN[C@H]3CCCCc4cc(C#N)ccc43)cn2)CC1	ZINC000481913062	568178064	/nfs/dbraw/zinc/17/80/64/568178064.db2.gz	COOUNGQKTDEYOT-QHCPKHFHSA-N	0	3	374.532	4.747	20	30		FJEDHN
N#Cc1ccc2c(c1)CCCC[C@@H]2NCc1cc(Br)cs1	ZINC000481923791	568186462	/nfs/dbraw/zinc/18/64/62/568186462.db2.gz	OALXRUMYGBSZDE-KRWDZBQOSA-N	0	3	361.308	4.940	20	30		FJEDHN
N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@@H]1CCCOc2cc(F)ccc21	ZINC000481992191	568216013	/nfs/dbraw/zinc/21/60/13/568216013.db2.gz	QNERQYUWPFQCRI-LEWJYISDSA-N	0	3	350.437	4.968	20	30		FJEDHN
COC[C@H](N[C@H]1CCCCc2cc(C#N)ccc21)c1ccc(Cl)cc1	ZINC000481997933	568219739	/nfs/dbraw/zinc/21/97/39/568219739.db2.gz	JMHNAGHPPOOOCA-SFTDATJTSA-N	0	3	354.881	4.956	20	30		FJEDHN
N#Cc1ccc2c(c1)[C@H](N[C@@H]1CCc3c1cccc3Br)CC2	ZINC000569174533	568303857	/nfs/dbraw/zinc/30/38/57/568303857.db2.gz	NLGDKKIDPNDNKN-RTBURBONSA-N	0	3	353.263	4.585	20	30		FJEDHN
COc1cc(CN2CCC[C@H](c3nc4ccccc4s3)C2)ccc1C#N	ZINC000569190866	568306944	/nfs/dbraw/zinc/30/69/44/568306944.db2.gz	MGSJNIYIDDFRDX-KRWDZBQOSA-N	0	3	363.486	4.556	20	30		FJEDHN
C=CC[C@H](C)N[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1	ZINC000604890636	568381780	/nfs/dbraw/zinc/38/17/80/568381780.db2.gz	DSRLZASTQAEAMU-KBXCAEBGSA-N	0	3	362.395	4.939	20	30		FJEDHN
C[C@@H](N[C@@H](C)[C@H](OC1CCOCC1)c1ccccc1)c1ccc(C#N)cc1	ZINC000182046749	568677680	/nfs/dbraw/zinc/67/76/80/568677680.db2.gz	HDTYGEMENZGOBX-STSQHVNTSA-N	0	3	364.489	4.534	20	30		FJEDHN
CCc1ccc(NC(=O)C(C#N)C(=O)c2cc3c(cccc3F)s2)cc1	ZINC000108064790	209282858	/nfs/dbraw/zinc/28/28/58/209282858.db2.gz	HPFAXEKEWCNLHH-OAHLLOKOSA-N	0	3	366.417	4.564	20	30		FJEDHN
CCc1ccc(NC(=O)C(C#N)C(=O)c2cc3c(cccc3F)s2)cc1	ZINC000108064787	209282433	/nfs/dbraw/zinc/28/24/33/209282433.db2.gz	HPFAXEKEWCNLHH-HNNXBMFYSA-N	0	3	366.417	4.564	20	30		FJEDHN
Cc1nc(-c2ccc([C@@H](C)N[C@H](C)CC3(C#N)CCOCC3)cc2)cs1	ZINC000602513431	567989528	/nfs/dbraw/zinc/98/95/28/567989528.db2.gz	XVRLBGLCTFOMAL-HZPDHXFCSA-N	0	3	369.534	4.868	20	30		FJEDHN
COc1cc(CN[C@H](C)c2ccc(OC(C)C)c(Cl)c2)ccc1C#N	ZINC000568570640	568056955	/nfs/dbraw/zinc/05/69/55/568056955.db2.gz	TZLHTYWXRDSCNE-CQSZACIVSA-N	0	3	358.869	4.858	20	30		FJEDHN
N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1	ZINC000481644851	568079873	/nfs/dbraw/zinc/07/98/73/568079873.db2.gz	ULSWARMCRGSTKP-VABKMULXSA-N	0	3	364.464	4.975	20	30		FJEDHN
N#Cc1ccc2c(c1)CCCC[C@@H]2NCc1cc(Cl)c2c(c1)OCCO2	ZINC000481650002	568080169	/nfs/dbraw/zinc/08/01/69/568080169.db2.gz	KMGBQYBNGOLJSS-IBGZPJMESA-N	0	3	368.864	4.540	20	30		FJEDHN
N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@H]1CCO[C@@H]1c1ccc(F)c(F)c1	ZINC000481650404	568080512	/nfs/dbraw/zinc/08/05/12/568080512.db2.gz	NOTWUZFPTZQPND-FDFHNCONSA-N	0	3	368.427	4.724	20	30		FJEDHN
C[C@H](N[C@@H]1CCCCc2cc(C#N)ccc21)c1ccc(-n2cccn2)cc1	ZINC000481659127	568082238	/nfs/dbraw/zinc/08/22/38/568082238.db2.gz	OKCQFMUTKDMIKC-GAJHUEQPSA-N	0	3	356.473	4.862	20	30		FJEDHN
COc1ccc(OC)c([C@@H](C)N[C@H]2CCCCc3cc(C#N)ccc32)c1	ZINC000481677712	568085028	/nfs/dbraw/zinc/08/50/28/568085028.db2.gz	LRMDTWCCBWVLGB-VFNWGFHPSA-N	0	3	350.462	4.694	20	30		FJEDHN
N#CC(C(=O)c1cc2c(s1)-c1ccccc1CC2)c1nc2ccccc2[nH]1	ZINC000301764725	568118414	/nfs/dbraw/zinc/11/84/14/568118414.db2.gz	RLKGWBGNWOPNQT-MRXNPFEDSA-N	0	3	369.449	4.880	20	30		FJEDHN
CCCOc1cc(F)ccc1NC1CCN(Cc2ccc(C#N)cc2)CC1	ZINC000541901720	568123802	/nfs/dbraw/zinc/12/38/02/568123802.db2.gz	ZUYKWNWDKJNBOC-UHFFFAOYSA-N	0	3	367.468	4.563	20	30		FJEDHN
COc1cc(Cl)c(C)cc1NC1CCN(Cc2ccc(C#N)cc2)CC1	ZINC000541901429	568137325	/nfs/dbraw/zinc/13/73/25/568137325.db2.gz	SCIYLHXAAIMZPI-UHFFFAOYSA-N	0	3	369.896	4.605	20	30		FJEDHN
CCCC(=O)Nc1ccc(CN[C@H]2CCCCc3cc(C#N)ccc32)cc1	ZINC000481914399	568182139	/nfs/dbraw/zinc/18/21/39/568182139.db2.gz	KQWIUXYWFZUTGJ-QFIPXVFZSA-N	0	3	361.489	4.854	20	30		FJEDHN
Cc1nn(C(C)(C)C)cc1[C@@H](C)N[C@H]1CCCCc2cc(C#N)ccc21	ZINC000481987176	568215698	/nfs/dbraw/zinc/21/56/98/568215698.db2.gz	BDAHXMGAHYJAOX-VFNWGFHPSA-N	0	3	350.510	4.937	20	30		FJEDHN
N#CC(C(=O)c1cnc2ccsc2c1)c1nc2ccccc2n1C(F)F	ZINC000525796168	568287080	/nfs/dbraw/zinc/28/70/80/568287080.db2.gz	QCUCWXCPENDEBO-NSHDSACASA-N	0	3	368.368	4.531	20	30		FJEDHN
COc1ccc(CNCc2cc3c(s2)CCCC3)cc1OCCCC#N	ZINC000604512423	568306536	/nfs/dbraw/zinc/30/65/36/568306536.db2.gz	JINVFIVVZWPUMD-UHFFFAOYSA-N	0	3	370.518	4.608	20	30		FJEDHN
COc1ccc(CN[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1O	ZINC000541994819	568394021	/nfs/dbraw/zinc/39/40/21/568394021.db2.gz	CGYPAVOGFWHEBY-INIZCTEOSA-N	0	3	358.441	4.790	20	30		FJEDHN
N#Cc1ccc2c(c1)[C@H](NCc1ccc(COc3ccccc3)cc1)CC2	ZINC000568105390	567886076	/nfs/dbraw/zinc/88/60/76/567886076.db2.gz	JFTLSELYTWXACD-XMMPIXPASA-N	0	3	354.453	4.914	20	30		FJEDHN
N#Cc1ccc2c(c1)CCCC[C@H]2NCc1cccc(NC(=O)C2CCC2)c1	ZINC000568343823	568026585	/nfs/dbraw/zinc/02/65/85/568026585.db2.gz	VQLPUQUVWOADHF-HSZRJFAPSA-N	0	3	373.500	4.854	20	30		FJEDHN
N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1	ZINC000481644850	568080109	/nfs/dbraw/zinc/08/01/09/568080109.db2.gz	ULSWARMCRGSTKP-RJGXRXQPSA-N	0	3	364.464	4.975	20	30		FJEDHN
C[C@H](N[C@@H]1CCCCc2cc(C#N)ccc21)c1cnn(Cc2ccccc2)c1	ZINC000481645057	568080198	/nfs/dbraw/zinc/08/01/98/568080198.db2.gz	NDLMQMHVEBTDJT-MHECFPHRSA-N	0	3	370.500	4.921	20	30		FJEDHN
Cc1cc(C)n(-c2ccccc2CN[C@@H]2CCCCc3cc(C#N)ccc32)n1	ZINC000481648188	568080219	/nfs/dbraw/zinc/08/02/19/568080219.db2.gz	XATCTLIZWQCRJU-HSZRJFAPSA-N	0	3	370.500	4.918	20	30		FJEDHN
C[C@H](N[C@H]1CCCCc2cc(C#N)ccc21)c1cnn(Cc2ccccc2)c1	ZINC000481645058	568080284	/nfs/dbraw/zinc/08/02/84/568080284.db2.gz	NDLMQMHVEBTDJT-UUOWRZLLSA-N	0	3	370.500	4.921	20	30		FJEDHN
N#Cc1ccc2c(c1)CCCC[C@@H]2NCc1csc(Br)c1	ZINC000481668483	568083359	/nfs/dbraw/zinc/08/33/59/568083359.db2.gz	LICKDCMNIXBODO-INIZCTEOSA-N	0	3	361.308	4.940	20	30		FJEDHN
CCOc1cc(Cl)ccc1NC1CCN(Cc2ccc(C#N)cc2)CC1	ZINC000541901718	568119544	/nfs/dbraw/zinc/11/95/44/568119544.db2.gz	ZHRILAUETAFVGS-UHFFFAOYSA-N	0	3	369.896	4.687	20	30		FJEDHN
Cc1[nH]c2ccccc2c1C(=O)C(C#N)c1nc2ccccc2n1C(F)F	ZINC000051655946	568139602	/nfs/dbraw/zinc/13/96/02/568139602.db2.gz	YTAMLCXRDFZOEN-ZDUSSCGKSA-N	0	3	364.355	4.711	20	30		FJEDHN
C=C(C)CN1CCC(NC(=O)N(CCCC)[C@H](CC)c2ccccc2)CC1	ZINC000604083865	568209429	/nfs/dbraw/zinc/20/94/29/568209429.db2.gz	VZOPEHFTPIKQAT-JOCHJYFZSA-N	0	3	371.569	4.990	20	30		FJEDHN
N#Cc1ccc2c(c1)CCCC[C@H]2N[C@H]1CCCOc2cc(F)ccc21	ZINC000481992193	568215983	/nfs/dbraw/zinc/21/59/83/568215983.db2.gz	QNERQYUWPFQCRI-RTWAWAEBSA-N	0	3	350.437	4.968	20	30		FJEDHN
N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@@H]1CCCOc2c(F)cccc21	ZINC000482003899	568226154	/nfs/dbraw/zinc/22/61/54/568226154.db2.gz	GOFLDNOOFGDTJA-LEWJYISDSA-N	0	3	350.437	4.968	20	30		FJEDHN
N#Cc1ccc2c(c1)CCCC[C@H]2N[C@@H]1CCCOc2c(F)cccc21	ZINC000482003901	568226159	/nfs/dbraw/zinc/22/61/59/568226159.db2.gz	GOFLDNOOFGDTJA-NHCUHLMSSA-N	0	3	350.437	4.968	20	30		FJEDHN
C=CCSc1ccccc1NC(=O)CN[C@H](CC)c1ccc(OC)cc1	ZINC000302856140	568241679	/nfs/dbraw/zinc/24/16/79/568241679.db2.gz	MJZJOWFOERKBCZ-GOSISDBHSA-N	0	3	370.518	4.653	20	30		FJEDHN
CC(C)N(Cc1ccc(C#N)cc1)Cc1ccc(OCc2ccncc2)cc1	ZINC000604512516	568306539	/nfs/dbraw/zinc/30/65/39/568306539.db2.gz	QGTVJWSUPYFJHK-UHFFFAOYSA-N	0	3	371.484	4.943	20	30		FJEDHN
C[C@H](N[C@@H](C)[C@H](OC1CCOCC1)c1ccccc1)c1cccc(C#N)c1	ZINC000182046995	568677695	/nfs/dbraw/zinc/67/76/95/568677695.db2.gz	WBMWPQXJISHIJT-BSRJHKFKSA-N	0	3	364.489	4.534	20	30		FJEDHN
C[C@@H]1CSc2ccc(Br)cc2[C@@H]1N[C@H]1CCC[C@@H](C#N)C1	ZINC000463282322	567831204	/nfs/dbraw/zinc/83/12/04/567831204.db2.gz	BMCPCJNAWNIKPY-ALYFQZSWSA-N	0	3	365.340	4.904	20	30		FJEDHN
CC[C@H](C)N(CC(=O)Nc1ccccc1C(F)(F)F)C[C@H](C)CCC#N	ZINC000602431915	567979661	/nfs/dbraw/zinc/97/96/61/567979661.db2.gz	GNWDBBINDLWFKS-CABCVRRESA-N	0	3	369.431	4.684	20	30		FJEDHN
COc1ccccc1-c1csc(C2CCN(CC3(CC#N)CC3)CC2)n1	ZINC000602826038	568046417	/nfs/dbraw/zinc/04/64/17/568046417.db2.gz	IPYNGIXILKGSRY-UHFFFAOYSA-N	0	3	367.518	4.692	20	30		FJEDHN
COC(=O)CC[C@@H](N[C@H]1CCCCc2cc(C#N)ccc21)c1ccccc1	ZINC000481653017	568079891	/nfs/dbraw/zinc/07/98/91/568079891.db2.gz	SXXZOAQELOUILH-YADHBBJMSA-N	0	3	362.473	4.610	20	30		FJEDHN
C[C@@H](N[C@H]1CCCCc2cc(C#N)ccc21)c1ccc(-n2cccn2)cc1	ZINC000481659129	568081870	/nfs/dbraw/zinc/08/18/70/568081870.db2.gz	OKCQFMUTKDMIKC-HXOBKFHXSA-N	0	3	356.473	4.862	20	30		FJEDHN
CC[C@H](N[C@H]1CCCCc2cc(C#N)ccc21)c1ccc2c(c1)OCCO2	ZINC000481669660	568083776	/nfs/dbraw/zinc/08/37/76/568083776.db2.gz	KOGSOYQOVSSMRI-SFTDATJTSA-N	0	3	362.473	4.838	20	30		FJEDHN
COc1ccc(OC)c([C@@H](C)N[C@@H]2CCCCc3cc(C#N)ccc32)c1	ZINC000481677710	568085123	/nfs/dbraw/zinc/08/51/23/568085123.db2.gz	LRMDTWCCBWVLGB-QVKFZJNVSA-N	0	3	350.462	4.694	20	30		FJEDHN
Cc1nn(-c2ccccc2)c(C)c1CN[C@H]1CCCCc2cc(C#N)ccc21	ZINC000481910930	568180780	/nfs/dbraw/zinc/18/07/80/568180780.db2.gz	OIUQHCVRZYCOMU-DEOSSOPVSA-N	0	3	370.500	4.918	20	30		FJEDHN
N#Cc1ccc2c(c1)CCCC[C@H]2NCc1ccnc(OC2CCCC2)c1	ZINC000481917998	568183582	/nfs/dbraw/zinc/18/35/82/568183582.db2.gz	QDCHYNPZOZHGHZ-JOCHJYFZSA-N	0	3	361.489	4.832	20	30		FJEDHN
C=CCSc1ccccc1NC(=O)CN[C@@H](CC)c1ccc(OC)cc1	ZINC000302856141	568241660	/nfs/dbraw/zinc/24/16/60/568241660.db2.gz	MJZJOWFOERKBCZ-SFHVURJKSA-N	0	3	370.518	4.653	20	30		FJEDHN
N#Cc1ccc2c(c1)[C@@H](NCc1ccc(-c3ccc4c(c3)CCO4)cc1)CC2	ZINC000568936237	568253887	/nfs/dbraw/zinc/25/38/87/568253887.db2.gz	HREWBPYTHFSGRX-DEOSSOPVSA-N	0	3	366.464	4.937	20	30		FJEDHN
N#Cc1ccc2c(c1)[C@H](NCc1ccc(-c3ccc4c(c3)CCO4)cc1)CC2	ZINC000568936238	568253905	/nfs/dbraw/zinc/25/39/05/568253905.db2.gz	HREWBPYTHFSGRX-XMMPIXPASA-N	0	3	366.464	4.937	20	30		FJEDHN
N#Cc1cccc(/C=C/c2nc(-c3cccc(CN4CCCCC4)c3)no2)c1	ZINC000609475218	568319982	/nfs/dbraw/zinc/31/99/82/568319982.db2.gz	PVUSEOBDWOKZRP-ZHACJKMWSA-N	0	3	370.456	4.765	20	30		FJEDHN
Cc1ccc(CCN(Cc2cccc(C#N)c2)Cc2cccc(C#N)c2)o1	ZINC000031477897	568330140	/nfs/dbraw/zinc/33/01/40/568330140.db2.gz	KMOZZXNILVHENJ-UHFFFAOYSA-N	0	3	355.441	4.576	20	30		FJEDHN
C[C@H](NCc1ccc(C#N)c(F)c1)c1ccc(OCc2cccnc2)cc1	ZINC000570340366	568467502	/nfs/dbraw/zinc/46/75/02/568467502.db2.gz	WHTUOZWYMIYRHS-INIZCTEOSA-N	0	3	361.420	4.522	20	30		FJEDHN