smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@H](N[C@@H](C)c1ccc(Cl)cc1Cl)c1ccc(C#N)cc1	ZINC000021799126	182290848	/nfs/dbraw/zinc/29/08/48/182290848.db2.gz	RPUJFOAUDJVGNT-NEPJUHHUSA-N	0	1	319.235	5.277	20	30		DKEDMN
C[C@H](N[C@@H](C)c1ccc(Cl)cc1Cl)c1ccc(C#N)cc1	ZINC000021799130	182290627	/nfs/dbraw/zinc/29/06/27/182290627.db2.gz	RPUJFOAUDJVGNT-RYUDHWBXSA-N	0	1	319.235	5.277	20	30		DKEDMN
C[C@@H](N[C@H](C)c1ccc(Cl)cc1Cl)c1ccc(C#N)cc1	ZINC000021799133	182290388	/nfs/dbraw/zinc/29/03/88/182290388.db2.gz	RPUJFOAUDJVGNT-VXGBXAGGSA-N	0	1	319.235	5.277	20	30		DKEDMN
C[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1ccc(Cl)cc1Cl	ZINC000021799137	182290809	/nfs/dbraw/zinc/29/08/09/182290809.db2.gz	RPUJFOAUDJVGNT-NWDGAFQWSA-N	0	1	319.235	5.277	20	30		DKEDMN
C[C@H](N[C@@H](C)c1cc(Cl)ccc1Cl)c1ccc(C#N)cc1	ZINC000036991836	340729412	/nfs/dbraw/zinc/72/94/12/340729412.db2.gz	DGXHVGVHVRCKRD-RYUDHWBXSA-N	0	1	319.235	5.277	20	30		DKEDMN
C[C@@H](N[C@@H](C)c1cc(Cl)ccc1Cl)c1ccc(C#N)cc1	ZINC000036991837	340729499	/nfs/dbraw/zinc/72/94/99/340729499.db2.gz	DGXHVGVHVRCKRD-NEPJUHHUSA-N	0	1	319.235	5.277	20	30		DKEDMN
CC[C@H](NCc1cccc(C#N)c1)c1ccc(Cl)cc1Cl	ZINC000037748833	340786402	/nfs/dbraw/zinc/78/64/02/340786402.db2.gz	HWXJUURWRQULFI-KRWDZBQOSA-N	0	1	319.235	5.106	20	30		DKEDMN
CC[C@@H](NCc1cccc(C#N)c1)c1ccc(Cl)cc1Cl	ZINC000037748834	340786503	/nfs/dbraw/zinc/78/65/03/340786503.db2.gz	HWXJUURWRQULFI-QGZVFWFLSA-N	0	1	319.235	5.106	20	30		DKEDMN
C[C@H](N[C@@H](CCC#N)c1ccccc1)c1ccc(Cl)s1	ZINC000090664543	332092209	/nfs/dbraw/zinc/09/22/09/332092209.db2.gz	UKQJGDUJGWILJC-JSGCOSHPSA-N	0	1	304.846	5.097	20	30		DKEDMN
C[C@@H](N[C@@H](CCC#N)c1ccccc1)c1ccc(Cl)s1	ZINC000090664545	332092275	/nfs/dbraw/zinc/09/22/75/332092275.db2.gz	UKQJGDUJGWILJC-OCCSQVGLSA-N	0	1	304.846	5.097	20	30		DKEDMN
C[C@H](N[C@H](CCC#N)c1ccccc1)c1ccc(Cl)s1	ZINC000090664547	332092244	/nfs/dbraw/zinc/09/22/44/332092244.db2.gz	UKQJGDUJGWILJC-GXTWGEPZSA-N	0	1	304.846	5.097	20	30		DKEDMN
C[C@@H](N[C@H](CCC#N)c1ccccc1)c1ccc(Cl)s1	ZINC000090664550	332092256	/nfs/dbraw/zinc/09/22/56/332092256.db2.gz	UKQJGDUJGWILJC-TZMCWYRMSA-N	0	1	304.846	5.097	20	30		DKEDMN
CCSc1ccccc1[C@H](C)N[C@@H](CCC#N)c1ccccc1	ZINC000090664721	337883933	/nfs/dbraw/zinc/88/39/33/337883933.db2.gz	NRVPSTWCRQWPHV-LPHOPBHVSA-N	0	1	324.493	5.494	20	30		DKEDMN
CCSc1ccccc1[C@H](C)N[C@H](CCC#N)c1ccccc1	ZINC000090664724	337883817	/nfs/dbraw/zinc/88/38/17/337883817.db2.gz	NRVPSTWCRQWPHV-QFBILLFUSA-N	0	1	324.493	5.494	20	30		DKEDMN
C[C@@H](N[C@H](CCC#N)c1ccccc1)c1ccc(F)c(Cl)c1	ZINC000090664898	337883927	/nfs/dbraw/zinc/88/39/27/337883927.db2.gz	KJNOOYKOOUMJMQ-FZKQIMNGSA-N	0	1	316.807	5.175	20	30		DKEDMN
CC(C)Oc1ccc([C@H](C)N[C@H](CCC#N)c2ccccc2)cc1	ZINC000090665038	337883804	/nfs/dbraw/zinc/88/38/04/337883804.db2.gz	YUHKEQQMBFXXLR-LAUBAEHRSA-N	0	1	322.452	5.169	20	30		DKEDMN
CC[C@@H](N[C@@H](CCC#N)c1ccccc1)c1cc(C)ccc1OC	ZINC000090665148	337883813	/nfs/dbraw/zinc/88/38/13/337883813.db2.gz	WDESSFVDQZWPRJ-UXHICEINSA-N	0	1	322.452	5.089	20	30		DKEDMN
CC[C@@H](N[C@H](CCC#N)c1ccccc1)c1cc(C)ccc1OC	ZINC000090665150	337883821	/nfs/dbraw/zinc/88/38/21/337883821.db2.gz	WDESSFVDQZWPRJ-WOJBJXKFSA-N	0	1	322.452	5.089	20	30		DKEDMN
CSc1ccc([C@H](C)N[C@@H](CCC#N)c2ccccc2)cc1	ZINC000090665225	332092172	/nfs/dbraw/zinc/09/21/72/332092172.db2.gz	FIARHEJDWPRALN-KXBFYZLASA-N	0	1	310.466	5.104	20	30		DKEDMN
CSc1ccc([C@@H](C)N[C@@H](CCC#N)c2ccccc2)cc1	ZINC000090665226	332092002	/nfs/dbraw/zinc/09/20/02/332092002.db2.gz	FIARHEJDWPRALN-BEFAXECRSA-N	0	1	310.466	5.104	20	30		DKEDMN
CSc1ccc([C@H](C)N[C@H](CCC#N)c2ccccc2)cc1	ZINC000090665227	332091978	/nfs/dbraw/zinc/09/19/78/332091978.db2.gz	FIARHEJDWPRALN-HNAYVOBHSA-N	0	1	310.466	5.104	20	30		DKEDMN
CSc1ccc([C@@H](C)N[C@H](CCC#N)c2ccccc2)cc1	ZINC000090665228	332092249	/nfs/dbraw/zinc/09/22/49/332092249.db2.gz	FIARHEJDWPRALN-DNVCBOLYSA-N	0	1	310.466	5.104	20	30		DKEDMN
Cc1c2ccccc2oc1[C@H](C)N[C@@H](CCC#N)c1ccccc1	ZINC000090665256	337883929	/nfs/dbraw/zinc/88/39/29/337883929.db2.gz	GTIAEBHWVBXECV-LPHOPBHVSA-N	0	1	318.420	5.437	20	30		DKEDMN
C[C@H](N[C@@H](CCC#N)c1ccccc1)c1cc2ccccc2o1	ZINC000090665429	332092183	/nfs/dbraw/zinc/09/21/83/332092183.db2.gz	FPROJCJMDUVDPD-YJBOKZPZSA-N	0	1	304.393	5.128	20	30		DKEDMN
C[C@@H](N[C@@H](CCC#N)c1ccccc1)c1cc2ccccc2o1	ZINC000090665430	332092193	/nfs/dbraw/zinc/09/21/93/332092193.db2.gz	FPROJCJMDUVDPD-QAPCUYQASA-N	0	1	304.393	5.128	20	30		DKEDMN
C[C@H](N[C@H](CCC#N)c1ccccc1)c1cc2ccccc2o1	ZINC000090665431	332091982	/nfs/dbraw/zinc/09/19/82/332091982.db2.gz	FPROJCJMDUVDPD-MAUKXSAKSA-N	0	1	304.393	5.128	20	30		DKEDMN
C[C@@H](N[C@H](CCC#N)c1ccccc1)c1cc2ccccc2o1	ZINC000090665432	332092340	/nfs/dbraw/zinc/09/23/40/332092340.db2.gz	FPROJCJMDUVDPD-CRAIPNDOSA-N	0	1	304.393	5.128	20	30		DKEDMN
N#CCC[C@@H](NCc1ccc(Cl)c(Cl)c1)c1ccccc1	ZINC000130461122	341022308	/nfs/dbraw/zinc/02/23/08/341022308.db2.gz	BSZZDVSCALNBMG-QGZVFWFLSA-N	0	1	319.235	5.128	20	30		DKEDMN
N#CCC[C@H](NCc1ccc(Cl)c(Cl)c1)c1ccccc1	ZINC000130461312	341022323	/nfs/dbraw/zinc/02/23/23/341022323.db2.gz	BSZZDVSCALNBMG-KRWDZBQOSA-N	0	1	319.235	5.128	20	30		DKEDMN
N#CCC[C@@H](NCc1csc2ccccc12)c1ccccc1	ZINC000130483548	341022876	/nfs/dbraw/zinc/02/28/76/341022876.db2.gz	JBEFCPLACCBJGP-GOSISDBHSA-N	0	1	306.434	5.036	20	30		DKEDMN
N#CCC[C@H](NCc1csc2ccccc12)c1ccccc1	ZINC000130483748	341022961	/nfs/dbraw/zinc/02/29/61/341022961.db2.gz	JBEFCPLACCBJGP-SFHVURJKSA-N	0	1	306.434	5.036	20	30		DKEDMN
N#CCC[C@@H](NCc1cc(Cl)cc(Cl)c1)c1ccccc1	ZINC000130595132	341030811	/nfs/dbraw/zinc/03/08/11/341030811.db2.gz	CXQYCCPZHPYOIP-QGZVFWFLSA-N	0	1	319.235	5.128	20	30		DKEDMN
N#CCC[C@H](NCc1cc(Cl)cc(Cl)c1)c1ccccc1	ZINC000130595331	341030731	/nfs/dbraw/zinc/03/07/31/341030731.db2.gz	CXQYCCPZHPYOIP-KRWDZBQOSA-N	0	1	319.235	5.128	20	30		DKEDMN
CCCOc1ccc([C@@H](C)N[C@@H](CCC#N)c2ccccc2)cc1	ZINC000181574135	337182951	/nfs/dbraw/zinc/18/29/51/337182951.db2.gz	FTGBZRYQHLKTJH-UTKZUKDTSA-N	0	1	322.452	5.171	20	30		DKEDMN
CCCOc1ccc([C@H](C)N[C@@H](CCC#N)c2ccccc2)cc1	ZINC000181574153	337183012	/nfs/dbraw/zinc/18/30/12/337183012.db2.gz	FTGBZRYQHLKTJH-UWJYYQICSA-N	0	1	322.452	5.171	20	30		DKEDMN
CCCOc1ccc([C@@H](C)N[C@H](CCC#N)c2ccccc2)cc1	ZINC000181574169	337183030	/nfs/dbraw/zinc/18/30/30/337183030.db2.gz	FTGBZRYQHLKTJH-DYESRHJHSA-N	0	1	322.452	5.171	20	30		DKEDMN
CCCOc1ccc([C@H](C)N[C@H](CCC#N)c2ccccc2)cc1	ZINC000181574189	337183014	/nfs/dbraw/zinc/18/30/14/337183014.db2.gz	FTGBZRYQHLKTJH-LAUBAEHRSA-N	0	1	322.452	5.171	20	30		DKEDMN
C[C@H](NC(c1cccs1)c1cccs1)c1cccc(C#N)c1	ZINC000181980683	337185617	/nfs/dbraw/zinc/18/56/17/337185617.db2.gz	KKVYWEWQPFJTBT-ZDUSSCGKSA-N	0	1	324.474	5.121	20	30		DKEDMN
C[C@@H](NC(c1cccs1)c1cccs1)c1cccc(C#N)c1	ZINC000181980698	337185538	/nfs/dbraw/zinc/18/55/38/337185538.db2.gz	KKVYWEWQPFJTBT-CYBMUJFWSA-N	0	1	324.474	5.121	20	30		DKEDMN
C=C(C)[C@@H](N[C@H](C)c1sc(C)nc1C)c1ccc(F)c(F)c1	ZINC000186452802	335158150	/nfs/dbraw/zinc/15/81/50/335158150.db2.gz	IHRPWESFPNWUJI-BDJLRTHQSA-N	0	1	322.424	5.006	20	30		DKEDMN
C=C(C)[C@@H](N[C@@H](C)c1sc(C)nc1C)c1ccc(F)c(F)c1	ZINC000186452819	335158131	/nfs/dbraw/zinc/15/81/31/335158131.db2.gz	IHRPWESFPNWUJI-MEDUHNTESA-N	0	1	322.424	5.006	20	30		DKEDMN
C=C(C)[C@H](N[C@H](C)c1sc(C)nc1C)c1ccc(F)c(F)c1	ZINC000186452835	335157875	/nfs/dbraw/zinc/15/78/75/335157875.db2.gz	IHRPWESFPNWUJI-BZNIZROVSA-N	0	1	322.424	5.006	20	30		DKEDMN
C=C(C)[C@H](N[C@@H](C)c1sc(C)nc1C)c1ccc(F)c(F)c1	ZINC000186452845	335157974	/nfs/dbraw/zinc/15/79/74/335157974.db2.gz	IHRPWESFPNWUJI-ZBEGNZNMSA-N	0	1	322.424	5.006	20	30		DKEDMN
C[C@H](NC(c1cccs1)c1cccs1)c1ccc(C#N)cc1	ZINC000192988871	336286668	/nfs/dbraw/zinc/28/66/68/336286668.db2.gz	JDSSBYJPMNHCMI-ZDUSSCGKSA-N	0	1	324.474	5.121	20	30		DKEDMN
C[C@@H](NC(c1cccs1)c1cccs1)c1ccc(C#N)cc1	ZINC000192988881	336286553	/nfs/dbraw/zinc/28/65/53/336286553.db2.gz	JDSSBYJPMNHCMI-CYBMUJFWSA-N	0	1	324.474	5.121	20	30		DKEDMN
CSc1ccccc1[C@H](C)N[C@@H](CCC#N)c1ccccc1	ZINC000194935180	338782982	/nfs/dbraw/zinc/78/29/82/338782982.db2.gz	QWOSDWIHLAGUCN-YJBOKZPZSA-N	0	1	310.466	5.104	20	30		DKEDMN
CSc1ccccc1[C@H](C)N[C@H](CCC#N)c1ccccc1	ZINC000194935203	338782986	/nfs/dbraw/zinc/78/29/86/338782986.db2.gz	QWOSDWIHLAGUCN-MAUKXSAKSA-N	0	1	310.466	5.104	20	30		DKEDMN
CSc1ccccc1[C@@H](C)N[C@H](CCC#N)c1ccccc1	ZINC000194935216	338782998	/nfs/dbraw/zinc/78/29/98/338782998.db2.gz	QWOSDWIHLAGUCN-CRAIPNDOSA-N	0	1	310.466	5.104	20	30		DKEDMN
CC(C)CC[C@@H](NCc1ccc(C#N)o1)c1ccc(Cl)cc1	ZINC000236609264	341189165	/nfs/dbraw/zinc/18/91/65/341189165.db2.gz	VIQQQVLRPXLUNW-GOSISDBHSA-N	0	1	316.832	5.072	20	30		DKEDMN
CC(C)CC[C@H](NCc1ccc(C#N)o1)c1ccc(Cl)cc1	ZINC000236623925	341189624	/nfs/dbraw/zinc/18/96/24/341189624.db2.gz	VIQQQVLRPXLUNW-SFHVURJKSA-N	0	1	316.832	5.072	20	30		DKEDMN
CC(C)(C)C[C@@H](NCc1ccc(C#N)o1)c1ccc(Cl)cc1	ZINC000236627352	341190416	/nfs/dbraw/zinc/19/04/16/341190416.db2.gz	BURQFQCNXAXCRB-QGZVFWFLSA-N	0	1	316.832	5.072	20	30		DKEDMN
CC(C)(C)C[C@H](NCc1ccc(C#N)o1)c1ccc(Cl)cc1	ZINC000236631382	341190471	/nfs/dbraw/zinc/19/04/71/341190471.db2.gz	BURQFQCNXAXCRB-KRWDZBQOSA-N	0	1	316.832	5.072	20	30		DKEDMN
CC[C@@H](C)c1ccc([C@@H](NCc2ccc(C#N)o2)C(C)C)cc1	ZINC000236896790	341204097	/nfs/dbraw/zinc/20/40/97/341204097.db2.gz	MMVQFQPFPXGXTB-QRWLVFNGSA-N	0	1	310.441	5.152	20	30		DKEDMN
CC[C@@H](C)c1ccc([C@H](NCc2ccc(C#N)o2)C(C)C)cc1	ZINC000236897772	341204154	/nfs/dbraw/zinc/20/41/54/341204154.db2.gz	MMVQFQPFPXGXTB-FOIQADDNSA-N	0	1	310.441	5.152	20	30		DKEDMN
CC[C@H](C)c1ccc([C@@H](NCc2ccc(C#N)o2)C(C)C)cc1	ZINC000236909102	341204335	/nfs/dbraw/zinc/20/43/35/341204335.db2.gz	MMVQFQPFPXGXTB-YWZLYKJASA-N	0	1	310.441	5.152	20	30		DKEDMN
CC[C@H](C)c1ccc([C@H](NCc2ccc(C#N)o2)C(C)C)cc1	ZINC000236909955	341204330	/nfs/dbraw/zinc/20/43/30/341204330.db2.gz	MMVQFQPFPXGXTB-MGPUTAFESA-N	0	1	310.441	5.152	20	30		DKEDMN
Cc1cc(N[C@H](CCC#N)c2ccccc2)c2cc(F)ccc2n1	ZINC000301814535	336331871	/nfs/dbraw/zinc/33/18/71/336331871.db2.gz	ZMXSBBWBNREAHA-GOSISDBHSA-N	0	1	319.383	5.139	20	30		DKEDMN
Cc1cc(N[C@@H](CCC#N)c2ccccc2)c2cc(F)ccc2n1	ZINC000301814536	336331803	/nfs/dbraw/zinc/33/18/03/336331803.db2.gz	ZMXSBBWBNREAHA-SFHVURJKSA-N	0	1	319.383	5.139	20	30		DKEDMN
N#CCCC[C@H](NCc1cccc(F)c1Cl)c1ccccc1	ZINC000339240027	333514570	/nfs/dbraw/zinc/51/45/70/333514570.db2.gz	YPFWPIDMECHMLX-KRWDZBQOSA-N	0	1	316.807	5.004	20	30		DKEDMN
C[C@H](N[C@H](CCC#N)c1ccccc1)c1cccc(C2CC2)c1	ZINC000340308469	334164050	/nfs/dbraw/zinc/16/40/50/334164050.db2.gz	FHGRQGRDNQXTNL-HRAATJIYSA-N	0	1	304.437	5.260	20	30		DKEDMN
C[C@@H](N[C@@H](CCC#N)c1ccccc1)c1cccc(C2CC2)c1	ZINC000340308470	334164059	/nfs/dbraw/zinc/16/40/59/334164059.db2.gz	FHGRQGRDNQXTNL-IERDGZPVSA-N	0	1	304.437	5.260	20	30		DKEDMN
C[C@@H](N[C@H](CCC#N)c1ccccc1)c1cccc(C2CC2)c1	ZINC000340308471	334164073	/nfs/dbraw/zinc/16/40/73/334164073.db2.gz	FHGRQGRDNQXTNL-IIBYNOLFSA-N	0	1	304.437	5.260	20	30		DKEDMN
C[C@H](N[C@@H](CCC#N)c1ccccc1)c1cccc(C2CC2)c1	ZINC000340308472	334164125	/nfs/dbraw/zinc/16/41/25/334164125.db2.gz	FHGRQGRDNQXTNL-KKSFZXQISA-N	0	1	304.437	5.260	20	30		DKEDMN
C[C@H](N[C@H](CCCC#N)c1ccccc1)c1cccc(F)c1F	ZINC000340441989	334202561	/nfs/dbraw/zinc/20/25/61/334202561.db2.gz	DTRSYSARJZWBJY-KBXCAEBGSA-N	0	1	314.379	5.051	20	30		DKEDMN
C[C@@H](N[C@@H](CCCC#N)c1ccccc1)c1cccc(F)c1F	ZINC000340442008	334202569	/nfs/dbraw/zinc/20/25/69/334202569.db2.gz	DTRSYSARJZWBJY-KDOFPFPSSA-N	0	1	314.379	5.051	20	30		DKEDMN
C[C@H](N[C@@H](CCCC#N)c1ccccc1)c1cccc(F)c1F	ZINC000340442009	334202566	/nfs/dbraw/zinc/20/25/66/334202566.db2.gz	DTRSYSARJZWBJY-KSSFIOAISA-N	0	1	314.379	5.051	20	30		DKEDMN
C[C@@H](N[C@H](CCCC#N)c1ccccc1)c1cccc(F)c1F	ZINC000340442034	334202628	/nfs/dbraw/zinc/20/26/28/334202628.db2.gz	DTRSYSARJZWBJY-RDTXWAMCSA-N	0	1	314.379	5.051	20	30		DKEDMN
C[C@@H](N[C@H](CCCC#N)c1ccccc1)c1ccc(F)cc1F	ZINC000340456196	334207121	/nfs/dbraw/zinc/20/71/21/334207121.db2.gz	VVTFPEZXVVODHT-AUUYWEPGSA-N	0	1	314.379	5.051	20	30		DKEDMN
C[C@H](N[C@H](CCCC#N)c1ccccc1)c1ccc(F)cc1F	ZINC000340456197	334207161	/nfs/dbraw/zinc/20/71/61/334207161.db2.gz	VVTFPEZXVVODHT-IFXJQAMLSA-N	0	1	314.379	5.051	20	30		DKEDMN
C[C@@H](N[C@@H](CCCC#N)c1ccccc1)c1ccc(F)cc1F	ZINC000340456198	334207091	/nfs/dbraw/zinc/20/70/91/334207091.db2.gz	VVTFPEZXVVODHT-KUHUBIRLSA-N	0	1	314.379	5.051	20	30		DKEDMN
C[C@H](N[C@@H](CCCC#N)c1ccccc1)c1ccc(F)cc1F	ZINC000340456199	334207082	/nfs/dbraw/zinc/20/70/82/334207082.db2.gz	VVTFPEZXVVODHT-LIRRHRJNSA-N	0	1	314.379	5.051	20	30		DKEDMN
C[C@@H](N[C@H](CCCC#N)c1ccccc1)c1cc(F)ccc1F	ZINC000340457950	334207584	/nfs/dbraw/zinc/20/75/84/334207584.db2.gz	WZOWFEXZRXADTB-AUUYWEPGSA-N	0	1	314.379	5.051	20	30		DKEDMN
C[C@H](N[C@H](CCCC#N)c1ccccc1)c1cc(F)ccc1F	ZINC000340457952	334207564	/nfs/dbraw/zinc/20/75/64/334207564.db2.gz	WZOWFEXZRXADTB-IFXJQAMLSA-N	0	1	314.379	5.051	20	30		DKEDMN
C[C@@H](N[C@@H](CCCC#N)c1ccccc1)c1cc(F)ccc1F	ZINC000340457953	334207707	/nfs/dbraw/zinc/20/77/07/334207707.db2.gz	WZOWFEXZRXADTB-KUHUBIRLSA-N	0	1	314.379	5.051	20	30		DKEDMN
C[C@H](N[C@@H](CCCC#N)c1ccccc1)c1cc(F)ccc1F	ZINC000340457954	334207643	/nfs/dbraw/zinc/20/76/43/334207643.db2.gz	WZOWFEXZRXADTB-LIRRHRJNSA-N	0	1	314.379	5.051	20	30		DKEDMN
CCCCOc1ccc(CN[C@@H](CCC#N)c2ccccc2)cc1	ZINC000344822918	335281114	/nfs/dbraw/zinc/28/11/14/335281114.db2.gz	FPOIQIQAJRYMBY-NRFANRHFSA-N	0	1	322.452	5.000	20	30		DKEDMN
CCCCOc1ccc(CN[C@H](CCC#N)c2ccccc2)cc1	ZINC000344822950	335281207	/nfs/dbraw/zinc/28/12/07/335281207.db2.gz	FPOIQIQAJRYMBY-OAQYLSRUSA-N	0	1	322.452	5.000	20	30		DKEDMN
Cc1cc(Cl)cc(C)c1CN[C@@H](CCC#N)c1ccccc1	ZINC000344833529	335279041	/nfs/dbraw/zinc/27/90/41/335279041.db2.gz	XJRMNNVMRQCNTR-IBGZPJMESA-N	0	1	312.844	5.092	20	30		DKEDMN
Cc1cc(Cl)cc(C)c1CN[C@H](CCC#N)c1ccccc1	ZINC000344833563	335278858	/nfs/dbraw/zinc/27/88/58/335278858.db2.gz	XJRMNNVMRQCNTR-LJQANCHMSA-N	0	1	312.844	5.092	20	30		DKEDMN
N#CCCC[C@H](NCc1cccc(Cl)c1F)c1ccccc1	ZINC000353916263	336448121	/nfs/dbraw/zinc/44/81/21/336448121.db2.gz	PPYBEGCDVPBYTH-KRWDZBQOSA-N	0	1	316.807	5.004	20	30		DKEDMN
N#CCCC[C@@H](NCc1cccc(Cl)c1F)c1ccccc1	ZINC000353916265	336448099	/nfs/dbraw/zinc/44/80/99/336448099.db2.gz	PPYBEGCDVPBYTH-QGZVFWFLSA-N	0	1	316.807	5.004	20	30		DKEDMN
Cc1cc([C@@H](C)N[C@@H](CCC#N)c2ccccc2)cc(C)c1F	ZINC000358336082	336624639	/nfs/dbraw/zinc/62/46/39/336624639.db2.gz	CBRSIPXGEAFNMY-APWZRJJASA-N	0	1	310.416	5.138	20	30		DKEDMN
Cc1cc([C@H](C)N[C@@H](CCC#N)c2ccccc2)cc(C)c1F	ZINC000358336083	336624635	/nfs/dbraw/zinc/62/46/35/336624635.db2.gz	CBRSIPXGEAFNMY-LPHOPBHVSA-N	0	1	310.416	5.138	20	30		DKEDMN
CC[C@H](N[C@@H](CCC#N)c1ccccc1)c1ccc(Cl)cc1	ZINC000358340375	336624868	/nfs/dbraw/zinc/62/48/68/336624868.db2.gz	KUUPEDBUDSFKRD-OALUTQOASA-N	0	1	312.844	5.426	20	30		DKEDMN
CC[C@H](N[C@@H](CCC#N)c1ccccc1)c1cccc(Cl)c1	ZINC000358344683	336625176	/nfs/dbraw/zinc/62/51/76/336625176.db2.gz	XDYFMXUIXNESCI-OALUTQOASA-N	0	1	312.844	5.426	20	30		DKEDMN
CCSc1ccc([C@H](C)N[C@H](CCC#N)c2ccccc2)cc1	ZINC000358345847	336625165	/nfs/dbraw/zinc/62/51/65/336625165.db2.gz	PKXOJMJPJQWHCT-OXJNMPFZSA-N	0	1	324.493	5.494	20	30		DKEDMN
C=CCC[C@@H](N[C@@H](C)c1ccncc1Cl)c1ccccc1	ZINC000421831305	337647836	/nfs/dbraw/zinc/64/78/36/337647836.db2.gz	DSGGGRZEOMSRCU-KBXCAEBGSA-N	0	1	300.833	5.093	20	30		DKEDMN
C=CCC[C@H](N[C@H](C)c1ccncc1Cl)c1ccccc1	ZINC000421831312	337647811	/nfs/dbraw/zinc/64/78/11/337647811.db2.gz	DSGGGRZEOMSRCU-KDOFPFPSSA-N	0	1	300.833	5.093	20	30		DKEDMN
C=CCC[C@H](N[C@@H](C)c1ccncc1Cl)c1ccccc1	ZINC000421831313	337647774	/nfs/dbraw/zinc/64/77/74/337647774.db2.gz	DSGGGRZEOMSRCU-KSSFIOAISA-N	0	1	300.833	5.093	20	30		DKEDMN
C=CCC[C@@H](N[C@H](C)c1ccncc1Cl)c1ccccc1	ZINC000421831315	337647820	/nfs/dbraw/zinc/64/78/20/337647820.db2.gz	DSGGGRZEOMSRCU-RDTXWAMCSA-N	0	1	300.833	5.093	20	30		DKEDMN
Cc1ccc2cc([C@H](C)N[C@H](C)c3ccc(C#N)cc3)oc2c1	ZINC000425929040	334772276	/nfs/dbraw/zinc/77/22/76/334772276.db2.gz	LZHKBOXLNHJBDM-CABCVRRESA-N	0	1	304.393	5.025	20	30		DKEDMN
Cc1ccc2cc([C@H](C)N[C@@H](CCC#N)c3ccccc3)oc2c1	ZINC000426014782	334901647	/nfs/dbraw/zinc/90/16/47/334901647.db2.gz	DLBKWJCFBKOLQP-LPHOPBHVSA-N	0	1	318.420	5.437	20	30		DKEDMN
Cc1ccc2cc([C@H](C)N[C@H](CCC#N)c3ccccc3)oc2c1	ZINC000426014784	334901645	/nfs/dbraw/zinc/90/16/45/334901645.db2.gz	DLBKWJCFBKOLQP-QFBILLFUSA-N	0	1	318.420	5.437	20	30		DKEDMN
Cc1ccc2cc([C@@H](C)N[C@H](CCC#N)c3ccccc3)oc2c1	ZINC000426014786	334901589	/nfs/dbraw/zinc/90/15/89/334901589.db2.gz	DLBKWJCFBKOLQP-VQIMIIECSA-N	0	1	318.420	5.437	20	30		DKEDMN
C=CCC[C@H](NCc1cccc(SCC)c1)c1ccco1	ZINC000426348747	338028385	/nfs/dbraw/zinc/02/83/85/338028385.db2.gz	BXGSNICFLKRDLT-KRWDZBQOSA-N	0	1	301.455	5.189	20	30		DKEDMN
C=CCC[C@@H](NCc1cccc(SCC)c1)c1ccco1	ZINC000426348748	338028238	/nfs/dbraw/zinc/02/82/38/338028238.db2.gz	BXGSNICFLKRDLT-QGZVFWFLSA-N	0	1	301.455	5.189	20	30		DKEDMN
CC(C)c1ccc2c(c1)[C@H](N[C@H](C)c1ccc(C#N)cc1F)CC2	ZINC000427865331	332549099	/nfs/dbraw/zinc/54/90/99/332549099.db2.gz	NIQSNPDOJKUSPX-SPLOXXLWSA-N	0	1	322.427	5.159	20	30		DKEDMN
C[C@H](N[C@@H](C)c1cc(Cl)ccc1Cl)c1cccc(C#N)c1	ZINC000427871674	332550925	/nfs/dbraw/zinc/55/09/25/332550925.db2.gz	IIVXNJPQSBCNHK-RYUDHWBXSA-N	0	1	319.235	5.277	20	30		DKEDMN
C[C@@H](N[C@@H](C)c1cccc(C#N)c1)c1cc(Cl)ccc1Cl	ZINC000427874783	332551955	/nfs/dbraw/zinc/55/19/55/332551955.db2.gz	IIVXNJPQSBCNHK-NWDGAFQWSA-N	0	1	319.235	5.277	20	30		DKEDMN
C[C@@H](N[C@H](C)c1cc(Cl)ccc1Cl)c1cccc(C#N)c1	ZINC000427874786	332551950	/nfs/dbraw/zinc/55/19/50/332551950.db2.gz	IIVXNJPQSBCNHK-VXGBXAGGSA-N	0	1	319.235	5.277	20	30		DKEDMN
C=CCC[C@H](NCc1ccc(F)cc1CSC)c1ccco1	ZINC000428461384	338053363	/nfs/dbraw/zinc/05/33/63/338053363.db2.gz	PTZCTUKRBHCXNW-KRWDZBQOSA-N	0	1	319.445	5.079	20	30		DKEDMN
C=CCC[C@@H](NCc1ccc(F)cc1CSC)c1ccco1	ZINC000428461390	338053282	/nfs/dbraw/zinc/05/32/82/338053282.db2.gz	PTZCTUKRBHCXNW-QGZVFWFLSA-N	0	1	319.445	5.079	20	30		DKEDMN
N#CCCC[C@@H](NCc1c(F)cccc1Cl)c1ccccc1	ZINC000433021146	338176811	/nfs/dbraw/zinc/17/68/11/338176811.db2.gz	VXIUCPSLSCNESX-GOSISDBHSA-N	0	1	316.807	5.004	20	30		DKEDMN
N#CCCC[C@H](NCc1c(F)cccc1Cl)c1ccccc1	ZINC000433021147	338176799	/nfs/dbraw/zinc/17/67/99/338176799.db2.gz	VXIUCPSLSCNESX-SFHVURJKSA-N	0	1	316.807	5.004	20	30		DKEDMN
N#CCCC[C@@H](NCc1cc(F)ccc1Cl)c1ccccc1	ZINC000433027752	338177185	/nfs/dbraw/zinc/17/71/85/338177185.db2.gz	WSPYSQSXJPDLJZ-GOSISDBHSA-N	0	1	316.807	5.004	20	30		DKEDMN
N#CCCC[C@H](NCc1cc(F)ccc1Cl)c1ccccc1	ZINC000433027753	338177243	/nfs/dbraw/zinc/17/72/43/338177243.db2.gz	WSPYSQSXJPDLJZ-SFHVURJKSA-N	0	1	316.807	5.004	20	30		DKEDMN
Cc1nc(SCCCCC(C)(C)C#N)[nH]c1-c1ccccc1	ZINC000436254436	338263774	/nfs/dbraw/zinc/26/37/74/338263774.db2.gz	QWVDKAIFSXEBGN-UHFFFAOYSA-N	0	1	313.470	5.197	20	30		DKEDMN
CC[C@H](NCc1ccc(C#N)cc1Cl)c1cccc(Cl)c1	ZINC000439426754	338369017	/nfs/dbraw/zinc/36/90/17/338369017.db2.gz	BYCIOQHAYKFZTO-KRWDZBQOSA-N	0	1	319.235	5.106	20	30		DKEDMN
CC[C@@H](NCc1ccc(C#N)cc1Cl)c1cccc(Cl)c1	ZINC000439426765	338369113	/nfs/dbraw/zinc/36/91/13/338369113.db2.gz	BYCIOQHAYKFZTO-QGZVFWFLSA-N	0	1	319.235	5.106	20	30		DKEDMN
CC[C@H](NCc1ccc(C#N)cc1Cl)c1ccc(Cl)cc1	ZINC000439433035	338369289	/nfs/dbraw/zinc/36/92/89/338369289.db2.gz	XZIJSZVKOSRELI-KRWDZBQOSA-N	0	1	319.235	5.106	20	30		DKEDMN
CC[C@@H](NCc1ccc(C#N)cc1Cl)c1ccc(Cl)cc1	ZINC000439433036	338369327	/nfs/dbraw/zinc/36/93/27/338369327.db2.gz	XZIJSZVKOSRELI-QGZVFWFLSA-N	0	1	319.235	5.106	20	30		DKEDMN
CC(C)C[C@H](NCc1ccc(C#N)cc1Cl)c1cccs1	ZINC000439433133	338369207	/nfs/dbraw/zinc/36/92/07/338369207.db2.gz	ALRREOPIGKQTQE-INIZCTEOSA-N	0	1	318.873	5.150	20	30		DKEDMN
CC(C)C[C@@H](NCc1ccc(C#N)cc1Cl)c1cccs1	ZINC000439433134	338369309	/nfs/dbraw/zinc/36/93/09/338369309.db2.gz	ALRREOPIGKQTQE-MRXNPFEDSA-N	0	1	318.873	5.150	20	30		DKEDMN
C=CCC[C@H](NCc1ccc(C#N)cc1Cl)c1ccccc1	ZINC000439434838	338369205	/nfs/dbraw/zinc/36/92/05/338369205.db2.gz	UABDMTCQCWMTFR-IBGZPJMESA-N	0	1	310.828	5.009	20	30		DKEDMN
C=CCC[C@@H](NCc1ccc(C#N)cc1Cl)c1ccccc1	ZINC000439434947	338369297	/nfs/dbraw/zinc/36/92/97/338369297.db2.gz	UABDMTCQCWMTFR-LJQANCHMSA-N	0	1	310.828	5.009	20	30		DKEDMN
CC(C)(C)[C@H](NCc1ccc(C#N)cc1Cl)c1ccccc1	ZINC000439444419	338369698	/nfs/dbraw/zinc/36/96/98/338369698.db2.gz	UTYQDSDBMROZGA-GOSISDBHSA-N	0	1	312.844	5.089	20	30		DKEDMN
CC(C)(C)[C@@H](NCc1ccc(C#N)cc1Cl)c1ccccc1	ZINC000439444431	338369630	/nfs/dbraw/zinc/36/96/30/338369630.db2.gz	UTYQDSDBMROZGA-SFHVURJKSA-N	0	1	312.844	5.089	20	30		DKEDMN
C[C@H](NCc1ccc(C#N)cc1Cl)c1cccc2ccccc21	ZINC000439461355	334180566	/nfs/dbraw/zinc/18/05/66/334180566.db2.gz	ZZGHEKJOHSVTEY-AWEZNQCLSA-N	0	1	320.823	5.216	20	30		DKEDMN
C[C@@H](NCc1ccc(C#N)cc1Cl)c1cccc2ccccc21	ZINC000439461357	334180532	/nfs/dbraw/zinc/18/05/32/334180532.db2.gz	ZZGHEKJOHSVTEY-CQSZACIVSA-N	0	1	320.823	5.216	20	30		DKEDMN
CC[C@@H](NCc1ccc(Cl)cc1Cl)c1ccc(C#N)cc1	ZINC000447520046	338553702	/nfs/dbraw/zinc/55/37/02/338553702.db2.gz	SAFYGGKAKDHODZ-QGZVFWFLSA-N	0	1	319.235	5.106	20	30		DKEDMN
CC[C@@H](N[C@H](CC)c1ccc(F)cc1F)c1ccc(C#N)cc1	ZINC000447542409	338555717	/nfs/dbraw/zinc/55/57/17/338555717.db2.gz	OZXIYKCXSWHZML-RTBURBONSA-N	0	1	314.379	5.028	20	30		DKEDMN
CC[C@H](NCc1ccc(-c2ccccc2)o1)c1ccc(C#N)cc1	ZINC000447563366	338557101	/nfs/dbraw/zinc/55/71/01/338557101.db2.gz	PPZJSPVNYFGIPZ-FQEVSTJZSA-N	0	1	316.404	5.059	20	30		DKEDMN
CC[C@@H](NCc1ccc(-c2ccccc2)o1)c1ccc(C#N)cc1	ZINC000447563368	338557103	/nfs/dbraw/zinc/55/71/03/338557103.db2.gz	PPZJSPVNYFGIPZ-HXUWFJFHSA-N	0	1	316.404	5.059	20	30		DKEDMN
CC[C@@H](N[C@@H](CC)c1cc(F)ccc1F)c1ccc(C#N)cc1	ZINC000447588541	338559901	/nfs/dbraw/zinc/55/99/01/338559901.db2.gz	URPWUNGCFZYAGD-MOPGFXCFSA-N	0	1	314.379	5.028	20	30		DKEDMN
CC[C@@H](N[C@@H](CC)c1ccc(C#N)cc1)c1cc(F)ccc1F	ZINC000447588545	338559904	/nfs/dbraw/zinc/55/99/04/338559904.db2.gz	URPWUNGCFZYAGD-RBUKOAKNSA-N	0	1	314.379	5.028	20	30		DKEDMN
CC[C@@H](N[C@H](CC)c1cc(F)ccc1F)c1ccc(C#N)cc1	ZINC000447588547	338559821	/nfs/dbraw/zinc/55/98/21/338559821.db2.gz	URPWUNGCFZYAGD-RTBURBONSA-N	0	1	314.379	5.028	20	30		DKEDMN
C=CCC[C@@H](NCc1ncc(C(C)(C)C)s1)c1ccccc1	ZINC000447899136	338570920	/nfs/dbraw/zinc/57/09/20/338570920.db2.gz	QPSLXQHUADYYFO-MRXNPFEDSA-N	0	1	314.498	5.238	20	30		DKEDMN
CC(C)[C@H]1C[C@@H](N[C@@H](C)c2ccc(C#N)cc2F)c2ccccc21	ZINC000448024720	332190877	/nfs/dbraw/zinc/19/08/77/332190877.db2.gz	ZWKXPVKFHHBOTC-UQIDSAAFSA-N	0	1	322.427	5.233	20	30		DKEDMN
CC(C)[C@H]1C[C@@H](N[C@H](C)c2ccc(C#N)cc2F)c2ccccc21	ZINC000448024721	332191068	/nfs/dbraw/zinc/19/10/68/332191068.db2.gz	ZWKXPVKFHHBOTC-YFZFPPMRSA-N	0	1	322.427	5.233	20	30		DKEDMN
CC[C@H](N[C@H](C)c1ccc(C#N)cc1)c1cccc(Cl)c1F	ZINC000461089970	339058941	/nfs/dbraw/zinc/05/89/41/339058941.db2.gz	RYIZLNIWXIVLOW-PXAZEXFGSA-N	0	1	316.807	5.153	20	30		DKEDMN
CC[C@H](N[C@@H](C)c1ccc(C#N)cc1)c1cccc(Cl)c1F	ZINC000461089971	339058957	/nfs/dbraw/zinc/05/89/57/339058957.db2.gz	RYIZLNIWXIVLOW-SJCJKPOMSA-N	0	1	316.807	5.153	20	30		DKEDMN
CC[C@@H](N[C@H](C)c1ccc(C#N)cc1)c1cccc(Cl)c1F	ZINC000461089972	339058979	/nfs/dbraw/zinc/05/89/79/339058979.db2.gz	RYIZLNIWXIVLOW-SJKOYZFVSA-N	0	1	316.807	5.153	20	30		DKEDMN
CC[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1cccc(Cl)c1F	ZINC000461089973	339059002	/nfs/dbraw/zinc/05/90/02/339059002.db2.gz	RYIZLNIWXIVLOW-YVEFUNNKSA-N	0	1	316.807	5.153	20	30		DKEDMN
CC#CCCN1CCC[C@@H]1c1nc(-c2ccccc2)c(C(C)C)o1	ZINC000462334669	339076022	/nfs/dbraw/zinc/07/60/22/339076022.db2.gz	RQPBJOOUTKPPJO-GOSISDBHSA-N	0	1	322.452	5.015	20	30		DKEDMN
CC#CCCN1CCC[C@H]1c1nc(-c2ccccc2)c(C(C)C)o1	ZINC000462334671	339076026	/nfs/dbraw/zinc/07/60/26/339076026.db2.gz	RQPBJOOUTKPPJO-SFHVURJKSA-N	0	1	322.452	5.015	20	30		DKEDMN
C[C@H](NCc1ccccc1C#N)c1ccc(Cl)c2ccccc21	ZINC000462466524	339079551	/nfs/dbraw/zinc/07/95/51/339079551.db2.gz	WHXVYMUEEZQGTL-AWEZNQCLSA-N	0	1	320.823	5.216	20	30		DKEDMN
C[C@@H](NCc1ccccc1C#N)c1ccc(Cl)c2ccccc21	ZINC000462466526	339079506	/nfs/dbraw/zinc/07/95/06/339079506.db2.gz	WHXVYMUEEZQGTL-CQSZACIVSA-N	0	1	320.823	5.216	20	30		DKEDMN
C=C(C)[C@H](NCc1cccc(C(F)F)c1)c1ccc(F)c(F)c1	ZINC000470762595	339327105	/nfs/dbraw/zinc/32/71/05/339327105.db2.gz	VTTMCBGAFLYMII-KRWDZBQOSA-N	0	1	323.333	5.309	20	30		DKEDMN
C=C(C)[C@@H](NCc1cccc(C(F)F)c1)c1ccc(F)c(F)c1	ZINC000470762596	339326963	/nfs/dbraw/zinc/32/69/63/339326963.db2.gz	VTTMCBGAFLYMII-QGZVFWFLSA-N	0	1	323.333	5.309	20	30		DKEDMN
C=C(C)CN1CCC[C@H]1c1nc(-c2ccccc2)c(C(C)C)o1	ZINC000471175906	339339546	/nfs/dbraw/zinc/33/95/46/339339546.db2.gz	IWHMHRORSLXXHR-KRWDZBQOSA-N	0	1	310.441	5.178	20	30		DKEDMN
C=C(C)CN1CCC[C@@H]1c1nc(-c2ccccc2)c(C(C)C)o1	ZINC000471175907	339339524	/nfs/dbraw/zinc/33/95/24/339339524.db2.gz	IWHMHRORSLXXHR-QGZVFWFLSA-N	0	1	310.441	5.178	20	30		DKEDMN
C=C(C)[C@@H](NCc1ccc(SC)cc1)c1ccc(F)c(F)c1	ZINC000479399345	339533063	/nfs/dbraw/zinc/53/30/63/339533063.db2.gz	VNQJAXFSUFHDKP-GOSISDBHSA-N	0	1	319.420	5.094	20	30		DKEDMN
C=C(C)[C@H](NCc1ccc(SC)cc1)c1ccc(F)c(F)c1	ZINC000479399347	339533092	/nfs/dbraw/zinc/53/30/92/339533092.db2.gz	VNQJAXFSUFHDKP-SFHVURJKSA-N	0	1	319.420	5.094	20	30		DKEDMN
C=C(C)[C@@H](NCc1coc2ccccc12)c1ccc(F)c(F)c1	ZINC000479410094	339533566	/nfs/dbraw/zinc/53/35/66/339533566.db2.gz	QQFFBSLNDOXVDS-LJQANCHMSA-N	0	1	313.347	5.118	20	30		DKEDMN
C=C(C)[C@@H](N[C@H](C)c1ccc(F)cc1)c1ccc(F)c(F)c1	ZINC000480658608	339581560	/nfs/dbraw/zinc/58/15/60/339581560.db2.gz	LALWNSISXZUARL-KZULUSFZSA-N	0	1	305.343	5.072	20	30		DKEDMN
C=C(C)[C@H](N[C@@H](C)c1sccc1C)c1ccc(F)c(F)c1	ZINC000480659199	336065534	/nfs/dbraw/zinc/06/55/34/336065534.db2.gz	CVNHPDCDJQTTOG-LRDDRELGSA-N	0	1	307.409	5.303	20	30		DKEDMN
C=C(C)[C@@H](N[C@H](C)c1sccc1C)c1ccc(F)c(F)c1	ZINC000480659200	336066018	/nfs/dbraw/zinc/06/60/18/336066018.db2.gz	CVNHPDCDJQTTOG-MLGOLLRUSA-N	0	1	307.409	5.303	20	30		DKEDMN
C=C(C)[C@H](N[C@H](C)c1sccc1C)c1ccc(F)c(F)c1	ZINC000480659201	336065865	/nfs/dbraw/zinc/06/58/65/336065865.db2.gz	CVNHPDCDJQTTOG-WBMJQRKESA-N	0	1	307.409	5.303	20	30		DKEDMN
C=C(C)[C@@H](N[C@H](CC)c1cccs1)c1ccc(F)c(F)c1	ZINC000480698731	339583869	/nfs/dbraw/zinc/58/38/69/339583869.db2.gz	MXWZGOLWGURQQT-NVXWUHKLSA-N	0	1	307.409	5.384	20	30		DKEDMN
C=C(C)[C@H](N[C@H](CC)c1cccs1)c1ccc(F)c(F)c1	ZINC000480698734	339583884	/nfs/dbraw/zinc/58/38/84/339583884.db2.gz	MXWZGOLWGURQQT-WBVHZDCISA-N	0	1	307.409	5.384	20	30		DKEDMN
C[C@@H](NCc1ccc(Cl)cc1C#N)c1cccc2ccccc21	ZINC000480874500	339589201	/nfs/dbraw/zinc/58/92/01/339589201.db2.gz	XVFPAPMNZKAXLB-CQSZACIVSA-N	0	1	320.823	5.216	20	30		DKEDMN
C=CCC[C@H](NCc1ccc(Cl)cc1C#N)c1ccccc1	ZINC000480880358	339589544	/nfs/dbraw/zinc/58/95/44/339589544.db2.gz	VLKUBGYZWDNYGV-IBGZPJMESA-N	0	1	310.828	5.009	20	30		DKEDMN
C=CCC[C@@H](NCc1ccc(Cl)cc1C#N)c1ccccc1	ZINC000480880359	339589505	/nfs/dbraw/zinc/58/95/05/339589505.db2.gz	VLKUBGYZWDNYGV-LJQANCHMSA-N	0	1	310.828	5.009	20	30		DKEDMN
CC(C)C[C@@H](NCc1ccc(Cl)cc1C#N)c1cccs1	ZINC000481043189	339594095	/nfs/dbraw/zinc/59/40/95/339594095.db2.gz	DTIFWUADEPSRIS-MRXNPFEDSA-N	0	1	318.873	5.150	20	30		DKEDMN
Cc1cc(CN[C@H](C)c2cccc(Cl)c2Cl)ccc1C#N	ZINC000488105563	339770444	/nfs/dbraw/zinc/77/04/44/339770444.db2.gz	CVQZRTMDISYSRT-GFCCVEGCSA-N	0	1	319.235	5.024	20	30		DKEDMN
Cc1cc(CN[C@H](C)c2ccc(Cl)cc2Cl)ccc1C#N	ZINC000488189511	339772867	/nfs/dbraw/zinc/77/28/67/339772867.db2.gz	ZSZWLNRFDBQFRJ-GFCCVEGCSA-N	0	1	319.235	5.024	20	30		DKEDMN
Cc1cc(CN[C@@H](C)c2ccc(Cl)cc2Cl)ccc1C#N	ZINC000488189512	339772954	/nfs/dbraw/zinc/77/29/54/339772954.db2.gz	ZSZWLNRFDBQFRJ-LBPRGKRZSA-N	0	1	319.235	5.024	20	30		DKEDMN
C[C@@H](c1ccc2ccccc2c1)N(Cc1ccc(C#N)o1)C1CC1	ZINC000511776490	340338112	/nfs/dbraw/zinc/33/81/12/340338112.db2.gz	LDJAOMHIPNMHGG-HNNXBMFYSA-N	0	1	316.404	5.030	20	30		DKEDMN
C[C@H](c1ccc2ccccc2c1)N(Cc1ccc(C#N)o1)C1CC1	ZINC000511776491	340338097	/nfs/dbraw/zinc/33/80/97/340338097.db2.gz	LDJAOMHIPNMHGG-OAHLLOKOSA-N	0	1	316.404	5.030	20	30		DKEDMN
C=C(C)[C@H](NCc1ccc2occc2c1)c1ccc(F)c(F)c1	ZINC000511913163	340342785	/nfs/dbraw/zinc/34/27/85/340342785.db2.gz	VXUQRWDYIMPRMZ-IBGZPJMESA-N	0	1	313.347	5.118	20	30		DKEDMN
C=C(C)[C@@H](NCc1ccc2occc2c1)c1ccc(F)c(F)c1	ZINC000511913164	340342702	/nfs/dbraw/zinc/34/27/02/340342702.db2.gz	VXUQRWDYIMPRMZ-LJQANCHMSA-N	0	1	313.347	5.118	20	30		DKEDMN
CC[C@@H](N[C@@H](C)c1ccc(C#N)cc1F)c1cccc(Cl)c1	ZINC000512621515	340369523	/nfs/dbraw/zinc/36/95/23/340369523.db2.gz	YWHQPUMWTNUFFW-KPZWWZAWSA-N	0	1	316.807	5.153	20	30		DKEDMN
CC[C@@H](N[C@H](C)c1ccc(C#N)cc1F)c1cccc(Cl)c1	ZINC000512621516	340369504	/nfs/dbraw/zinc/36/95/04/340369504.db2.gz	YWHQPUMWTNUFFW-KZULUSFZSA-N	0	1	316.807	5.153	20	30		DKEDMN
CC[C@H](N[C@@H](C)c1ccc(C#N)cc1F)c1cccc(Cl)c1	ZINC000512621517	340369589	/nfs/dbraw/zinc/36/95/89/340369589.db2.gz	YWHQPUMWTNUFFW-SGTLLEGYSA-N	0	1	316.807	5.153	20	30		DKEDMN
CC[C@H](N[C@H](C)c1ccc(C#N)cc1F)c1cccc(Cl)c1	ZINC000512621518	340369550	/nfs/dbraw/zinc/36/95/50/340369550.db2.gz	YWHQPUMWTNUFFW-XIKOKIGWSA-N	0	1	316.807	5.153	20	30		DKEDMN
CC(C)c1ccc([C@@H](C)N[C@@H](C)c2ccc(C#N)cc2F)cc1	ZINC000512625783	340369759	/nfs/dbraw/zinc/36/97/59/340369759.db2.gz	QMDQPIWONFCKGW-CABCVRRESA-N	0	1	310.416	5.233	20	30		DKEDMN
CC(C)c1ccc([C@H](C)N[C@@H](C)c2ccc(C#N)cc2F)cc1	ZINC000512625786	340369638	/nfs/dbraw/zinc/36/96/38/340369638.db2.gz	QMDQPIWONFCKGW-GJZGRUSLSA-N	0	1	310.416	5.233	20	30		DKEDMN
CC(C)c1ccc([C@@H](C)N[C@H](C)c2ccc(C#N)cc2F)cc1	ZINC000512625788	340369621	/nfs/dbraw/zinc/36/96/21/340369621.db2.gz	QMDQPIWONFCKGW-HUUCEWRRSA-N	0	1	310.416	5.233	20	30		DKEDMN
CC(C)c1ccc([C@H](C)N[C@H](C)c2ccc(C#N)cc2F)cc1	ZINC000512625789	340369753	/nfs/dbraw/zinc/36/97/53/340369753.db2.gz	QMDQPIWONFCKGW-LSDHHAIUSA-N	0	1	310.416	5.233	20	30		DKEDMN
C[C@@H](N[C@@H](C)c1ccc(C#N)cc1F)c1ccc2ccccc2c1	ZINC000512632247	340370208	/nfs/dbraw/zinc/37/02/08/340370208.db2.gz	YFQITNTZCNYBPD-CABCVRRESA-N	0	1	318.395	5.262	20	30		DKEDMN
C[C@H](N[C@@H](C)c1ccc(C#N)cc1F)c1ccc2ccccc2c1	ZINC000512632248	340370216	/nfs/dbraw/zinc/37/02/16/340370216.db2.gz	YFQITNTZCNYBPD-GJZGRUSLSA-N	0	1	318.395	5.262	20	30		DKEDMN
C[C@@H](N[C@H](C)c1ccc(C#N)cc1F)c1ccc2ccccc2c1	ZINC000512632249	340370196	/nfs/dbraw/zinc/37/01/96/340370196.db2.gz	YFQITNTZCNYBPD-HUUCEWRRSA-N	0	1	318.395	5.262	20	30		DKEDMN
C[C@@H](N[C@@H](C)c1ccc2ccccc2c1)c1ccc(C#N)cc1F	ZINC000512632250	340370142	/nfs/dbraw/zinc/37/01/42/340370142.db2.gz	YFQITNTZCNYBPD-LSDHHAIUSA-N	0	1	318.395	5.262	20	30		DKEDMN
CC[C@H](N[C@@H](C)c1ccc(C#N)cc1F)c1ccc(Cl)s1	ZINC000512642385	340370596	/nfs/dbraw/zinc/37/05/96/340370596.db2.gz	PDNTYDMNFCNRFX-HZMBPMFUSA-N	0	1	322.836	5.214	20	30		DKEDMN
CC[C@@H](N[C@@H](C)c1ccc(C#N)cc1F)c1ccc(Cl)s1	ZINC000512642386	340370642	/nfs/dbraw/zinc/37/06/42/340370642.db2.gz	PDNTYDMNFCNRFX-IINYFYTJSA-N	0	1	322.836	5.214	20	30		DKEDMN
CC[C@@H](N[C@H](C)c1ccc(C#N)cc1F)c1ccc(Cl)s1	ZINC000512642387	340370625	/nfs/dbraw/zinc/37/06/25/340370625.db2.gz	PDNTYDMNFCNRFX-QMTHXVAHSA-N	0	1	322.836	5.214	20	30		DKEDMN
CC[C@H](N[C@H](C)c1ccc(C#N)cc1F)c1ccc(Cl)s1	ZINC000512642388	340370656	/nfs/dbraw/zinc/37/06/56/340370656.db2.gz	PDNTYDMNFCNRFX-YGRLFVJLSA-N	0	1	322.836	5.214	20	30		DKEDMN
CC[C@@H](N[C@@H](C)c1ccc(C#N)cc1F)c1ccc(Cl)cc1	ZINC000512658965	340371419	/nfs/dbraw/zinc/37/14/19/340371419.db2.gz	BGHOUUJIYXBSFG-KPZWWZAWSA-N	0	1	316.807	5.153	20	30		DKEDMN
CC[C@@H](N[C@H](C)c1ccc(C#N)cc1F)c1ccc(Cl)cc1	ZINC000512658966	340371506	/nfs/dbraw/zinc/37/15/06/340371506.db2.gz	BGHOUUJIYXBSFG-KZULUSFZSA-N	0	1	316.807	5.153	20	30		DKEDMN
CC[C@H](N[C@@H](C)c1ccc(C#N)cc1F)c1ccc(Cl)cc1	ZINC000512658967	340371454	/nfs/dbraw/zinc/37/14/54/340371454.db2.gz	BGHOUUJIYXBSFG-SGTLLEGYSA-N	0	1	316.807	5.153	20	30		DKEDMN
CC[C@H](N[C@H](C)c1ccc(C#N)cc1F)c1ccc(Cl)cc1	ZINC000512658968	340371488	/nfs/dbraw/zinc/37/14/88/340371488.db2.gz	BGHOUUJIYXBSFG-XIKOKIGWSA-N	0	1	316.807	5.153	20	30		DKEDMN
C[C@@H](N[C@H](C)c1ccc(C#N)cc1F)c1cc2ccccc2s1	ZINC000512668845	340372158	/nfs/dbraw/zinc/37/21/58/340372158.db2.gz	WVUXABQPJCWRHO-CHWSQXEVSA-N	0	1	324.424	5.324	20	30		DKEDMN
C[C@@H](N[C@@H](C)c1cc2ccccc2s1)c1ccc(C#N)cc1F	ZINC000512668847	340372165	/nfs/dbraw/zinc/37/21/65/340372165.db2.gz	WVUXABQPJCWRHO-OLZOCXBDSA-N	0	1	324.424	5.324	20	30		DKEDMN
C[C@@H](N[C@@H](C)c1ccc(C#N)cc1F)c1cc2ccccc2s1	ZINC000512668848	340372141	/nfs/dbraw/zinc/37/21/41/340372141.db2.gz	WVUXABQPJCWRHO-QWHCGFSZSA-N	0	1	324.424	5.324	20	30		DKEDMN
C[C@H](N[C@@H](C)c1ccc(C#N)cc1F)c1cc2ccccc2s1	ZINC000512668850	340372200	/nfs/dbraw/zinc/37/22/00/340372200.db2.gz	WVUXABQPJCWRHO-STQMWFEESA-N	0	1	324.424	5.324	20	30		DKEDMN
C=CCC[C@@H](NCc1ccc(C(F)(F)F)cc1)c1ccco1	ZINC000513671798	340418520	/nfs/dbraw/zinc/41/85/20/340418520.db2.gz	FVZJSFUOBAMOOR-OAHLLOKOSA-N	0	1	309.331	5.096	20	30		DKEDMN
C=CCC[C@H](N[C@@H]1CCSc2c(F)cccc21)c1ccco1	ZINC000513692069	340419747	/nfs/dbraw/zinc/41/97/47/340419747.db2.gz	YEMFQHPTJSOZDV-CVEARBPZSA-N	0	1	317.429	5.253	20	30		DKEDMN
C=CCC[C@H](NCc1cccc(C(F)(F)F)c1)c1ccco1	ZINC000514105306	336354795	/nfs/dbraw/zinc/35/47/95/336354795.db2.gz	QKLIJKGSEOUCGW-HNNXBMFYSA-N	0	1	309.331	5.096	20	30		DKEDMN
C=CCC[C@@H](NCc1cccc(C(F)(F)F)c1)c1ccco1	ZINC000514105307	336354872	/nfs/dbraw/zinc/35/48/72/336354872.db2.gz	QKLIJKGSEOUCGW-OAHLLOKOSA-N	0	1	309.331	5.096	20	30		DKEDMN
C[C@@H](N[C@@H](C)c1ccc(-c2ccccc2)o1)c1ccc(C#N)cc1	ZINC000531951502	334309225	/nfs/dbraw/zinc/30/92/25/334309225.db2.gz	OHGFTKGNKNOZEJ-CVEARBPZSA-N	0	1	316.404	5.230	20	30		DKEDMN
C[C@H](N[C@@H](C)c1ccc(C#N)cc1)c1ccc(-c2ccccc2)o1	ZINC000531951503	334309474	/nfs/dbraw/zinc/30/94/74/334309474.db2.gz	OHGFTKGNKNOZEJ-HOTGVXAUSA-N	0	1	316.404	5.230	20	30		DKEDMN
C[C@@H](N[C@H](C)c1ccc(C#N)cc1)c1ccc(-c2ccccc2)o1	ZINC000531951504	334309220	/nfs/dbraw/zinc/30/92/20/334309220.db2.gz	OHGFTKGNKNOZEJ-HZPDHXFCSA-N	0	1	316.404	5.230	20	30		DKEDMN
C[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1ccc(-c2ccccc2)o1	ZINC000531951505	334309360	/nfs/dbraw/zinc/30/93/60/334309360.db2.gz	OHGFTKGNKNOZEJ-JKSUJKDBSA-N	0	1	316.404	5.230	20	30		DKEDMN
CC(C)(C)c1ccc(CN[C@H](CCC#N)c2ccccc2)cc1	ZINC000533496309	331548609	/nfs/dbraw/zinc/54/86/09/331548609.db2.gz	HGIWKZQADNWORN-HXUWFJFHSA-N	0	1	306.453	5.119	20	30		DKEDMN
C=CCC[C@H](NCc1ccn(C(CC)CC)n1)c1ccccc1	ZINC000537157591	337902045	/nfs/dbraw/zinc/90/20/45/337902045.db2.gz	NVJLRKSQIIIDNP-FQEVSTJZSA-N	0	1	311.473	5.041	20	30		DKEDMN
C=CCC[C@@H](NCc1ccn(C(CC)CC)n1)c1ccccc1	ZINC000537157592	337901979	/nfs/dbraw/zinc/90/19/79/337901979.db2.gz	NVJLRKSQIIIDNP-HXUWFJFHSA-N	0	1	311.473	5.041	20	30		DKEDMN
C[C@H](N[C@H](CCC#N)c1ccccc1)c1ccc2ccccc2c1	ZINC000537950263	331565764	/nfs/dbraw/zinc/56/57/64/331565764.db2.gz	OUMHMEOVEAKKAJ-HTAPYJJXSA-N	0	1	314.432	5.535	20	30		DKEDMN
CCCc1ccc([C@@H](C)N[C@@H](CCC#N)c2ccccc2)cc1	ZINC000537951265	340792850	/nfs/dbraw/zinc/79/28/50/340792850.db2.gz	GXSNQNHASCLMFK-UTKZUKDTSA-N	0	1	306.453	5.335	20	30		DKEDMN
CCCc1ccc([C@H](C)N[C@@H](CCC#N)c2ccccc2)cc1	ZINC000537951266	340792873	/nfs/dbraw/zinc/79/28/73/340792873.db2.gz	GXSNQNHASCLMFK-UWJYYQICSA-N	0	1	306.453	5.335	20	30		DKEDMN
C=CCC[C@@H](NCc1nc(C(C)(C)C)cs1)c1ccccc1	ZINC000538260121	340815298	/nfs/dbraw/zinc/81/52/98/340815298.db2.gz	XPIQRRVVZKUKNX-MRXNPFEDSA-N	0	1	314.498	5.238	20	30		DKEDMN
CCC[C@H](N[C@@H](C)c1cccc(C#N)c1)c1ccc(F)cc1F	ZINC000538396216	340820872	/nfs/dbraw/zinc/82/08/72/340820872.db2.gz	WQVWKFQVZHZDRJ-DJJJIMSYSA-N	0	1	314.379	5.028	20	30		DKEDMN
CCC[C@H](N[C@H](C)c1cccc(C#N)c1)c1ccc(F)cc1F	ZINC000538396220	331514344	/nfs/dbraw/zinc/51/43/44/331514344.db2.gz	WQVWKFQVZHZDRJ-YJYMSZOUSA-N	0	1	314.379	5.028	20	30		DKEDMN
N#CCC[C@H](N[C@H]1CCCc2ccc(Cl)cc21)c1ccccc1	ZINC000539048284	340867491	/nfs/dbraw/zinc/86/74/91/340867491.db2.gz	DETVGWGDGWHPDB-PMACEKPBSA-N	0	1	324.855	5.352	20	30		DKEDMN
N#CCC[C@H](N[C@@H]1CCCc2ccc(Cl)cc21)c1ccccc1	ZINC000539048286	340867389	/nfs/dbraw/zinc/86/73/89/340867389.db2.gz	DETVGWGDGWHPDB-VQTJNVASSA-N	0	1	324.855	5.352	20	30		DKEDMN
N#CCC[C@@H](N[C@@H]1CCCc2ccc(Cl)cc21)c1ccccc1	ZINC000539048287	340867496	/nfs/dbraw/zinc/86/74/96/340867496.db2.gz	DETVGWGDGWHPDB-WOJBJXKFSA-N	0	1	324.855	5.352	20	30		DKEDMN
C=CCC[C@H](N[C@@H](C)c1ccco1)c1ccc(C(F)(F)F)cc1	ZINC000539051414	340867913	/nfs/dbraw/zinc/86/79/13/340867913.db2.gz	ICYSQLPPSPIGTQ-BBRMVZONSA-N	0	1	323.358	5.657	20	30		DKEDMN
C=CCC[C@@H](N[C@H](C)c1ccco1)c1ccc(C(F)(F)F)cc1	ZINC000539051416	340867918	/nfs/dbraw/zinc/86/79/18/340867918.db2.gz	ICYSQLPPSPIGTQ-CZUORRHYSA-N	0	1	323.358	5.657	20	30		DKEDMN
C=CCC[C@@H](N[C@@H](C)c1ccco1)c1ccc(C(F)(F)F)cc1	ZINC000539051417	340867866	/nfs/dbraw/zinc/86/78/66/340867866.db2.gz	ICYSQLPPSPIGTQ-XJKSGUPXSA-N	0	1	323.358	5.657	20	30		DKEDMN
C=CCC[C@H](NCc1cc(-c2ccccc2)no1)c1ccccc1	ZINC000539291033	340879584	/nfs/dbraw/zinc/87/95/84/340879584.db2.gz	CALUKXIOUWHKJD-FQEVSTJZSA-N	0	1	318.420	5.139	20	30		DKEDMN
C[C@@H](N[C@H](C)c1cccc(Cl)c1Cl)c1cccc(C#N)c1	ZINC000539495700	331747260	/nfs/dbraw/zinc/74/72/60/331747260.db2.gz	DBZNRJYCTCNXJN-VXGBXAGGSA-N	0	1	319.235	5.277	20	30		DKEDMN
CCC(CC)[C@@H](NCc1ccc(F)cc1C#N)c1cccs1	ZINC000540381760	340928881	/nfs/dbraw/zinc/92/88/81/340928881.db2.gz	XYROUSUZZAEXFD-GOSISDBHSA-N	0	1	316.445	5.026	20	30		DKEDMN
CCC[C@H](N[C@H](C)c1ccc(C#N)cc1)c1ccc(F)cc1F	ZINC000540594503	340937347	/nfs/dbraw/zinc/93/73/47/340937347.db2.gz	KPVJKOLGGFINLI-YJYMSZOUSA-N	0	1	314.379	5.028	20	30		DKEDMN
C[C@H](N[C@@H](C)c1ccc(C#N)cc1)c1cc2cc(Cl)ccc2o1	ZINC000540596825	340937813	/nfs/dbraw/zinc/93/78/13/340937813.db2.gz	JFWHSXLOZHVJSF-STQMWFEESA-N	0	1	324.811	5.370	20	30		DKEDMN
C[C@@H](N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)c1ccco1	ZINC000541176031	340960750	/nfs/dbraw/zinc/96/07/50/340960750.db2.gz	OTBOZNDPBIFHNC-HZPDHXFCSA-N	0	1	316.404	5.230	20	30		DKEDMN
CC(C)(C#N)CCN1CCCC[C@H]1c1cccc(C(F)(F)F)c1	ZINC000545267919	341118296	/nfs/dbraw/zinc/11/82/96/341118296.db2.gz	KHPZCKYWULENQW-INIZCTEOSA-N	0	1	324.390	5.172	20	30		DKEDMN
CC(C)(C#N)CCN1CCCC[C@@H]1c1cccc(C(F)(F)F)c1	ZINC000545267920	341118336	/nfs/dbraw/zinc/11/83/36/341118336.db2.gz	KHPZCKYWULENQW-MRXNPFEDSA-N	0	1	324.390	5.172	20	30		DKEDMN
CC[C@H](NC1(c2cccc(C#N)c2)CC1)c1ccc(Cl)s1	ZINC000551555075	341345249	/nfs/dbraw/zinc/34/52/49/341345249.db2.gz	RKAPLASGPNUDAX-AWEZNQCLSA-N	0	1	316.857	5.003	20	30		DKEDMN
CC[C@@H](NC1(c2cccc(C#N)c2)CC1)c1ccc(Cl)s1	ZINC000551555087	341345166	/nfs/dbraw/zinc/34/51/66/341345166.db2.gz	RKAPLASGPNUDAX-CQSZACIVSA-N	0	1	316.857	5.003	20	30		DKEDMN
C=CCC[C@H](NCc1ccc2[nH]c(C)c(C)c2c1)c1ccco1	ZINC000552047547	341364928	/nfs/dbraw/zinc/36/49/28/341364928.db2.gz	QFZMPOSDFHRJDZ-IBGZPJMESA-N	0	1	308.425	5.175	20	30		DKEDMN
C=CCC[C@@H](NCc1ccc2[nH]c(C)c(C)c2c1)c1ccco1	ZINC000552047548	341364932	/nfs/dbraw/zinc/36/49/32/341364932.db2.gz	QFZMPOSDFHRJDZ-LJQANCHMSA-N	0	1	308.425	5.175	20	30		DKEDMN
C=CCC[C@H](NCc1ccc(-c2ccncc2)cc1)c1ccco1	ZINC000552058368	341365824	/nfs/dbraw/zinc/36/58/24/341365824.db2.gz	DVQIHXBTXQQTLQ-FQEVSTJZSA-N	0	1	318.420	5.139	20	30		DKEDMN
C=CCC[C@@H](NCc1ccc(-c2ccncc2)cc1)c1ccco1	ZINC000552058369	341365688	/nfs/dbraw/zinc/36/56/88/341365688.db2.gz	DVQIHXBTXQQTLQ-HXUWFJFHSA-N	0	1	318.420	5.139	20	30		DKEDMN
C=CCC[C@H](NCc1ccccc1N1CCCCC1)c1ccco1	ZINC000552285048	341384179	/nfs/dbraw/zinc/38/41/79/341384179.db2.gz	AOPQUVGLKXLJFP-IBGZPJMESA-N	0	1	324.468	5.067	20	30		DKEDMN
C=CCC[C@@H](NCc1ccccc1N1CCCCC1)c1ccco1	ZINC000552285049	341384131	/nfs/dbraw/zinc/38/41/31/341384131.db2.gz	AOPQUVGLKXLJFP-LJQANCHMSA-N	0	1	324.468	5.067	20	30		DKEDMN
CCSc1ccccc1[C@H](C)NC1(c2cccc(C#N)c2)CC1	ZINC000556600710	331719286	/nfs/dbraw/zinc/71/92/86/331719286.db2.gz	ISKCBGAZHOQPPG-HNNXBMFYSA-N	0	1	322.477	5.010	20	30		DKEDMN
C[C@H](N[C@@H](CCC#N)c1ccccc1)c1ccc2c(c1)CCCC2	ZINC000557273500	331779930	/nfs/dbraw/zinc/77/99/30/331779930.db2.gz	LLGGZMGNUFBHIT-JTSKRJEESA-N	0	1	318.464	5.261	20	30		DKEDMN
C[C@@H](N[C@H](CCC#N)c1ccccc1)c1ccc2c(c1)CCCC2	ZINC000557273501	331779912	/nfs/dbraw/zinc/77/99/12/331779912.db2.gz	LLGGZMGNUFBHIT-VGOFRKELSA-N	0	1	318.464	5.261	20	30		DKEDMN
C[C@@H](N[C@@H](CCC#N)c1ccccc1)c1ccc2c(c1)CCCC2	ZINC000557273502	331780002	/nfs/dbraw/zinc/78/00/02/331780002.db2.gz	LLGGZMGNUFBHIT-VGSWGCGISA-N	0	1	318.464	5.261	20	30		DKEDMN
C=CCC[C@H](NCc1ccc(C(C)(F)F)cc1)c1ccco1	ZINC000559875988	332288238	/nfs/dbraw/zinc/28/82/38/332288238.db2.gz	CZMVZKUUVJVSDG-INIZCTEOSA-N	0	1	305.368	5.188	20	30		DKEDMN
C=CCC[C@@H](NCc1ccc(C(C)(F)F)cc1)c1ccco1	ZINC000559876002	332288214	/nfs/dbraw/zinc/28/82/14/332288214.db2.gz	CZMVZKUUVJVSDG-MRXNPFEDSA-N	0	1	305.368	5.188	20	30		DKEDMN
C=CCC[C@H](NCc1ccc(-c2cccnc2)cc1)c1ccco1	ZINC000560528764	332351859	/nfs/dbraw/zinc/35/18/59/332351859.db2.gz	QXOYYKYPZCFCQR-FQEVSTJZSA-N	0	1	318.420	5.139	20	30		DKEDMN
C=CCC[C@@H](NCc1ccc(-c2cccnc2)cc1)c1ccco1	ZINC000560528769	332351983	/nfs/dbraw/zinc/35/19/83/332351983.db2.gz	QXOYYKYPZCFCQR-HXUWFJFHSA-N	0	1	318.420	5.139	20	30		DKEDMN
C=CCC[C@H](NCc1oc2ccc(F)cc2c1C)c1ccco1	ZINC000560530678	332352992	/nfs/dbraw/zinc/35/29/92/332352992.db2.gz	REYSKTZJEBBEMD-INIZCTEOSA-N	0	1	313.372	5.270	20	30		DKEDMN
C=CCC[C@@H](NCc1oc2ccc(F)cc2c1C)c1ccco1	ZINC000560530679	332352714	/nfs/dbraw/zinc/35/27/14/332352714.db2.gz	REYSKTZJEBBEMD-MRXNPFEDSA-N	0	1	313.372	5.270	20	30		DKEDMN
C=CCC[C@H](NCc1ccc(OCC)c(Cl)c1)c1ccco1	ZINC000560538493	332354976	/nfs/dbraw/zinc/35/49/76/332354976.db2.gz	SEROYKDWGRHVCV-INIZCTEOSA-N	0	1	319.832	5.129	20	30		DKEDMN
C=CCC[C@@H](NCc1ccc(OCC)c(Cl)c1)c1ccco1	ZINC000560538495	332355008	/nfs/dbraw/zinc/35/50/08/332355008.db2.gz	SEROYKDWGRHVCV-MRXNPFEDSA-N	0	1	319.832	5.129	20	30		DKEDMN
C=CCC[C@@H](NCc1ccccc1OC1CCC1)c1ccco1	ZINC000560546893	332357314	/nfs/dbraw/zinc/35/73/14/332357314.db2.gz	XTDJVNQIHXAOKJ-GOSISDBHSA-N	0	1	311.425	5.008	20	30		DKEDMN
C=CCC[C@H](NCc1ccccc1OC1CCC1)c1ccco1	ZINC000560546894	332357130	/nfs/dbraw/zinc/35/71/30/332357130.db2.gz	XTDJVNQIHXAOKJ-SFHVURJKSA-N	0	1	311.425	5.008	20	30		DKEDMN
C[C@@H](N[C@@H](CCC#N)c1ccccc1)c1ccc(Cl)c(F)c1	ZINC000560907962	332393289	/nfs/dbraw/zinc/39/32/89/332393289.db2.gz	DCKAVGMAQGIMPW-ACJLOTCBSA-N	0	1	316.807	5.175	20	30		DKEDMN
C[C@@H](N[C@H](CCC#N)c1ccccc1)c1ccc(Cl)c(F)c1	ZINC000560907966	332393242	/nfs/dbraw/zinc/39/32/42/332393242.db2.gz	DCKAVGMAQGIMPW-FZKQIMNGSA-N	0	1	316.807	5.175	20	30		DKEDMN
C[C@H](N[C@H](CCC#N)c1ccccc1)c1ccc(Cl)c(F)c1	ZINC000560907967	332393294	/nfs/dbraw/zinc/39/32/94/332393294.db2.gz	DCKAVGMAQGIMPW-SCLBCKFNSA-N	0	1	316.807	5.175	20	30		DKEDMN
C[C@H](N[C@@H](CCC#N)c1ccccc1)c1ccc(Cl)c(F)c1	ZINC000560907968	332393205	/nfs/dbraw/zinc/39/32/05/332393205.db2.gz	DCKAVGMAQGIMPW-UGSOOPFHSA-N	0	1	316.807	5.175	20	30		DKEDMN
Cc1cc([C@@H](NCCCC#N)c2cccc(Cl)c2)c(C)s1	ZINC000571010339	333478799	/nfs/dbraw/zinc/47/87/99/333478799.db2.gz	YNNNOXINVYTWOR-KRWDZBQOSA-N	0	1	318.873	5.001	20	30		DKEDMN
C=CCC[C@H](N[C@@H]1CCc2sc(Cl)cc21)c1ccco1	ZINC000573143532	341718600	/nfs/dbraw/zinc/71/86/00/341718600.db2.gz	PASCDVQSNJPNEG-OLZOCXBDSA-N	0	1	307.846	5.279	20	30		DKEDMN
CC[C@H](NCc1cccc(Cl)c1Cl)c1ccc(C#N)cc1	ZINC000580399925	337395578	/nfs/dbraw/zinc/39/55/78/337395578.db2.gz	ONNARIWIHSXGDB-INIZCTEOSA-N	0	1	319.235	5.106	20	30		DKEDMN
CC[C@@H](NCc1cccc(Cl)c1Cl)c1ccc(C#N)cc1	ZINC000580399926	337395590	/nfs/dbraw/zinc/39/55/90/337395590.db2.gz	ONNARIWIHSXGDB-MRXNPFEDSA-N	0	1	319.235	5.106	20	30		DKEDMN