smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(CC[NH+]2CCC(C[N@@H+](C)Cc3ccc(C#CC(C)(C)O)s3)CC2)cc1	ZINC000011879760	568820859	/nfs/dbraw/zinc/82/08/59/568820859.db2.gz	ALOMNIUGANVNLJ-UHFFFAOYSA-N	2	1	440.653	4.266	50	30		IIEAMP
COc1ccc(CC[NH+]2CCC(C[N@@H+](C)Cc3ccc(C#CC(C)(C)O)cc3)CC2)cc1	ZINC000012592800	523949616	/nfs/dbraw/zinc/94/96/16/523949616.db2.gz	VMRDCRQYCVKZRK-UHFFFAOYSA-N	2	1	434.624	4.204	50	30		IIEAMP
C[N@H+](Cc1ccc(C#CC(C)(C)O)s1)CC1CC[NH+](CCc2ccc(F)cc2)CC1	ZINC000012191817	523204149	/nfs/dbraw/zinc/20/41/49/523204149.db2.gz	OIJWZUNWPGZJCS-UHFFFAOYSA-N	2	1	428.617	4.396	50	30		IIEAMP
CC[N@H+](Cc1ccc(C#CCCO)cc1)C[C@@H]1CCC[NH+](CCc2cccc(OC)c2)C1	ZINC000011874943	562979785	/nfs/dbraw/zinc/97/97/85/562979785.db2.gz	DPCGIWVVWZXGQM-MHZLTWQESA-N	2	1	434.624	4.206	50	30		IIEAMP
CC[NH+](Cc1ccc(C#CCCO)cc1)C[C@@H]1CCC[N@H+](CCc2cccc(OC)c2)C1	ZINC000011874943	562979786	/nfs/dbraw/zinc/97/97/86/562979786.db2.gz	DPCGIWVVWZXGQM-MHZLTWQESA-N	2	1	434.624	4.206	50	30		IIEAMP
CC[NH+](Cc1ccc(C#CCCO)cc1)C[C@@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1	ZINC000011874943	562979787	/nfs/dbraw/zinc/97/97/87/562979787.db2.gz	DPCGIWVVWZXGQM-MHZLTWQESA-N	2	1	434.624	4.206	50	30		IIEAMP
CC[NH+]1CCC([NH+]2CCC(C(=O)NCCc3ccc(OC(F)(F)F)cc3)CC2)CC1	ZINC000328592703	569317308	/nfs/dbraw/zinc/31/73/08/569317308.db2.gz	BMMWQILVDSZYKH-UHFFFAOYSA-N	2	1	427.511	4.281	50	30		IIEAMP
C[N@H+](Cc1ccc(C#CCCO)cc1)C[C@@H]1CCC[NH+](CCc2ccc(Cl)cc2)C1	ZINC000011661577	562978902	/nfs/dbraw/zinc/97/89/02/562978902.db2.gz	TYIZHSVSKZWFMB-VWLOTQADSA-N	2	1	425.016	4.460	50	30		IIEAMP
C[NH+](Cc1ccc(C#CCCO)cc1)C[C@@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1	ZINC000011661577	562978903	/nfs/dbraw/zinc/97/89/03/562978903.db2.gz	TYIZHSVSKZWFMB-VWLOTQADSA-N	2	1	425.016	4.460	50	30		IIEAMP
C[NH+](Cc1ccc(C#CCCO)cc1)C[C@@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1	ZINC000011661577	562978904	/nfs/dbraw/zinc/97/89/04/562978904.db2.gz	TYIZHSVSKZWFMB-VWLOTQADSA-N	2	1	425.016	4.460	50	30		IIEAMP
C[N@H+](Cc1ccc(C#CCCO)cc1)C[C@H]1CCC[NH+](CCc2ccc(Cl)cc2)C1	ZINC000011661578	562978833	/nfs/dbraw/zinc/97/88/33/562978833.db2.gz	TYIZHSVSKZWFMB-RUZDIDTESA-N	2	1	425.016	4.460	50	30		IIEAMP
C[NH+](Cc1ccc(C#CCCO)cc1)C[C@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1	ZINC000011661578	562978835	/nfs/dbraw/zinc/97/88/35/562978835.db2.gz	TYIZHSVSKZWFMB-RUZDIDTESA-N	2	1	425.016	4.460	50	30		IIEAMP
C[NH+](Cc1ccc(C#CCCO)cc1)C[C@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1	ZINC000011661578	562978837	/nfs/dbraw/zinc/97/88/37/562978837.db2.gz	TYIZHSVSKZWFMB-RUZDIDTESA-N	2	1	425.016	4.460	50	30		IIEAMP
COc1ccc(CC[N@H+]2CCC[C@H](C[NH+](C)Cc3ccc(C#CC(C)(C)O)cc3)C2)cc1	ZINC000012716357	523949648	/nfs/dbraw/zinc/94/96/48/523949648.db2.gz	BWEDGRFCPOVZME-AREMUKBSSA-N	2	1	434.624	4.204	50	30		IIEAMP
COc1ccc(CC[NH+]2CCC[C@H](C[N@H+](C)Cc3ccc(C#CC(C)(C)O)cc3)C2)cc1	ZINC000012716357	523949654	/nfs/dbraw/zinc/94/96/54/523949654.db2.gz	BWEDGRFCPOVZME-AREMUKBSSA-N	2	1	434.624	4.204	50	30		IIEAMP
COc1ccc(CC[NH+]2CCC[C@H](C[N@@H+](C)Cc3ccc(C#CC(C)(C)O)cc3)C2)cc1	ZINC000012716357	523949660	/nfs/dbraw/zinc/94/96/60/523949660.db2.gz	BWEDGRFCPOVZME-AREMUKBSSA-N	2	1	434.624	4.204	50	30		IIEAMP
COc1ccc(CC[N@@H+]2CCC[C@@H](C[NH+](C)Cc3ccc(C#CC(C)(C)O)s3)C2)cc1	ZINC000011753630	568820584	/nfs/dbraw/zinc/82/05/84/568820584.db2.gz	YKQDVSLPDHMZTB-QFIPXVFZSA-N	2	1	440.653	4.266	50	30		IIEAMP
COc1ccc(CC[N@H+]2CCC[C@@H](C[NH+](C)Cc3ccc(C#CC(C)(C)O)s3)C2)cc1	ZINC000011753630	568820587	/nfs/dbraw/zinc/82/05/87/568820587.db2.gz	YKQDVSLPDHMZTB-QFIPXVFZSA-N	2	1	440.653	4.266	50	30		IIEAMP
COc1ccc(CC[NH+]2CCC[C@@H](C[N@H+](C)Cc3ccc(C#CC(C)(C)O)s3)C2)cc1	ZINC000011753630	568820588	/nfs/dbraw/zinc/82/05/88/568820588.db2.gz	YKQDVSLPDHMZTB-QFIPXVFZSA-N	2	1	440.653	4.266	50	30		IIEAMP
COc1ccc(CC[NH+]2CCC[C@@H](C[N@@H+](C)Cc3ccc(C#CC(C)(C)O)s3)C2)cc1	ZINC000011753630	568820591	/nfs/dbraw/zinc/82/05/91/568820591.db2.gz	YKQDVSLPDHMZTB-QFIPXVFZSA-N	2	1	440.653	4.266	50	30		IIEAMP
COc1ccc(CC[N@@H+]2CCC[C@H](C[NH+](C)Cc3ccc(C#CC(C)(C)O)s3)C2)cc1	ZINC000011753631	568820618	/nfs/dbraw/zinc/82/06/18/568820618.db2.gz	YKQDVSLPDHMZTB-JOCHJYFZSA-N	2	1	440.653	4.266	50	30		IIEAMP
COc1ccc(CC[N@H+]2CCC[C@H](C[NH+](C)Cc3ccc(C#CC(C)(C)O)s3)C2)cc1	ZINC000011753631	568820619	/nfs/dbraw/zinc/82/06/19/568820619.db2.gz	YKQDVSLPDHMZTB-JOCHJYFZSA-N	2	1	440.653	4.266	50	30		IIEAMP
COc1ccc(CC[NH+]2CCC[C@H](C[N@H+](C)Cc3ccc(C#CC(C)(C)O)s3)C2)cc1	ZINC000011753631	568820621	/nfs/dbraw/zinc/82/06/21/568820621.db2.gz	YKQDVSLPDHMZTB-JOCHJYFZSA-N	2	1	440.653	4.266	50	30		IIEAMP
COc1ccc(CC[NH+]2CCC[C@H](C[N@@H+](C)Cc3ccc(C#CC(C)(C)O)s3)C2)cc1	ZINC000011753631	568820623	/nfs/dbraw/zinc/82/06/23/568820623.db2.gz	YKQDVSLPDHMZTB-JOCHJYFZSA-N	2	1	440.653	4.266	50	30		IIEAMP
CC(C)(O)C#Cc1ccc(C[N@@H+](C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)cc1	ZINC000015062438	568635176	/nfs/dbraw/zinc/63/51/76/568635176.db2.gz	IIUMTLISUBHWID-MHZLTWQESA-N	2	1	438.656	4.445	50	30		IIEAMP
CC(C)(O)C#Cc1ccc(C[N@@H+](C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)cc1	ZINC000015062439	568635322	/nfs/dbraw/zinc/63/53/22/568635322.db2.gz	IIUMTLISUBHWID-HHHXNRCGSA-N	2	1	438.656	4.445	50	30		IIEAMP
OCCC#Cc1ccc(C[N@H+](Cc2cccnc2)CC2CC[NH+](C3CCCC3)CC2)cc1	ZINC000012319784	527529819	/nfs/dbraw/zinc/52/98/19/527529819.db2.gz	ROSRVGWMHWPHAK-UHFFFAOYSA-N	2	1	431.624	4.472	50	30		IIEAMP
COc1ccc(CC[N@H+]2CCC[C@@H](C[NH+](C)Cc3ccc(C#CC(C)(C)O)cc3)C2)cc1	ZINC000012716353	523948370	/nfs/dbraw/zinc/94/83/70/523948370.db2.gz	BWEDGRFCPOVZME-SANMLTNESA-N	2	1	434.624	4.204	50	30		IIEAMP
COc1ccc(CC[NH+]2CCC[C@@H](C[N@H+](C)Cc3ccc(C#CC(C)(C)O)cc3)C2)cc1	ZINC000012716353	523948371	/nfs/dbraw/zinc/94/83/71/523948371.db2.gz	BWEDGRFCPOVZME-SANMLTNESA-N	2	1	434.624	4.204	50	30		IIEAMP
COc1ccc(CC[NH+]2CCC[C@@H](C[N@@H+](C)Cc3ccc(C#CC(C)(C)O)cc3)C2)cc1	ZINC000012716353	523948372	/nfs/dbraw/zinc/94/83/72/523948372.db2.gz	BWEDGRFCPOVZME-SANMLTNESA-N	2	1	434.624	4.204	50	30		IIEAMP
CC[N@H+](Cc1ccc(C#CCCO)cc1)C[C@H]1CCC[NH+](CCc2cccc(OC)c2)C1	ZINC000011874944	562979801	/nfs/dbraw/zinc/97/98/01/562979801.db2.gz	DPCGIWVVWZXGQM-HHHXNRCGSA-N	2	1	434.624	4.206	50	30		IIEAMP
CC[NH+](Cc1ccc(C#CCCO)cc1)C[C@H]1CCC[N@H+](CCc2cccc(OC)c2)C1	ZINC000011874944	562979802	/nfs/dbraw/zinc/97/98/02/562979802.db2.gz	DPCGIWVVWZXGQM-HHHXNRCGSA-N	2	1	434.624	4.206	50	30		IIEAMP
CC[NH+](Cc1ccc(C#CCCO)cc1)C[C@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1	ZINC000011874944	562979803	/nfs/dbraw/zinc/97/98/03/562979803.db2.gz	DPCGIWVVWZXGQM-HHHXNRCGSA-N	2	1	434.624	4.206	50	30		IIEAMP
C=CCOc1ccccc1C[N@H+](Cc1ccncc1)CC1CC[NH+](C2CCN(C)CC2)CC1	ZINC000020109618	568855681	/nfs/dbraw/zinc/85/56/81/568855681.db2.gz	YAPWFXHALJGUEU-UHFFFAOYSA-N	2	1	448.655	4.455	50	30		IIEAMP