smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[NH+](CCCCCCNC1=CC(=O)C(NCCCCCC[N@H+](CC)Cc2ccccc2OC)=CC1=O)Cc1ccccc1OC	ZINC000101086292	562809075	/nfs/dbraw/zinc/80/90/75/562809075.db2.gz	VPXVPJQOPRBXPO-UHFFFAOYSA-N	2	1	632.890	6.267	10	30	in-vivo	KKEEMP
C#CCN1CCC2=C(C1)c1c(OC(=O)[C@H](C)CC[N@H+]3CCCC[C@@H]3C)cc([C@@H](C)[C@@H](C)CCCCC)cc1OC2(C)C	ZINC000169292355	562852013	/nfs/dbraw/zinc/85/20/13/562852013.db2.gz	ZWLPJYVIMWAEDC-CRNKYVSFSA-N	2	1	576.866	8.076	10	30	in-man	KKEEMP
C#CC[NH+]1CCC2=C(C1)c1c(OC(=O)[C@H](C)CC[N@@H+]3CCCC[C@@H]3C)cc([C@@H](C)[C@@H](C)CCCCC)cc1OC2(C)C	ZINC000169292355	562852014	/nfs/dbraw/zinc/85/20/14/562852014.db2.gz	ZWLPJYVIMWAEDC-CRNKYVSFSA-N	2	1	576.866	8.076	10	30	in-man	KKEEMP
C#CC[NH+]1CCC2=C(C1)c1c(OC(=O)[C@H](C)CC[N@H+]3CCCC[C@@H]3C)cc([C@@H](C)[C@@H](C)CCCCC)cc1OC2(C)C	ZINC000169292355	562852015	/nfs/dbraw/zinc/85/20/15/562852015.db2.gz	ZWLPJYVIMWAEDC-CRNKYVSFSA-N	2	1	576.866	8.076	10	30	in-man	KKEEMP
C#CC[N@@H+]1CCC2=C(C1)c1c(OC(=O)[C@H](C)CC[NH+]3CCCC[C@@H]3C)cc([C@@H](C)[C@@H](C)CCCCC)cc1OC2(C)C	ZINC000169292355	562852016	/nfs/dbraw/zinc/85/20/16/562852016.db2.gz	ZWLPJYVIMWAEDC-CRNKYVSFSA-N	2	1	576.866	8.076	10	30	in-man	KKEEMP
C#CC[N@H+]1CCC2=C(C1)c1c(OC(=O)[C@H](C)CC[NH+]3CCCC[C@@H]3C)cc([C@@H](C)[C@@H](C)CCCCC)cc1OC2(C)C	ZINC000169292355	562852017	/nfs/dbraw/zinc/85/20/17/562852017.db2.gz	ZWLPJYVIMWAEDC-CRNKYVSFSA-N	2	1	576.866	8.076	10	30	in-man	KKEEMP
C#CC[N@@H+]1CCC2=C(C1)c1c(OC(=O)CCC[NH+]3CCCCC3)cc([C@H](C)[C@H](C)CCCCC)cc1OC2(C)C	ZINC000004213921	561694192	/nfs/dbraw/zinc/69/41/92/561694192.db2.gz	MCVPMHDADNVRKF-KAYWLYCHSA-N	2	1	548.812	7.442	10	30	in-man	KKEEMP
C#CC[N@H+]1CCC2=C(C1)c1c(OC(=O)CCC[NH+]3CCCCC3)cc([C@H](C)[C@H](C)CCCCC)cc1OC2(C)C	ZINC000004213921	561694194	/nfs/dbraw/zinc/69/41/94/561694194.db2.gz	MCVPMHDADNVRKF-KAYWLYCHSA-N	2	1	548.812	7.442	10	30	in-man	KKEEMP
C#CC[N@@H+]1CCC2=C(C1)c1c(OC(=O)CCC[NH+]3CCCCC3)cc([C@H](C)[C@@H](C)CCCCC)cc1OC2(C)C	ZINC000011681450	561709706	/nfs/dbraw/zinc/70/97/06/561709706.db2.gz	MCVPMHDADNVRKF-RRPNLBNLSA-N	2	1	548.812	7.442	10	30	in-man	KKEEMP
C#CC[N@H+]1CCC2=C(C1)c1c(OC(=O)CCC[NH+]3CCCCC3)cc([C@H](C)[C@@H](C)CCCCC)cc1OC2(C)C	ZINC000011681450	561709707	/nfs/dbraw/zinc/70/97/07/561709707.db2.gz	MCVPMHDADNVRKF-RRPNLBNLSA-N	2	1	548.812	7.442	10	30	in-man	KKEEMP
N=C(ONC(=[NH2+])c1ccccc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=N)ONC(=[NH2+])c1ccccc1	ZINC000150342982	571458798	/nfs/dbraw/zinc/45/87/98/571458798.db2.gz	KAMOLXPPZKNEIN-UHFFFAOYSA-N	2	1	624.386	5.427	10	30		KKEEMP
C#CC[N@@H+]1CCC2=C(C1)c1c(OC(=O)CCC[NH+]3CCCCC3)cc([C@@H](C)[C@H](C)CCCCC)cc1OC2(C)C	ZINC000011681457	561709725	/nfs/dbraw/zinc/70/97/25/561709725.db2.gz	MCVPMHDADNVRKF-SXOMAYOGSA-N	2	1	548.812	7.442	10	30	in-man	KKEEMP
C#CC[N@H+]1CCC2=C(C1)c1c(OC(=O)CCC[NH+]3CCCCC3)cc([C@@H](C)[C@H](C)CCCCC)cc1OC2(C)C	ZINC000011681457	561709727	/nfs/dbraw/zinc/70/97/27/561709727.db2.gz	MCVPMHDADNVRKF-SXOMAYOGSA-N	2	1	548.812	7.442	10	30	in-man	KKEEMP
C#CC[N@@H+]1CCC2=C(C1)c1c(OC(=O)CCC[NH+]3CCCCC3)cc([C@@H](C)[C@@H](C)CCCCC)cc1OC2(C)C	ZINC000011681465	561709759	/nfs/dbraw/zinc/70/97/59/561709759.db2.gz	MCVPMHDADNVRKF-SVBPBHIXSA-N	2	1	548.812	7.442	10	30	in-man	KKEEMP
C#CC[N@H+]1CCC2=C(C1)c1c(OC(=O)CCC[NH+]3CCCCC3)cc([C@@H](C)[C@@H](C)CCCCC)cc1OC2(C)C	ZINC000011681465	561709761	/nfs/dbraw/zinc/70/97/61/561709761.db2.gz	MCVPMHDADNVRKF-SVBPBHIXSA-N	2	1	548.812	7.442	10	30	in-man	KKEEMP