smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[N+](C)(C1CCCCC1)C1CCCCC1	ZINC000001855554	717090950	/nfs/dbraw/zinc/09/09/50/717090950.db2.gz	DNXZAXUVQGYNBE-UHFFFAOYSA-N	1	0	224.412	4.118	10	5		BIBERO
CCCC[N+](CC)(CCCC)CCCC	ZINC000002000729	169015992	/nfs/dbraw/zinc/01/59/92/169015992.db2.gz	GFVKHYGXCQWRON-UHFFFAOYSA-N	1	0	214.417	4.223	10	5		BIBERO
CC(C)C[C@H]1CCC[C@@H](CC(C)C)[N+]1(C)C	ZINC000004320773	717097915	/nfs/dbraw/zinc/09/79/15/717097915.db2.gz	VLROLXIBDWOYFH-GASCZTMLSA-N	1	0	226.428	4.076	10	5		BIBERO
CC(C)C[C@@H]1CCC[C@@H](CC(C)C)[N+]1(C)C	ZINC000004320774	717097888	/nfs/dbraw/zinc/09/78/88/717097888.db2.gz	VLROLXIBDWOYFH-GJZGRUSLSA-N	1	0	226.428	4.076	10	5		BIBERO
CCC[N+](CCC)(CCC)c1ccccc1	ZINC000021982954	717113156	/nfs/dbraw/zinc/11/31/56/717113156.db2.gz	JBCNRNJVFFSPAT-UHFFFAOYSA-N	1	0	220.380	4.224	10	5		BIBERO
CCCC[C@@H](CC)C[N+](C)(C)CCCC	ZINC000033606004	398012769	/nfs/dbraw/zinc/01/27/69/398012769.db2.gz	NWIHOJZOEJDBDM-CQSZACIVSA-N	1	0	214.417	4.079	10	5		BIBERO
CCCC[C@H](CC)C[N+](C)(C)CCCC	ZINC000033606006	169000004	/nfs/dbraw/zinc/00/00/04/169000004.db2.gz	NWIHOJZOEJDBDM-AWEZNQCLSA-N	1	0	214.417	4.079	10	5		BIBERO
CCCC[C@@H](CC)C[N+](C)(C)Cc1ccccc1	ZINC000033610906	717121672	/nfs/dbraw/zinc/12/16/72/717121672.db2.gz	JCOUUFIKUNOYFC-MRXNPFEDSA-N	1	0	248.434	4.479	10	5		BIBERO
CCCC[C@H](CC)C[N+](C)(C)Cc1ccccc1	ZINC000033610907	717121429	/nfs/dbraw/zinc/12/14/29/717121429.db2.gz	JCOUUFIKUNOYFC-INIZCTEOSA-N	1	0	248.434	4.479	10	5		BIBERO
CCC[N+]1(C)c2ccccc2C(C)=CC1(C)C	ZINC000059369442	717131647	/nfs/dbraw/zinc/13/16/47/717131647.db2.gz	XBFFWUUNAMQCFI-UHFFFAOYSA-N	1	0	230.375	4.229	10	5		BIBERO
CCCCC[N+](CCC)(CCC)CCC	ZINC000060239218	717131865	/nfs/dbraw/zinc/13/18/65/717131865.db2.gz	NMGQYKVFWNZFGI-UHFFFAOYSA-N	1	0	214.417	4.223	10	5		BIBERO
Cc1cc(C)c(C[N+](C)(C)C2CCCC2)c(C)c1	ZINC000065012672	717132426	/nfs/dbraw/zinc/13/24/26/717132426.db2.gz	GKZSCMSOSVDVFW-UHFFFAOYSA-N	1	0	246.418	4.131	10	5		BIBERO
C[N+]1(C2CCCCCCCCC2)CCCC1	ZINC000139467952	717151719	/nfs/dbraw/zinc/15/17/19/717151719.db2.gz	PMRXESWYLLBRHE-UHFFFAOYSA-N	1	0	224.412	4.120	10	5		BIBERO
CCCCC[N+](CC)(CC)CCCCC	ZINC000140951200	717152079	/nfs/dbraw/zinc/15/20/79/717152079.db2.gz	UPPMBOMUXOHLSA-UHFFFAOYSA-N	1	0	214.417	4.223	10	5		BIBERO
CCCc1ccc(C[N+](C)(C)C2CCCC2)cc1	ZINC000194441094	717157757	/nfs/dbraw/zinc/15/77/57/717157757.db2.gz	GUFGJTHWIBYBFS-UHFFFAOYSA-N	1	0	246.418	4.158	10	5		BIBERO
CC[N+](CC)(CC)[C@]1(C)CC=Cc2ccccc21	ZINC000205106561	717159482	/nfs/dbraw/zinc/15/94/82/717159482.db2.gz	HMLQIULUATUALB-QGZVFWFLSA-N	1	0	244.402	4.195	10	5		BIBERO
CC[N+](CC)(CC)[C@@]1(C)CC=Cc2ccccc21	ZINC000205106579	717159305	/nfs/dbraw/zinc/15/93/05/717159305.db2.gz	HMLQIULUATUALB-KRWDZBQOSA-N	1	0	244.402	4.195	10	5		BIBERO
CCCCC[N@@+](CC)(CCC)CCCC	ZINC000256113725	717176526	/nfs/dbraw/zinc/17/65/26/717176526.db2.gz	ZJUCMNFJQYFRAV-HNNXBMFYSA-N	1	0	214.417	4.223	10	5		BIBERO
CCCCC[N@+](CC)(CCC)CCCC	ZINC000256113726	717176490	/nfs/dbraw/zinc/17/64/90/717176490.db2.gz	ZJUCMNFJQYFRAV-OAHLLOKOSA-N	1	0	214.417	4.223	10	5		BIBERO