smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
c1cc(C2CC[NH+](CCC3CCCC3)CC2)[nH]n1	ZINC000160070309	183335821	/nfs/dbraw/zinc/33/58/21/183335821.db2.gz	NRXLONGVGMQDJE-UHFFFAOYSA-N	1	1	247.386	3.169	10	70		BGIEMO
Cn1cc([C@@H]2CCC[N@H+]2CCC2CCCC2)cn1	ZINC000160521883	349067058	/nfs/dbraw/zinc/06/70/58/349067058.db2.gz	KTOOKBUDXMOUFH-HNNXBMFYSA-N	1	1	247.386	3.137	10	70		BGIEMO
Cn1cc([C@H]2CCC[N@H+]2CCC2CCCC2)cn1	ZINC000160521964	349067904	/nfs/dbraw/zinc/06/79/04/349067904.db2.gz	KTOOKBUDXMOUFH-OAHLLOKOSA-N	1	1	247.386	3.137	10	70		BGIEMO
C[C@@H]1C[N@@H+](CCC2CCCC2)CCS1	ZINC000160583195	349259585	/nfs/dbraw/zinc/25/95/85/349259585.db2.gz	IRHHWGSFAGXIED-LLVKDONJSA-N	1	1	213.390	3.004	10	70		BGIEMO
C[C@H]1C[N@@H+](CCC2CCCC2)CCS1	ZINC000160583303	349259804	/nfs/dbraw/zinc/25/98/04/349259804.db2.gz	IRHHWGSFAGXIED-NSHDSACASA-N	1	1	213.390	3.004	10	70		BGIEMO
CC[C@](C)(O)C[N@H+]1C[C@H](c2ccccc2)C[C@@H]1C	ZINC000161129263	398344251	/nfs/dbraw/zinc/34/42/51/398344251.db2.gz	QBDGIMZESUCLRH-IMJJTQAJSA-N	1	1	247.382	3.025	10	70		BGIEMO
CC[C@](C)(O)C[N@H+]1CC[C@H](c2ccccc2)[C@@H]1C	ZINC000161487073	385094630	/nfs/dbraw/zinc/09/46/30/385094630.db2.gz	GWMAGGIBMMUZFW-BPUTZDHNSA-N	1	1	247.382	3.025	10	70		BGIEMO