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@H+]1CCO[C@H](C(=O)NCCC[NH3+])C1	ZINC000160108718	170005050	/nfs/dbraw/zinc/00/50/50/170005050.db2.gz	CUBBCGUAQVMXMY-VIFPVBQESA-N	2	1	215.297	-0.828	20	70		BBIDMP
CC[N@@H+]1CCO[C@H](C(=O)NCCC[NH3+])C1	ZINC000160108718	170005049	/nfs/dbraw/zinc/00/50/49/170005049.db2.gz	CUBBCGUAQVMXMY-VIFPVBQESA-N	2	1	215.297	-0.828	20	70		BBIDMP
CC[N@H+]1CCO[C@@H](C(=O)NCCC[NH3+])C1	ZINC000160108858	170002765	/nfs/dbraw/zinc/00/27/65/170002765.db2.gz	CUBBCGUAQVMXMY-SECBINFHSA-N	2	1	215.297	-0.828	20	70		BBIDMP
CC[N@@H+]1CCO[C@@H](C(=O)NCCC[NH3+])C1	ZINC000160108858	170002764	/nfs/dbraw/zinc/00/27/64/170002764.db2.gz	CUBBCGUAQVMXMY-SECBINFHSA-N	2	1	215.297	-0.828	20	70		BBIDMP
[NH3+]CCC[N@H+]1CC[C@@H]2NC(=O)CC[C@H]2C1	ZINC000160140686	488109789	/nfs/dbraw/zinc/10/97/89/488109789.db2.gz	XJEGFCUCXPFLAY-UWVGGRQHSA-N	2	1	211.309	-0.064	20	70		BBIDMP
[NH3+]CCC[N@H+]1CC[C@H]2NC(=O)CC[C@H]2C1	ZINC000160140799	488110299	/nfs/dbraw/zinc/11/02/99/488110299.db2.gz	XJEGFCUCXPFLAY-VHSXEESVSA-N	2	1	211.309	-0.064	20	70		BBIDMP
[NH3+]CCC[N@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1	ZINC000160140948	488110103	/nfs/dbraw/zinc/11/01/03/488110103.db2.gz	XJEGFCUCXPFLAY-ZJUUUORDSA-N	2	1	211.309	-0.064	20	70		BBIDMP
[NH3+]CCC[N@H+]1CC[C@H]2NC(=O)CC[C@@H]2C1	ZINC000160141094	488109863	/nfs/dbraw/zinc/10/98/63/488109863.db2.gz	XJEGFCUCXPFLAY-NXEZZACHSA-N	2	1	211.309	-0.064	20	70		BBIDMP
O=C([C@@H]1COCC[NH2+]1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2	ZINC000160743517	349316469	/nfs/dbraw/zinc/31/64/69/349316469.db2.gz	NSKTZHFWHXMPFX-AXFHLTTASA-N	2	1	239.319	-0.672	20	70		BBIDMP
COCC[N@@H+](CCO)CCn1ccnc1	ZINC000160808707	174292705	/nfs/dbraw/zinc/29/27/05/174292705.db2.gz	KYSUFBCWTSJJIB-UHFFFAOYSA-N	2	1	213.281	-0.176	20	70		BBIDMP
C[NH2+]CC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12	ZINC000217809464	134250334	/nfs/dbraw/zinc/25/03/34/134250334.db2.gz	XJPRSTSLSDBNDD-ZJUUUORDSA-N	2	1	211.309	-0.051	20	70		BBIDMP
C[NH2+]CC(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12	ZINC000217809540	134250574	/nfs/dbraw/zinc/25/05/74/134250574.db2.gz	XJPRSTSLSDBNDD-UWVGGRQHSA-N	2	1	211.309	-0.051	20	70		BBIDMP
C[N@@H+](C[C@@H](O)C[NH3+])C[C@@H]1CCCCO1	ZINC000218404465	372107826	/nfs/dbraw/zinc/10/78/26/372107826.db2.gz	BWIDRLLHYIVGJH-UWVGGRQHSA-N	2	1	202.298	-0.193	20	70		BBIDMP
C[N@H+](C[C@@H](O)C[NH3+])C[C@@H]1CCCCO1	ZINC000218404465	372107822	/nfs/dbraw/zinc/10/78/22/372107822.db2.gz	BWIDRLLHYIVGJH-UWVGGRQHSA-N	2	1	202.298	-0.193	20	70		BBIDMP