smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[C@H]([NH2+]c1ccc(N)cc1)C(C)C	42586668	572036046	/nfs/dbraw/zinc/03/60/46/572036046.db2.gz	AKBVPWYNHCCHIL-LBPRGKRZSA-N	1	1	192.306	3.115	10	10		AGCEMO
O=C1C=CC(=NNc2cc[nH+]cc2)C=C1	308692401	573713291	/nfs/dbraw/zinc/71/32/91/573713291.db2.gz	BCBHUOGPSRNKLW-YPKPFQOOSA-N	1	1	199.213	3.203	10	10		AGCEMO
CC[C@@H]([NH2+]c1ccc(N)cc1)C(C)C	42586671	572035548	/nfs/dbraw/zinc/03/55/48/572035548.db2.gz	AKBVPWYNHCCHIL-GFCCVEGCSA-N	1	1	192.306	3.115	10	10		AGCEMO
CCCC[C@H](C)[NH2+]c1ccc(N)cc1	50887048	573138338	/nfs/dbraw/zinc/13/83/38/573138338.db2.gz	RYXUVLBMKWSSPA-JTQLQIEISA-N	1	1	192.306	3.259	10	10		AGCEMO
CCCC[C@@H](C)[NH2+]c1ccc(N)cc1	50887047	573142069	/nfs/dbraw/zinc/14/20/69/573142069.db2.gz	RYXUVLBMKWSSPA-SNVBAGLBSA-N	1	1	192.306	3.259	10	10		AGCEMO
CCC[C@@H](C)C[NH2+]c1ccc(N)cc1	841039956	583111889	/nfs/dbraw/zinc/11/18/89/583111889.db2.gz	FLPBDCTWCRMYIT-SNVBAGLBSA-N	1	1	192.306	3.117	10	10		AGCEMO
CCC[C@H](C)C[NH2+]c1ccc(N)cc1	841039952	583112776	/nfs/dbraw/zinc/11/27/76/583112776.db2.gz	FLPBDCTWCRMYIT-JTQLQIEISA-N	1	1	192.306	3.117	10	10		AGCEMO
CC[C@@H](C)[C@H](C)[NH2+]c1ccc(N)cc1	58744608	343341221	/nfs/dbraw/zinc/34/12/21/343341221.db2.gz	REJQADNLGPDHRE-ZJUUUORDSA-N	1	1	192.306	3.115	10	10		AGCEMO
CC(C)C[C@H](C)[NH2+]c1ccc(N)cc1	37264583	166493626	/nfs/dbraw/zinc/49/36/26/166493626.db2.gz	KKPWQIDJDXUWPG-JTQLQIEISA-N	1	1	192.306	3.115	10	10		AGCEMO
CCC[C@@H](CC)[NH2+]c1ccc(N)cc1	50399480	167042195	/nfs/dbraw/zinc/04/21/95/167042195.db2.gz	ZEHWITNWFHVAEH-LLVKDONJSA-N	1	1	192.306	3.259	10	10		AGCEMO
CCC[C@H](CC)[NH2+]c1ccc(N)cc1	50399482	167076284	/nfs/dbraw/zinc/07/62/84/167076284.db2.gz	ZEHWITNWFHVAEH-NSHDSACASA-N	1	1	192.306	3.259	10	10		AGCEMO
CC(C)C[C@@H](C)[NH2+]c1ccc(N)cc1	37264582	351465717	/nfs/dbraw/zinc/46/57/17/351465717.db2.gz	KKPWQIDJDXUWPG-SNVBAGLBSA-N	1	1	192.306	3.115	10	10		AGCEMO
CC[C@H](C)[C@H](C)[NH2+]c1ccc(N)cc1	58744609	343341082	/nfs/dbraw/zinc/34/10/82/343341082.db2.gz	REJQADNLGPDHRE-UWVGGRQHSA-N	1	1	192.306	3.115	10	10		AGCEMO
CC[C@@H](C)[C@@H](C)[NH2+]c1ccc(N)cc1	58744606	343341101	/nfs/dbraw/zinc/34/11/01/343341101.db2.gz	REJQADNLGPDHRE-NXEZZACHSA-N	1	1	192.306	3.115	10	10		AGCEMO
CC[C@H](C)[C@@H](C)[NH2+]c1ccc(N)cc1	58744607	343341122	/nfs/dbraw/zinc/34/11/22/343341122.db2.gz	REJQADNLGPDHRE-VHSXEESVSA-N	1	1	192.306	3.115	10	10		AGCEMO