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)[N@H+](C)CC(=O)N1CCC[C@H]1C[NH3+]	ZINC000160143270	188047779	/nfs/dbraw/zinc/04/77/79/188047779.db2.gz	AWXKBNJUTPEDEM-JTQLQIEISA-N	2	0	213.325	0.276	10	70		BCIERP
C[C@@]1(C(=O)N2CCC[C@H]([NH3+])C2)CCC[NH2+]1	ZINC000160601763	491078684	/nfs/dbraw/zinc/07/86/84/491078684.db2.gz	LYVOMHWTSUSOMY-ONGXEEELSA-N	2	0	211.309	0.078	10	70		BCIERP
C[C@]1(C(=O)N2CCC[C@H]([NH3+])C2)CCC[NH2+]1	ZINC000160601649	488146853	/nfs/dbraw/zinc/14/68/53/488146853.db2.gz	LYVOMHWTSUSOMY-GXSJLCMTSA-N	2	0	211.309	0.078	10	70		BCIERP
CCC[C@@H](C(=O)NC1CC[NH+](C)CC1)[NH+](C)C	ZINC000161290213	387180778	/nfs/dbraw/zinc/18/07/78/387180778.db2.gz	DUMPNHZDVAMPNK-LBPRGKRZSA-N	2	0	241.379	0.927	10	70		BCIERP
C[NH2+][C@H](C)C(=O)NC[C@@H](C)[NH+]1CCCC1	ZINC000161069098	343203862	/nfs/dbraw/zinc/20/38/62/343203862.db2.gz	QQJRGWGLMJIHPD-NXEZZACHSA-N	2	0	213.325	0.195	10	70		BCIERP
C[C@]1(C(=O)N2CCC[C@@H]([NH3+])C2)CCC[NH2+]1	ZINC000160601880	323073481	/nfs/dbraw/zinc/07/34/81/323073481.db2.gz	LYVOMHWTSUSOMY-MWLCHTKSSA-N	2	0	211.309	0.078	10	70		BCIERP
C[C@H]([NH3+])CC(=O)NC[C@H](C)[NH+]1CCCC1	ZINC000161044163	487473557	/nfs/dbraw/zinc/47/35/57/487473557.db2.gz	BBEMHXGUNRXHDE-UWVGGRQHSA-N	2	0	213.325	0.324	10	70		BCIERP
CCC[C@H](O)C[NH2+][C@H]1CCC[NH2+]CC1	ZINC000217735522	134250352	/nfs/dbraw/zinc/25/03/52/134250352.db2.gz	QTTFAAPFGBSMJT-QWRGUYRKSA-N	2	0	200.326	0.879	10	70		BCIERP
[NH3+]C[C@H]1CCCN1C(=O)C[C@@H]1CCC[NH2+]1	ZINC000160354722	361305970	/nfs/dbraw/zinc/30/59/70/361305970.db2.gz	VVLMXXZPCNRBQW-VHSXEESVSA-N	2	0	211.309	0.078	10	70		BCIERP
CCC[C@H](O)C[NH2+][C@@H]1CCC[NH2+]CC1	ZINC000217735357	134250673	/nfs/dbraw/zinc/25/06/73/134250673.db2.gz	QTTFAAPFGBSMJT-MNOVXSKESA-N	2	0	200.326	0.879	10	70		BCIERP
[NH3+]C[C@@H]1CCCN1C(=O)[C@H]1CC[C@H]([NH3+])C1	ZINC000160184245	345487995	/nfs/dbraw/zinc/48/79/95/345487995.db2.gz	CWGKOSIKLJRMIP-GUBZILKMSA-N	2	0	211.309	0.064	10	70		BCIERP
CCC[C@@H](O)C[NH2+][C@@H]1CCC[NH2+]CC1	ZINC000217735307	134250685	/nfs/dbraw/zinc/25/06/85/134250685.db2.gz	QTTFAAPFGBSMJT-GHMZBOCLSA-N	2	0	200.326	0.879	10	70		BCIERP
[NH3+]C[C@@H]1CCCN1C(=O)C[C@H]1CCC[NH2+]1	ZINC000160354861	361305643	/nfs/dbraw/zinc/30/56/43/361305643.db2.gz	VVLMXXZPCNRBQW-ZJUUUORDSA-N	2	0	211.309	0.078	10	70		BCIERP
[NH3+]C[C@@H]1CCCN1C(=O)[C@@H]1CC[C@H]([NH3+])C1	ZINC000160183995	345488038	/nfs/dbraw/zinc/48/80/38/345488038.db2.gz	CWGKOSIKLJRMIP-UTLUCORTSA-N	2	0	211.309	0.064	10	70		BCIERP
C[C@H](CNC(=O)C[C@H](C)[NH3+])[NH+]1CCCC1	ZINC000161043946	487473675	/nfs/dbraw/zinc/47/36/75/487473675.db2.gz	BBEMHXGUNRXHDE-VHSXEESVSA-N	2	0	213.325	0.324	10	70		BCIERP
[NH3+]C[C@@H]1CCCN1C(=O)C[C@@H]1CCC[NH2+]1	ZINC000160354984	361305472	/nfs/dbraw/zinc/30/54/72/361305472.db2.gz	VVLMXXZPCNRBQW-UWVGGRQHSA-N	2	0	211.309	0.078	10	70		BCIERP
CC[NH2+]CC1CCN(C(=O)[C@@H]2CC[NH2+]C2)CC1	ZINC000161139921	323149096	/nfs/dbraw/zinc/14/90/96/323149096.db2.gz	HLYCNRAEMKSHHB-GFCCVEGCSA-N	2	0	239.363	0.444	10	70		BCIERP
CCC[C@@H](O)C[NH2+][C@H]1CCC[NH2+]CC1	ZINC000217735443	134250579	/nfs/dbraw/zinc/25/05/79/134250579.db2.gz	QTTFAAPFGBSMJT-WDEREUQCSA-N	2	0	200.326	0.879	10	70		BCIERP
[NH3+]C[C@H]1CCCN1C(=O)C[C@H]1CCC[NH2+]1	ZINC000160354598	361305454	/nfs/dbraw/zinc/30/54/54/361305454.db2.gz	VVLMXXZPCNRBQW-NXEZZACHSA-N	2	0	211.309	0.078	10	70		BCIERP
C[NH2+][C@H](C)C(=O)NC[C@H](C)[NH+]1CCCC1	ZINC000161068997	343204277	/nfs/dbraw/zinc/20/42/77/343204277.db2.gz	QQJRGWGLMJIHPD-VHSXEESVSA-N	2	0	213.325	0.195	10	70		BCIERP
CC[NH2+]CC1CCN(C(=O)[C@H]2CC[NH2+]C2)CC1	ZINC000161140058	323149084	/nfs/dbraw/zinc/14/90/84/323149084.db2.gz	HLYCNRAEMKSHHB-LBPRGKRZSA-N	2	0	239.363	0.444	10	70		BCIERP