smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccc(OC)cc3)CC2)N[C@@H]1c1ccc(Cl)cc1	ZINC000020637126	195191972	/nfs/dbraw/zinc/19/19/72/195191972.db2.gz	CYEQNKUEAZIPGP-LEWJYISDSA-N	0	3	470.957	2.877	40	10		JFCBHN
CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccc(OC)cc3)CC2)N[C@H]1c1ccc(C)cc1	ZINC000020674522	195199402	/nfs/dbraw/zinc/19/94/02/195199402.db2.gz	BPZVDORBIOAIDR-VXKWHMMOSA-N	0	3	450.539	2.532	40	10		JFCBHN
[O-]c1ccccc1C[NH2+]C[C@H]1O[C@H](Cc2cc(CN3CCN(c4ccccc4)CC3)on2)CC[C@@H]1O	ZINC000096296064	130051666	/nfs/dbraw/zinc/05/16/66/130051666.db2.gz	HCHAJYMUNYQIKI-SAAIGDAKSA-N	0	3	492.620	2.943	40	10	biogenic,in-vitro	JFCBHN
CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccc(OC)cc3)CC2)N[C@@H]1c1cccc(Cl)c1	ZINC000020801709	195227193	/nfs/dbraw/zinc/22/71/93/195227193.db2.gz	ZFQNTIITBOPIRF-NHCUHLMSSA-N	0	3	470.957	2.877	40	10		JFCBHN
O=C([O-])C[C@@H]1CC[N@H+](Cc2ccccc2[O-])C[C@@H]1CC[NH+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1	ZINC000012480962	527630402	/nfs/dbraw/zinc/63/04/02/527630402.db2.gz	FDOJDEODULYEDE-VVSUKSJXSA-N	0	3	465.594	2.976	40	10	biogenic,in-vitro	JFCBHN
O=C([O-])C[C@@H]1CC[N@@H+](Cc2ccccc2[O-])C[C@@H]1CC[NH+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1	ZINC000012480962	527630410	/nfs/dbraw/zinc/63/04/10/527630410.db2.gz	FDOJDEODULYEDE-VVSUKSJXSA-N	0	3	465.594	2.976	40	10	biogenic,in-vitro	JFCBHN
O=C([O-])C[C@@H]1CC[NH+](Cc2ccccc2[O-])C[C@@H]1CC[N@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1	ZINC000012480962	527630417	/nfs/dbraw/zinc/63/04/17/527630417.db2.gz	FDOJDEODULYEDE-VVSUKSJXSA-N	0	3	465.594	2.976	40	10	biogenic,in-vitro	JFCBHN
O=C([O-])C[C@@H]1CC[NH+](Cc2ccccc2[O-])C[C@@H]1CC[N@@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1	ZINC000012480962	527630421	/nfs/dbraw/zinc/63/04/21/527630421.db2.gz	FDOJDEODULYEDE-VVSUKSJXSA-N	0	3	465.594	2.976	40	10	biogenic,in-vitro	JFCBHN
CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccc(OC)cc3)CC2)N[C@H]1c1ccc(Cl)cc1	ZINC000020637132	195192235	/nfs/dbraw/zinc/19/22/35/195192235.db2.gz	CYEQNKUEAZIPGP-SFTDATJTSA-N	0	3	470.957	2.877	40	10		JFCBHN
CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccc(OC)cc3)CC2)N[C@H]1c1ccc(C)cc1	ZINC000020674519	195199180	/nfs/dbraw/zinc/19/91/80/195199180.db2.gz	BPZVDORBIOAIDR-YADHBBJMSA-N	0	3	450.539	2.532	40	10		JFCBHN
COc1ccc(-c2ccnc(N[C@H]3CO[C@H]4[C@@H]3OC[C@@H]4NCc3ccc(N(C)C)cc3)n2)cc1	ZINC000005399703	554490337	/nfs/dbraw/zinc/49/03/37/554490337.db2.gz	FQUMJDPXDXIXFA-CXSMSNRLSA-N	0	3	461.566	2.955	40	10	biogenic,in-vitro	JFCBHN
CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccc(OC)cc3)CC2)N[C@@H]1c1cccc(Cl)c1	ZINC000020801712	195227150	/nfs/dbraw/zinc/22/71/50/195227150.db2.gz	ZFQNTIITBOPIRF-LEWJYISDSA-N	0	3	470.957	2.877	40	10		JFCBHN
CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccc(OC)cc3)CC2)N[C@H]1c1ccc(Cl)cc1	ZINC000020637129	195192243	/nfs/dbraw/zinc/19/22/43/195192243.db2.gz	CYEQNKUEAZIPGP-RTWAWAEBSA-N	0	3	470.957	2.877	40	10		JFCBHN
CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccc(OC)cc3)CC2)N[C@H]1c1cccc(C)c1	ZINC000020801486	195227225	/nfs/dbraw/zinc/22/72/25/195227225.db2.gz	UQGJEWWUIWVJAK-YADHBBJMSA-N	0	3	450.539	2.532	40	10		JFCBHN
CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccc(OC)cc3)CC2)N[C@@H]1c1ccc(C)cc1	ZINC000020674516	195199132	/nfs/dbraw/zinc/19/91/32/195199132.db2.gz	BPZVDORBIOAIDR-FCHUYYIVSA-N	0	3	450.539	2.532	40	10		JFCBHN
CN(C)c1ccc([C@H](c2nnnn2C[C@H]2CCCO2)N2CCN(C3CCCCC3)CC2)cc1	ZINC000022928932	555980451	/nfs/dbraw/zinc/98/04/51/555980451.db2.gz	CZJBDMQNWJCIFS-DNQXCXABSA-N	0	3	453.635	2.958	40	10		JFCBHN
CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccc(OC)cc3)CC2)N[C@H]1c1cccc(Cl)c1	ZINC000020801715	195227187	/nfs/dbraw/zinc/22/71/87/195227187.db2.gz	ZFQNTIITBOPIRF-RTWAWAEBSA-N	0	3	470.957	2.877	40	10		JFCBHN
CN(C)c1ccc([C@@H](c2nnnn2C[C@@H]2CCCO2)N2CCN(C3CCCCC3)CC2)cc1	ZINC000022928928	555980536	/nfs/dbraw/zinc/98/05/36/555980536.db2.gz	CZJBDMQNWJCIFS-ZEQRLZLVSA-N	0	3	453.635	2.958	40	10		JFCBHN
CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccc(OC)cc3)CC2)N[C@@H]1c1ccc(Cl)cc1	ZINC000020637123	195192196	/nfs/dbraw/zinc/19/21/96/195192196.db2.gz	CYEQNKUEAZIPGP-NHCUHLMSSA-N	0	3	470.957	2.877	40	10		JFCBHN
CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccc(OC)cc3)CC2)N[C@@H]1c1cccc(C)c1	ZINC000020801482	195227176	/nfs/dbraw/zinc/22/71/76/195227176.db2.gz	UQGJEWWUIWVJAK-FCHUYYIVSA-N	0	3	450.539	2.532	40	10		JFCBHN
CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccc(OC)cc3)CC2)N[C@H]1c1cccc(C)c1	ZINC000020801490	195227197	/nfs/dbraw/zinc/22/71/97/195227197.db2.gz	UQGJEWWUIWVJAK-VXKWHMMOSA-N	0	3	450.539	2.532	40	10		JFCBHN
CN(C)c1ccc(CN[C@@H]2[C@H]3CO[C@H](O3)[C@H](N3CCC(Cc4ccccc4)CC3)[C@H]2O)cc1	ZINC000020463776	522212710	/nfs/dbraw/zinc/21/27/10/522212710.db2.gz	NNFWKNVHZIWGPS-KUDLYRENSA-N	0	3	451.611	2.650	40	10	biogenic,in-vitro	JFCBHN
CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccc(OC)cc3)CC2)N[C@@H]1c1cccc(C)c1	ZINC000020801478	195226866	/nfs/dbraw/zinc/22/68/66/195226866.db2.gz	UQGJEWWUIWVJAK-FGZHOGPDSA-N	0	3	450.539	2.532	40	10		JFCBHN
CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccc(OC)cc3)CC2)N[C@H]1c1cccc(Cl)c1	ZINC000020801718	195227280	/nfs/dbraw/zinc/22/72/80/195227280.db2.gz	ZFQNTIITBOPIRF-SFTDATJTSA-N	0	3	470.957	2.877	40	10		JFCBHN
CN(C)c1ccc([C@@H](c2nnnn2C[C@H]2CCCO2)N2CCN(C3CCCCC3)CC2)cc1	ZINC000022928936	555980413	/nfs/dbraw/zinc/98/04/13/555980413.db2.gz	CZJBDMQNWJCIFS-RPWUZVMVSA-N	0	3	453.635	2.958	40	10		JFCBHN
CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccc(OC)cc3)CC2)N[C@@H]1c1ccc(C)cc1	ZINC000020674513	195199208	/nfs/dbraw/zinc/19/92/08/195199208.db2.gz	BPZVDORBIOAIDR-FGZHOGPDSA-N	0	3	450.539	2.532	40	10		JFCBHN
CN(C)c1ccc([C@H](c2nnnn2C[C@@H]2CCCO2)N2CCN(C3CCCCC3)CC2)cc1	ZINC000022928924	555980589	/nfs/dbraw/zinc/98/05/89/555980589.db2.gz	CZJBDMQNWJCIFS-BJKOFHAPSA-N	0	3	453.635	2.958	40	10		JFCBHN