smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CS(=O)(=O)c1cc(Br)cc(C(=O)N2CCC[C@H]2CN)c1F	ZINC000160290880	530550263	/nfs/dbraw/zinc/55/02/63/530550263.db2.gz	ODVHJPPHZAMNPO-VIFPVBQESA-N	0	3	379.251	1.555	50	70		GDIAHN
OC[C@@H](O)c1cc2n(n1)CCCN(Cc1cc(CN3CCCC3)cs1)C2	ZINC000217008299	570310974	/nfs/dbraw/zinc/31/09/74/570310974.db2.gz	CWRRKKTWKXWWNT-LJQANCHMSA-N	0	3	376.526	1.972	50	70		GDIAHN
COc1ccc(CN2CCn3nc([C@@H](O)CO)cc3C2)cc1CN1CCCC1	ZINC000218205393	570327642	/nfs/dbraw/zinc/32/76/42/570327642.db2.gz	ORLLSTFEOLMEFG-FQEVSTJZSA-N	0	3	386.496	1.529	50	70		GDIAHN
CN1C(=O)N(C)C2(CCN(C(=O)CN3CC[C@@H](c4ccccc4)C3)CC2)C1=O	ZINC000217940896	570322700	/nfs/dbraw/zinc/32/27/00/570322700.db2.gz	KCFDPVYHGUCKIS-QGZVFWFLSA-N	0	3	384.480	1.361	50	70		GDIAHN
OC[C@H](O)c1cc2n(n1)CCCN(Cc1cc(CN3CCCC3)cs1)C2	ZINC000217008312	570311092	/nfs/dbraw/zinc/31/10/92/570311092.db2.gz	CWRRKKTWKXWWNT-IBGZPJMESA-N	0	3	376.526	1.972	50	70		GDIAHN
C[NH+](C)CCO[C@H]1CCOC[C@H]1[N-]S(=O)(=O)Cc1cccc(Cl)c1	ZINC000218022648	531027564	/nfs/dbraw/zinc/02/75/64/531027564.db2.gz	DRCNSKMTYALVSN-CVEARBPZSA-N	0	3	376.906	1.495	50	70		GDIAHN
CN1C(=O)N(C)C2(CCN(C(=O)CN3CC[C@H](c4ccccc4)C3)CC2)C1=O	ZINC000217940983	570322671	/nfs/dbraw/zinc/32/26/71/570322671.db2.gz	KCFDPVYHGUCKIS-KRWDZBQOSA-N	0	3	384.480	1.361	50	70		GDIAHN
CC[N@@H+]1CCC[C@H]1CNC(=O)Cn1ccc2c1cccc2[N-]S(C)(=O)=O	ZINC000218349183	570332161	/nfs/dbraw/zinc/33/21/61/570332161.db2.gz	WJXJFZOAKWUNDO-AWEZNQCLSA-N	0	3	378.498	1.613	50	70		GDIAHN
CC[N@H+]1CCC[C@H]1CNC(=O)Cn1ccc2c1cccc2[N-]S(C)(=O)=O	ZINC000218349183	570332163	/nfs/dbraw/zinc/33/21/63/570332163.db2.gz	WJXJFZOAKWUNDO-AWEZNQCLSA-N	0	3	378.498	1.613	50	70		GDIAHN
CO[C@@H]1CCOC[C@H]1NC(=O)c1cc(CN)cc(NC(=O)c2ccccn2)c1	ZINC000218174371	570327220	/nfs/dbraw/zinc/32/72/20/570327220.db2.gz	RCIRFCKHHKUHCZ-QZTJIDSGSA-N	0	3	384.436	1.326	50	70		GDIAHN
COc1ccc(CN2CCn3nc([C@H](O)CO)cc3C2)cc1CN1CCCC1	ZINC000218205474	570327994	/nfs/dbraw/zinc/32/79/94/570327994.db2.gz	ORLLSTFEOLMEFG-HXUWFJFHSA-N	0	3	386.496	1.529	50	70		GDIAHN
CS(=O)(=O)c1cc(Br)cc(C(=O)N2CCC[C@@H]2CN)c1F	ZINC000160290761	530550135	/nfs/dbraw/zinc/55/01/35/530550135.db2.gz	ODVHJPPHZAMNPO-SECBINFHSA-N	0	3	379.251	1.555	50	70		GDIAHN
N[C@@H]1CCN(C(=O)CCCS(=O)(=O)c2ccc(Br)cc2)C1	ZINC000160274657	530550088	/nfs/dbraw/zinc/55/00/88/530550088.db2.gz	RSWSUMTWGYTAHL-GFCCVEGCSA-N	0	3	375.288	1.563	50	70		GDIAHN
CC[N@@H+]1CCC[C@@H]1CNC(=O)Cn1ccc2c1cccc2[N-]S(C)(=O)=O	ZINC000218349103	570332077	/nfs/dbraw/zinc/33/20/77/570332077.db2.gz	WJXJFZOAKWUNDO-CQSZACIVSA-N	0	3	378.498	1.613	50	70		GDIAHN
CC[N@H+]1CCC[C@@H]1CNC(=O)Cn1ccc2c1cccc2[N-]S(C)(=O)=O	ZINC000218349103	570332081	/nfs/dbraw/zinc/33/20/81/570332081.db2.gz	WJXJFZOAKWUNDO-CQSZACIVSA-N	0	3	378.498	1.613	50	70		GDIAHN