smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cn1ncc2c1nc(N1CCn3nc([C@@H](O)CO)cc3C1)[nH+]c2N	ZINC000217026169	241233146	/nfs/dbraw/zinc/23/31/46/241233146.db2.gz	HMVHTVOTWCESCN-NSHDSACASA-N	1	2	330.352	-0.812	50	70		EBIALO
Cc1nc(N2CC[N@H+](CC(=O)NCc3ccccn3)C[C@@H](O)C2)no1	ZINC000217392107	241246363	/nfs/dbraw/zinc/24/63/63/241246363.db2.gz	WBAPAMLRYNHGJR-CQSZACIVSA-N	1	2	346.391	-0.428	50	70		EBIALO
Cc1nc(N2CC[N@@H+](CC(=O)NCc3ccccn3)C[C@@H](O)C2)no1	ZINC000217392107	241246364	/nfs/dbraw/zinc/24/63/64/241246364.db2.gz	WBAPAMLRYNHGJR-CQSZACIVSA-N	1	2	346.391	-0.428	50	70		EBIALO
C[NH+](C)[C@H](C(=O)NCCc1n[nH]c(=O)[nH]1)c1ccc2c(c1)OCO2	ZINC000218078567	241296024	/nfs/dbraw/zinc/29/60/24/241296024.db2.gz	HRAFKRSCQAIZDV-ZDUSSCGKSA-N	1	2	333.348	-0.212	50	70		EBIALO
OCCNc1cc(N2CCCn3nc([C@H](O)CO)cc3C2)nc[nH+]1	ZINC000217694393	241268406	/nfs/dbraw/zinc/26/84/06/241268406.db2.gz	XSCSHWJZVRTTEZ-CYBMUJFWSA-N	1	2	334.380	-0.487	50	70		EBIALO
OCCNc1cc(N2CCCn3nc([C@H](O)CO)cc3C2)[nH+]cn1	ZINC000217694393	241268409	/nfs/dbraw/zinc/26/84/09/241268409.db2.gz	XSCSHWJZVRTTEZ-CYBMUJFWSA-N	1	2	334.380	-0.487	50	70		EBIALO
Cn1ncc2c1nc(N1CCn3nc([C@H](O)CO)cc3C1)[nH+]c2N	ZINC000217026213	241234094	/nfs/dbraw/zinc/23/40/94/241234094.db2.gz	HMVHTVOTWCESCN-LLVKDONJSA-N	1	2	330.352	-0.812	50	70		EBIALO
O=C(N1CCn2nc([C@H](O)CO)cc2C1)C1(Cn2cc[nH+]c2)CC1	ZINC000217397594	241249178	/nfs/dbraw/zinc/24/91/78/241249178.db2.gz	KHHBJBPGKVKHNU-CQSZACIVSA-N	1	2	331.376	-0.072	50	70		EBIALO
Cc1cc(C)n(CC(=O)N2CCN(Cc3[nH+]ccn3C)CC2)c(=O)n1	ZINC000218186727	241304251	/nfs/dbraw/zinc/30/42/51/241304251.db2.gz	FBKSQDDYIQOOBX-UHFFFAOYSA-N	1	2	344.419	-0.062	50	70		EBIALO
O=C(N1CCn2nc([C@@H](O)CO)cc2C1)C1(Cn2cc[nH+]c2)CC1	ZINC000217397519	241246572	/nfs/dbraw/zinc/24/65/72/241246572.db2.gz	KHHBJBPGKVKHNU-AWEZNQCLSA-N	1	2	331.376	-0.072	50	70		EBIALO
Cn1nc(C(N)=O)c2c1CCN(C(=O)C[N@H+](C)Cc1cccnc1)C2	ZINC000217687084	241267575	/nfs/dbraw/zinc/26/75/75/241267575.db2.gz	LJSUHEHHKCYHFU-UHFFFAOYSA-N	1	2	342.403	-0.069	50	70		EBIALO
Cn1nc(C(N)=O)c2c1CCN(C(=O)C[N@@H+](C)Cc1cccnc1)C2	ZINC000217687084	241267581	/nfs/dbraw/zinc/26/75/81/241267581.db2.gz	LJSUHEHHKCYHFU-UHFFFAOYSA-N	1	2	342.403	-0.069	50	70		EBIALO
C[N@H+](CC(=O)N1CCN(c2ncc[nH]c2=O)CC1)Cc1cccnc1	ZINC000217466191	241250192	/nfs/dbraw/zinc/25/01/92/241250192.db2.gz	YEUDDPJLNVZSLA-UHFFFAOYSA-N	1	2	342.403	-0.055	50	70		EBIALO
C[N@@H+](CC(=O)N1CCN(c2ncc[nH]c2=O)CC1)Cc1cccnc1	ZINC000217466191	241250196	/nfs/dbraw/zinc/25/01/96/241250196.db2.gz	YEUDDPJLNVZSLA-UHFFFAOYSA-N	1	2	342.403	-0.055	50	70		EBIALO
O[C@@H]1CN(Cc2cn[nH]n2)CC[N@H+](Cc2cnn3cccnc23)C1	ZINC000217575588	241261074	/nfs/dbraw/zinc/26/10/74/241261074.db2.gz	IQOAEDBGKHPVLU-AWEZNQCLSA-N	1	2	328.380	-0.474	50	70		EBIALO
O[C@@H]1CN(Cc2cn[nH]n2)CC[N@@H+](Cc2cnn3cccnc23)C1	ZINC000217575588	241261075	/nfs/dbraw/zinc/26/10/75/241261075.db2.gz	IQOAEDBGKHPVLU-AWEZNQCLSA-N	1	2	328.380	-0.474	50	70		EBIALO
O[C@@H]1CN(Cc2c[nH]nn2)CC[N@H+](Cc2cnn3cccnc23)C1	ZINC000217575588	241261080	/nfs/dbraw/zinc/26/10/80/241261080.db2.gz	IQOAEDBGKHPVLU-AWEZNQCLSA-N	1	2	328.380	-0.474	50	70		EBIALO
O[C@@H]1CN(Cc2c[nH]nn2)CC[N@@H+](Cc2cnn3cccnc23)C1	ZINC000217575588	241261081	/nfs/dbraw/zinc/26/10/81/241261081.db2.gz	IQOAEDBGKHPVLU-AWEZNQCLSA-N	1	2	328.380	-0.474	50	70		EBIALO
OCCNc1cc(N2CCCn3nc([C@@H](O)CO)cc3C2)nc[nH+]1	ZINC000217694302	241268773	/nfs/dbraw/zinc/26/87/73/241268773.db2.gz	XSCSHWJZVRTTEZ-ZDUSSCGKSA-N	1	2	334.380	-0.487	50	70		EBIALO
OCCNc1cc(N2CCCn3nc([C@@H](O)CO)cc3C2)[nH+]cn1	ZINC000217694302	241268779	/nfs/dbraw/zinc/26/87/79/241268779.db2.gz	XSCSHWJZVRTTEZ-ZDUSSCGKSA-N	1	2	334.380	-0.487	50	70		EBIALO
Cc1cc(NC(=O)CN2CCN(c3nc(N)cc[nH+]3)C[C@@H](O)C2)no1	ZINC000217208372	241240566	/nfs/dbraw/zinc/24/05/66/241240566.db2.gz	RXUMRDQZKBCDKW-NSHDSACASA-N	1	2	347.379	-0.523	50	70		EBIALO
CCc1[nH+]c(C)ccc1OCC(=O)N1CCN(S(N)(=O)=O)CC1	ZINC000217136798	241234850	/nfs/dbraw/zinc/23/48/50/241234850.db2.gz	CCOQGSMWRHIWQI-UHFFFAOYSA-N	1	2	342.421	-0.321	50	70		EBIALO
C[NH+](C)[C@@H](C(=O)NCCc1n[nH]c(=O)[nH]1)c1ccc2c(c1)OCO2	ZINC000218078496	241295706	/nfs/dbraw/zinc/29/57/06/241295706.db2.gz	HRAFKRSCQAIZDV-CYBMUJFWSA-N	1	2	333.348	-0.212	50	70		EBIALO
CNC(=O)c1ccc(C[N@@H+]2CCN(c3cc(=O)[nH]cn3)C[C@@H](O)C2)o1	ZINC000217173153	536422623	/nfs/dbraw/zinc/42/26/23/536422623.db2.gz	MFDYNKRJWFKABY-NSHDSACASA-N	1	2	347.375	-0.182	50	70		EBIALO
CNC(=O)c1ccc(C[N@H+]2CCN(c3cc(=O)[nH]cn3)C[C@@H](O)C2)o1	ZINC000217173153	536422626	/nfs/dbraw/zinc/42/26/26/536422626.db2.gz	MFDYNKRJWFKABY-NSHDSACASA-N	1	2	347.375	-0.182	50	70		EBIALO
O=C(Cc1ccc2c(c1)OCO2)N1C[C@H](O)[C@@H]([NH+]2CCOCC2)C1	ZINC000218039367	241291650	/nfs/dbraw/zinc/29/16/50/241291650.db2.gz	AXZZXJQKOPTTCK-KBPBESRZSA-N	1	2	334.372	-0.138	50	70		EBIALO