smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C#CCOC[C@@H](O)C[NH+]1CCN(Cc2nc(C(=O)NCCC)co2)CC1	ZINC000034677288	518305089	/nfs/dbraw/zinc/30/50/89/518305089.db2.gz	UNIZCUYTKDZKIP-HNNXBMFYSA-N	1	1	364.446	-0.057	10	30		FBEEMO
C#CCOC[C@H](O)C[NH+]1CCN(Cc2nc(C(=O)NCCC)co2)CC1	ZINC000034677289	518312838	/nfs/dbraw/zinc/31/28/38/518312838.db2.gz	UNIZCUYTKDZKIP-OAHLLOKOSA-N	1	1	364.446	-0.057	10	30		FBEEMO
N#C[C@H](c1cccs1)N1CCN(C(=O)C[N@@H+]2C[C@H](O)C[C@@H]2CO)CC1	ZINC000185178429	484505634	/nfs/dbraw/zinc/50/56/34/484505634.db2.gz	MHAMANCSRKDOSB-RBSFLKMASA-N	1	1	364.471	-0.116	10	30		FBEEMO
N#C[C@H](c1cccs1)N1CCN(C(=O)C[N@H+]2C[C@H](O)C[C@@H]2CO)CC1	ZINC000185178429	484505631	/nfs/dbraw/zinc/50/56/31/484505631.db2.gz	MHAMANCSRKDOSB-RBSFLKMASA-N	1	1	364.471	-0.116	10	30		FBEEMO
N#C[C@H](c1cccs1)N1CCN(C(=O)C[N@@H+]2C[C@@H](O)C[C@@H]2CO)CC1	ZINC000248393822	484894486	/nfs/dbraw/zinc/89/44/86/484894486.db2.gz	MHAMANCSRKDOSB-QLFBSQMISA-N	1	1	364.471	-0.116	10	30		FBEEMO
N#C[C@H](c1cccs1)N1CCN(C(=O)C[N@H+]2C[C@@H](O)C[C@@H]2CO)CC1	ZINC000248393822	484894480	/nfs/dbraw/zinc/89/44/80/484894480.db2.gz	MHAMANCSRKDOSB-QLFBSQMISA-N	1	1	364.471	-0.116	10	30		FBEEMO
C[NH+]=C(NC[C@@H]1CCCN1C)N1CCC([C@]2(C)NC(=O)NC2=O)CC1	ZINC000261731835	658925699	/nfs/dbraw/zinc/92/56/99/658925699.db2.gz	JOPXLTCCJPGJSM-GUYCJALGSA-N	1	1	350.467	-0.034	10	30		FBEEMO
C[NH+]=C(NC[C@@H]1CCCN1C)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1	ZINC000261731836	658925788	/nfs/dbraw/zinc/92/57/88/658925788.db2.gz	JOPXLTCCJPGJSM-SUMWQHHRSA-N	1	1	350.467	-0.034	10	30		FBEEMO