smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(=O)n2nc(CC(=O)N3CCN(Cc4nc[nH]n4)CC3)[nH]c2n1	ZINC000217574949	525339947	/nfs/dbraw/zinc/33/99/47/525339947.db2.gz	OWQGISXTXIJZLL-UHFFFAOYSA-N	0	2	357.378	-0.857	50	70		FBIALN
Cc1cc(=O)n2nc(CC(=O)N3CCn4nc([C@@H](C)O)cc4C3)[nH]c2n1	ZINC000217597848	206364536	/nfs/dbraw/zinc/36/45/36/206364536.db2.gz	XLEZYKRTSAOSBR-SNVBAGLBSA-N	0	2	357.374	-0.027	50	70		FBIALN
Cc1cc(=O)n2nc(CC(=O)N3CCn4nc([C@H](C)O)cc4C3)[nH]c2n1	ZINC000217597929	483858747	/nfs/dbraw/zinc/85/87/47/483858747.db2.gz	XLEZYKRTSAOSBR-JTQLQIEISA-N	0	2	357.374	-0.027	50	70		FBIALN
Cc1nn2c([n-]1)nc(C[N@H+]1CCCn3nc([C@@H](O)CO)cc3C1)cc2=O	ZINC000217602467	206364124	/nfs/dbraw/zinc/36/41/24/206364124.db2.gz	GNMQDDLYXQONSU-AWEZNQCLSA-N	0	2	359.390	-0.234	50	70		FBIALN
Cc1nn2c([n-]1)nc(C[N@@H+]1CCCn3nc([C@@H](O)CO)cc3C1)cc2=O	ZINC000217602467	206364120	/nfs/dbraw/zinc/36/41/20/206364120.db2.gz	GNMQDDLYXQONSU-AWEZNQCLSA-N	0	2	359.390	-0.234	50	70		FBIALN
Cc1nn2c([n-]1)nc(C[N@H+]1CCCn3nc([C@H](O)CO)cc3C1)cc2=O	ZINC000217602558	527200407	/nfs/dbraw/zinc/20/04/07/527200407.db2.gz	GNMQDDLYXQONSU-CQSZACIVSA-N	0	2	359.390	-0.234	50	70		FBIALN
Cc1nn2c([n-]1)nc(C[N@@H+]1CCCn3nc([C@H](O)CO)cc3C1)cc2=O	ZINC000217602558	527200402	/nfs/dbraw/zinc/20/04/02/527200402.db2.gz	GNMQDDLYXQONSU-CQSZACIVSA-N	0	2	359.390	-0.234	50	70		FBIALN
Cc1cc(=O)n2nc(CC(=O)NCc3nc(-c4cnccn4)n[nH]3)[nH]c2n1	ZINC000217763119	525339904	/nfs/dbraw/zinc/33/99/04/525339904.db2.gz	ZJFHKXROJSFWAI-UHFFFAOYSA-N	0	2	366.345	-0.428	50	70		FBIALN
Cc1cc(S(=O)(=O)NCC(=O)N[C@@H](C)c2n[nH]c(=O)[nH]2)ccc1F	ZINC000217801833	483859794	/nfs/dbraw/zinc/85/97/94/483859794.db2.gz	UELTYQZYTQQGSJ-QMMMGPOBSA-N	0	2	357.367	-0.299	50	70		FBIALN
Cc1cc(S(=O)(=O)NCC(=O)N[C@H](C)c2n[nH]c(=O)[nH]2)ccc1F	ZINC000217801914	525405604	/nfs/dbraw/zinc/40/56/04/525405604.db2.gz	UELTYQZYTQQGSJ-MRVPVSSYSA-N	0	2	357.367	-0.299	50	70		FBIALN
Nc1nnc(CCC(=O)N2CCn3nc([C@@H](O)C4CC4)cc3C2)c(=O)[nH]1	ZINC000218774436	483864035	/nfs/dbraw/zinc/86/40/35/483864035.db2.gz	IEDSOHZSJNKYON-AWEZNQCLSA-N	0	2	359.390	-0.638	50	70		FBIALN
Nc1nnc(CCC(=O)N2CCn3nc([C@H](O)C4CC4)cc3C2)c(=O)[nH]1	ZINC000218774512	206374914	/nfs/dbraw/zinc/37/49/14/206374914.db2.gz	IEDSOHZSJNKYON-CQSZACIVSA-N	0	2	359.390	-0.638	50	70		FBIALN