smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN1CC[C@@](O)(CNC(=[NH2+])N2CCOCC2)C1	ZINC000262322929	536475582	/nfs/dbraw/zinc/47/55/82/536475582.db2.gz	SKZYBDPYBFSLIL-LLVKDONJSA-N	1	3	242.323	-1.300	20	30		BAEDHO
CN1CC[C@](O)(CNC(=[NH2+])N2CCOCC2)C1	ZINC000262322930	135293032	/nfs/dbraw/zinc/29/30/32/135293032.db2.gz	SKZYBDPYBFSLIL-NSHDSACASA-N	1	3	242.323	-1.300	20	30		BAEDHO
COCCNC(=[NH2+])NC[C@@]1(O)CCN(C)C1	ZINC000262323679	135293377	/nfs/dbraw/zinc/29/33/77/135293377.db2.gz	SPXSLNYZHFSBFQ-JTQLQIEISA-N	1	3	230.312	-1.396	20	30		BAEDHO
COCCNC(=[NH2+])NC[C@]1(O)CCN(C)C1	ZINC000262323682	135293170	/nfs/dbraw/zinc/29/31/70/135293170.db2.gz	SPXSLNYZHFSBFQ-SNVBAGLBSA-N	1	3	230.312	-1.396	20	30		BAEDHO
CN(C)C(=[NH2+])NC[C@]1(O)CCN(C)C1	ZINC000262349523	135294827	/nfs/dbraw/zinc/29/48/27/135294827.db2.gz	YONSVIMXHZBAPP-SECBINFHSA-N	1	3	200.286	-1.071	20	30		BAEDHO
CN(C)C(=[NH2+])NC[C@@]1(O)CCN(C)C1	ZINC000262349526	135294845	/nfs/dbraw/zinc/29/48/45/135294845.db2.gz	YONSVIMXHZBAPP-VIFPVBQESA-N	1	3	200.286	-1.071	20	30		BAEDHO
C[C@@H]1C[NH+]=C(NC[C@]2(O)CCN(C)C2)N1	ZINC000262667214	135312474	/nfs/dbraw/zinc/31/24/74/135312474.db2.gz	PIOXZIBEEFENDP-PSASIEDQSA-N	1	3	212.297	-1.010	20	30		BAEDHO
C[C@@H]1C[NH+]=C(NC[C@@]2(O)CCN(C)C2)N1	ZINC000262667215	135312496	/nfs/dbraw/zinc/31/24/96/135312496.db2.gz	PIOXZIBEEFENDP-SCZZXKLOSA-N	1	3	212.297	-1.010	20	30		BAEDHO
C[C@H]1C[NH+]=C(NC[C@]2(O)CCN(C)C2)N1	ZINC000262667217	135312453	/nfs/dbraw/zinc/31/24/53/135312453.db2.gz	PIOXZIBEEFENDP-WCBMZHEXSA-N	1	3	212.297	-1.010	20	30		BAEDHO
C[C@H]1C[NH+]=C(NC[C@@]2(O)CCN(C)C2)N1	ZINC000262667218	135312484	/nfs/dbraw/zinc/31/24/84/135312484.db2.gz	PIOXZIBEEFENDP-WPRPVWTQSA-N	1	3	212.297	-1.010	20	30		BAEDHO
CNC(NC[C@]1(O)CCN(C)C1)=[NH+]C	ZINC000606274867	712350597	/nfs/dbraw/zinc/35/05/97/712350597.db2.gz	UIBJNFTULGTFLW-SECBINFHSA-N	1	3	200.286	-1.152	20	30		BAEDHO
CNC(NC[C@@]1(O)CCN(C)C1)=[NH+]C	ZINC000606274868	712350499	/nfs/dbraw/zinc/35/04/99/712350499.db2.gz	UIBJNFTULGTFLW-VIFPVBQESA-N	1	3	200.286	-1.152	20	30		BAEDHO
COCC[NH2+]CC(=O)N[C@H]1CNC[C@H]1C#N	ZINC000834483939	712598435	/nfs/dbraw/zinc/59/84/35/712598435.db2.gz	BLOXHHUBTCNDFN-BDAKNGLRSA-N	1	3	226.280	-1.550	20	30		BAEDHO
COCC[NH2+]CC(=O)N[C@@H]1CNC[C@@H]1C#N	ZINC000834483940	712598549	/nfs/dbraw/zinc/59/85/49/712598549.db2.gz	BLOXHHUBTCNDFN-DTWKUNHWSA-N	1	3	226.280	-1.550	20	30		BAEDHO
COCC[NH2+]CC(=O)N[C@H]1CNC[C@@H]1C#N	ZINC000834483941	712598416	/nfs/dbraw/zinc/59/84/16/712598416.db2.gz	BLOXHHUBTCNDFN-IUCAKERBSA-N	1	3	226.280	-1.550	20	30		BAEDHO
COCC[NH2+]CC(=O)N[C@@H]1CNC[C@H]1C#N	ZINC000834483942	712598482	/nfs/dbraw/zinc/59/84/82/712598482.db2.gz	BLOXHHUBTCNDFN-RKDXNWHRSA-N	1	3	226.280	-1.550	20	30		BAEDHO