smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C#Cc1ccc(C[NH+]2CCC([NH+]3CCC(C(=O)NC[C@@H]4CCCO4)CC3)CC2)cc1	ZINC000012717661	568996329	/nfs/dbraw/zinc/99/63/29/568996329.db2.gz	NNAZSZFWTHHIPK-DEOSSOPVSA-N	2	2	409.574	2.640	50	30		HFEALP
C#Cc1ccc(C[NH+]2CCC([NH+]3CCC(C(=O)NC[C@H]4CCCO4)CC3)CC2)cc1	ZINC000012717663	568996358	/nfs/dbraw/zinc/99/63/58/568996358.db2.gz	NNAZSZFWTHHIPK-XMMPIXPASA-N	2	2	409.574	2.640	50	30		HFEALP
Cc1sc(NC(=O)C[NH+]2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c(C#N)c1C	ZINC000072312083	558799040	/nfs/dbraw/zinc/79/90/40/558799040.db2.gz	HBGWUNOSYVBXDY-GJZGRUSLSA-N	2	2	404.580	2.996	50	30		HFEALP
CC(C)NC(=O)C1CC[NH+](C2CC[NH+](Cc3ccc(C#CCCO)cc3)CC2)CC1	ZINC000055088834	519700991	/nfs/dbraw/zinc/70/09/91/519700991.db2.gz	BZBHCCGPDSYADM-UHFFFAOYSA-N	2	2	411.590	2.622	50	30		HFEALP
Cc1sc(NC(=O)C[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c(C#N)c1C	ZINC000072312081	558799142	/nfs/dbraw/zinc/79/91/42/558799142.db2.gz	HBGWUNOSYVBXDY-GASCZTMLSA-N	2	2	404.580	2.996	50	30		HFEALP
Cc1sc(NC(=O)C[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c(C#N)c1C	ZINC000072312081	558799144	/nfs/dbraw/zinc/79/91/44/558799144.db2.gz	HBGWUNOSYVBXDY-GASCZTMLSA-N	2	2	404.580	2.996	50	30		HFEALP
C#CC[N@H+](Cc1ccco1)Cc1ccccc1OC[C@@H](O)C[NH+]1CCSCC1	ZINC000011878639	568992471	/nfs/dbraw/zinc/99/24/71/568992471.db2.gz	IYPSTQCPBHQTQU-FQEVSTJZSA-N	2	2	400.544	2.704	50	30		HFEALP
C#CC[N@@H+](Cc1ccco1)Cc1ccccc1OC[C@@H](O)C[NH+]1CCSCC1	ZINC000011878639	568992472	/nfs/dbraw/zinc/99/24/72/568992472.db2.gz	IYPSTQCPBHQTQU-FQEVSTJZSA-N	2	2	400.544	2.704	50	30		HFEALP
N#Cc1ccc(C[NH+]2CCN(CC(=O)Nc3ccc(C[NH+]4CCCC4)cc3)CC2)cc1	ZINC000032759434	526615205	/nfs/dbraw/zinc/61/52/05/526615205.db2.gz	WZBURYHZKSJNHN-UHFFFAOYSA-N	2	2	417.557	2.910	50	30		HFEALP
Cc1sc(NC(=O)C[NH+]2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c(C#N)c1C	ZINC000072312082	558799073	/nfs/dbraw/zinc/79/90/73/558799073.db2.gz	HBGWUNOSYVBXDY-HUUCEWRRSA-N	2	2	404.580	2.996	50	30		HFEALP
[NH2+]=C1NC(Nc2ccc(F)c(Cl)c2)=[NH+][C@@H](c2coc3ccc(F)cc3c2=O)N1	ZINC000019330217	558867978	/nfs/dbraw/zinc/86/79/78/558867978.db2.gz	QPMBIMVGJZSIOQ-INIZCTEOSA-N	2	2	403.776	2.918	50	30		HFEALP
C#CC[N@H+](Cc1ccco1)Cc1ccccc1OC[C@H](O)C[NH+]1CCSCC1	ZINC000011878638	568992477	/nfs/dbraw/zinc/99/24/77/568992477.db2.gz	IYPSTQCPBHQTQU-HXUWFJFHSA-N	2	2	400.544	2.704	50	30		HFEALP
C#CC[N@@H+](Cc1ccco1)Cc1ccccc1OC[C@H](O)C[NH+]1CCSCC1	ZINC000011878638	568992478	/nfs/dbraw/zinc/99/24/78/568992478.db2.gz	IYPSTQCPBHQTQU-HXUWFJFHSA-N	2	2	400.544	2.704	50	30		HFEALP
[NH2+]=C1NC(Nc2ccc(F)c(Cl)c2)=[NH+][C@H](c2coc3ccc(F)cc3c2=O)N1	ZINC000019330214	558868019	/nfs/dbraw/zinc/86/80/19/558868019.db2.gz	QPMBIMVGJZSIOQ-MRXNPFEDSA-N	2	2	403.776	2.918	50	30		HFEALP
NC(=[NH+]OCC(=O)Nc1ccc(F)c(Cl)c1)c1ccc(C[NH+]2CCOCC2)cc1	ZINC000062582052	559273793	/nfs/dbraw/zinc/27/37/93/559273793.db2.gz	UETQHPKBBMHACV-UHFFFAOYSA-N	2	2	420.872	2.587	50	30		HFEALP