smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C(=O)CC[C@H]1CCC[N@@H+](Cc2ccc(C#CC(C)(C)O)s2)C1)C1CC[NH+](C)CC1	ZINC000011817706	568820843	/nfs/dbraw/zinc/82/08/43/568820843.db2.gz	PGECJVZENBQDLL-HXUWFJFHSA-N	2	1	445.673	3.415	50	30		IGEAMP
COCC[NH+]1CCC(C[N@H+](Cc2ccc(C#CC(C)(C)O)s2)C[C@H]2CCCO2)CC1	ZINC000012714041	523811916	/nfs/dbraw/zinc/81/19/16/523811916.db2.gz	JPRGIWYONWKVTM-OAQYLSRUSA-N	2	1	434.646	3.210	50	30		IGEAMP
COCC[NH+]1CCC(C[N@H+](Cc2ccc(C#CC(C)(C)O)s2)C[C@@H]2CCCO2)CC1	ZINC000012714037	523812585	/nfs/dbraw/zinc/81/25/85/523812585.db2.gz	JPRGIWYONWKVTM-NRFANRHFSA-N	2	1	434.646	3.210	50	30		IGEAMP
CN(C(=O)CC[C@@H]1CCC[N@@H+](Cc2ccc(C#CC(C)(C)O)s2)C1)C1CC[NH+](C)CC1	ZINC000011817705	568820823	/nfs/dbraw/zinc/82/08/23/568820823.db2.gz	PGECJVZENBQDLL-FQEVSTJZSA-N	2	1	445.673	3.415	50	30		IGEAMP
CC[NH+]1CCN(C(=S)Nc2ccc3nc(N4CC[NH+](CC)CC4)cc(C)c3c2)CC1	ZINC000008682872	562961750	/nfs/dbraw/zinc/96/17/50/562961750.db2.gz	FGXORRWTASCLIV-UHFFFAOYSA-N	2	1	426.634	3.240	50	30		IGEAMP
C=CCC1(CC=C)CCC[N@@H+]1Cc1ccc(OC)cc1OC[C@@H](O)CN1CC[NH+](C)CC1	ZINC000020538080	518689795	/nfs/dbraw/zinc/68/97/95/518689795.db2.gz	ATQGSXGHCZXSOI-QHCPKHFHSA-N	2	1	443.632	3.169	50	30		IGEAMP
C=CCC1(CC=C)CCC[N@H+]1Cc1ccc(OC)cc1OC[C@@H](O)C[NH+]1CCN(C)CC1	ZINC000020538080	518689814	/nfs/dbraw/zinc/68/98/14/518689814.db2.gz	ATQGSXGHCZXSOI-QHCPKHFHSA-N	2	1	443.632	3.169	50	30		IGEAMP
C=CCC1(CC=C)CCC[N@@H+]1Cc1ccc(OC)cc1OC[C@@H](O)C[NH+]1CCN(C)CC1	ZINC000020538080	518689820	/nfs/dbraw/zinc/68/98/20/518689820.db2.gz	ATQGSXGHCZXSOI-QHCPKHFHSA-N	2	1	443.632	3.169	50	30		IGEAMP
C=CCC1(CC=C)CCC[N@@H+]1Cc1ccc(OC)cc1OC[C@H](O)CN1CC[NH+](C)CC1	ZINC000020538083	518690549	/nfs/dbraw/zinc/69/05/49/518690549.db2.gz	ATQGSXGHCZXSOI-HSZRJFAPSA-N	2	1	443.632	3.169	50	30		IGEAMP
C=CCC1(CC=C)CCC[N@H+]1Cc1ccc(OC)cc1OC[C@H](O)C[NH+]1CCN(C)CC1	ZINC000020538083	518690571	/nfs/dbraw/zinc/69/05/71/518690571.db2.gz	ATQGSXGHCZXSOI-HSZRJFAPSA-N	2	1	443.632	3.169	50	30		IGEAMP
C=CCC1(CC=C)CCC[N@@H+]1Cc1ccc(OC)cc1OC[C@H](O)C[NH+]1CCN(C)CC1	ZINC000020538083	518690582	/nfs/dbraw/zinc/69/05/82/518690582.db2.gz	ATQGSXGHCZXSOI-HSZRJFAPSA-N	2	1	443.632	3.169	50	30		IGEAMP
COc1ccccc1C[N@H+]1CCC[C@@H](CN(CC[NH+](C)C)C(=O)C#Cc2ccccc2)C1	ZINC000012465035	524448306	/nfs/dbraw/zinc/44/83/06/524448306.db2.gz	AURFXSCSMBPQIZ-XMMPIXPASA-N	2	1	433.596	3.349	50	30		IGEAMP
C=CCC1(CC=C)CCC[N@@H+]1Cc1ccc(OC)c(OC[C@H](O)CN2CC[NH+](C)CC2)c1	ZINC000023375173	568859683	/nfs/dbraw/zinc/85/96/83/568859683.db2.gz	SJHNIRKJBAOVQH-HSZRJFAPSA-N	2	1	443.632	3.169	50	30		IGEAMP
C=CCC1(CC=C)CCC[N@H+]1Cc1ccc(OC)c(OC[C@H](O)C[NH+]2CCN(C)CC2)c1	ZINC000023375173	568859689	/nfs/dbraw/zinc/85/96/89/568859689.db2.gz	SJHNIRKJBAOVQH-HSZRJFAPSA-N	2	1	443.632	3.169	50	30		IGEAMP
C=CCC1(CC=C)CCC[N@@H+]1Cc1ccc(OC)c(OC[C@H](O)C[NH+]2CCN(C)CC2)c1	ZINC000023375173	568859692	/nfs/dbraw/zinc/85/96/92/568859692.db2.gz	SJHNIRKJBAOVQH-HSZRJFAPSA-N	2	1	443.632	3.169	50	30		IGEAMP
CCN(CC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1ccc(C#CC(C)(C)O)cc1	ZINC000012303155	520978364	/nfs/dbraw/zinc/97/83/64/520978364.db2.gz	ZSAVEPZOSYTIPG-UHFFFAOYSA-N	2	1	425.617	3.077	50	30		IGEAMP
C=CCC1(CC=C)CCC[N@@H+]1Cc1ccc(OC)c(OC[C@@H](O)CN2CC[NH+](C)CC2)c1	ZINC000023375172	568859655	/nfs/dbraw/zinc/85/96/55/568859655.db2.gz	SJHNIRKJBAOVQH-QHCPKHFHSA-N	2	1	443.632	3.169	50	30		IGEAMP
C=CCC1(CC=C)CCC[N@H+]1Cc1ccc(OC)c(OC[C@@H](O)C[NH+]2CCN(C)CC2)c1	ZINC000023375172	568859658	/nfs/dbraw/zinc/85/96/58/568859658.db2.gz	SJHNIRKJBAOVQH-QHCPKHFHSA-N	2	1	443.632	3.169	50	30		IGEAMP
C=CCC1(CC=C)CCC[N@@H+]1Cc1ccc(OC)c(OC[C@@H](O)C[NH+]2CCN(C)CC2)c1	ZINC000023375172	568859659	/nfs/dbraw/zinc/85/96/59/568859659.db2.gz	SJHNIRKJBAOVQH-QHCPKHFHSA-N	2	1	443.632	3.169	50	30		IGEAMP