smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCC(O)(CC=C)C[NH2+]Cc1ccc(OC)c(OC[C@@H](O)C[NH+]2CCCCCCC2)c1	ZINC000012437800	518687947	/nfs/dbraw/zinc/68/79/47/518687947.db2.gz	NQJXBDLOLHBSJE-QHCPKHFHSA-N	2	0	446.632	3.674	50	30		IHEARP
C#Cc1cccc(C(=O)N(CCC[NH+](C)C)CC2CC[NH+](C3Cc4ccccc4C3)CC2)c1	ZINC000012471252	518357994	/nfs/dbraw/zinc/35/79/94/518357994.db2.gz	RPDSTTMCGUZLAM-UHFFFAOYSA-N	2	0	443.635	3.941	50	30		IHEARP
C=CCC(O)(CC=C)C[NH2+]Cc1ccc(OC)c(OC[C@H](O)C[NH+]2CCCCCCC2)c1	ZINC000012437801	518688335	/nfs/dbraw/zinc/68/83/35/518688335.db2.gz	NQJXBDLOLHBSJE-HSZRJFAPSA-N	2	0	446.632	3.674	50	30		IHEARP
C=CCC(O)(CC=C)C[NH2+]Cc1ccc(OC[C@H](O)C[N@H+](C)C2CCCCC2)c(OC)c1	ZINC000012387061	518687984	/nfs/dbraw/zinc/68/79/84/518687984.db2.gz	OXNAQDOJOZDSST-HSZRJFAPSA-N	2	0	446.632	3.672	50	30		IHEARP
O=C(C[n+]1ccc(-c2cc[n+](CC(=O)c3ccc(F)cc3)cc2)cc1)c1ccc(F)cc1	ZINC000001771996	527193949	/nfs/dbraw/zinc/19/39/49/527193949.db2.gz	SDXDTBKTCADMIY-UHFFFAOYSA-N	2	0	430.454	3.973	50	30		IHEARP
C#Cc1ccc(C[NH+]2CCC(Oc3ccc(C(=O)NCC[NH+](C)C)cc3Cl)CC2)cc1	ZINC000011878906	568820930	/nfs/dbraw/zinc/82/09/30/568820930.db2.gz	OSNZCZPTUUWOAE-UHFFFAOYSA-N	2	0	439.987	3.656	50	30		IHEARP
C=CCC(O)(CC=C)C[NH2+]Cc1ccc(OC[C@@H](O)C[N@H+](C)C2CCCCC2)c(OC)c1	ZINC000012387060	518688517	/nfs/dbraw/zinc/68/85/17/518688517.db2.gz	OXNAQDOJOZDSST-QHCPKHFHSA-N	2	0	446.632	3.672	50	30		IHEARP
CC[NH+](CC)CCNC(=S)Nc1ccc2nc(N3CC[NH+](CC)CC3)cc(C)c2c1	ZINC000020153554	563023911	/nfs/dbraw/zinc/02/39/11/563023911.db2.gz	UXDGHRWOHOPKIL-UHFFFAOYSA-N	2	0	428.650	3.725	50	30		IHEARP
C[N+](C)(CCCCCC[N+](C)(C)CC(=O)Oc1ccccc1)CC(=O)Oc1ccccc1	ZINC000004551995	556000811	/nfs/dbraw/zinc/00/08/11/556000811.db2.gz	ZLUSQPGCJUXPFK-UHFFFAOYSA-N	2	0	442.600	3.911	50	30		IHEARP