smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccccc1N1C[C@@H]2C[C@@H](c3ccc(C#CC(C)(C)O)s3)[N@H+]3CCC[C@@]23C1=O	ZINC000012303432	524579754	/nfs/dbraw/zinc/57/97/54/524579754.db2.gz	IZZCKYJFFKIABF-SZUKKWSHSA-N	1	1	436.577	3.822	10	30		IHEEMO
COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H]([N@@H+](C)CCS)CC2	ZINC000022062061	522993930	/nfs/dbraw/zinc/99/39/30/522993930.db2.gz	SZSJQKUURVMRBG-KRWDZBQOSA-N	1	1	431.554	3.597	10	30		IHEEMO
C=CCOc1ccccc1C[N@H+]1CC[C@H]2[C@H](CCC(=O)N2Cc2ccc3c(c2)OCO3)C1	ZINC000299758134	519070757	/nfs/dbraw/zinc/07/07/57/519070757.db2.gz	DAOXYIXEIBAHCL-IRLDBZIGSA-N	1	1	434.536	3.993	10	30		IHEEMO
C[C@@H]1CN(Cc2ccc3c(c2)C[N@@H+](Cc2ccc(C#CC(C)(C)O)cc2)CCO3)C[C@H](C)O1	ZINC000012157638	524999013	/nfs/dbraw/zinc/99/90/13/524999013.db2.gz	ZQCLPGOAHGUENX-SZPZYZBQSA-N	1	1	448.607	3.813	10	30		IHEEMO
C[C@@H]1CN(Cc2ccc3c(c2)C[N@H+](Cc2ccc(C#CC(C)(C)O)cc2)CCO3)C[C@H](C)O1	ZINC000012157638	524999025	/nfs/dbraw/zinc/99/90/25/524999025.db2.gz	ZQCLPGOAHGUENX-SZPZYZBQSA-N	1	1	448.607	3.813	10	30		IHEEMO
C#CCOC[C@H](O)C[N@H+](Cc1ccccc1)C[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1	ZINC000036146598	518312599	/nfs/dbraw/zinc/31/25/99/518312599.db2.gz	RAOBDOVMSUKBOC-UXHICEINSA-N	1	1	447.362	3.999	10	30		IHEEMO
C#CCOC[C@H](O)C[N@H+](Cc1ccccc1)C[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1	ZINC000104985127	568623401	/nfs/dbraw/zinc/62/34/01/568623401.db2.gz	RAOBDOVMSUKBOC-WOJBJXKFSA-N	1	1	447.362	3.999	10	30		IHEEMO
C#CCOC[C@@H](O)C[N@H+](Cc1ccccc1)C[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1	ZINC000036146599	518306127	/nfs/dbraw/zinc/30/61/27/518306127.db2.gz	RAOBDOVMSUKBOC-PMACEKPBSA-N	1	1	447.362	3.999	10	30		IHEEMO
COc1cc(/C=N\N2CC[NH+](Cc3ccc(C)cc3C)CC2)cc(Br)c1O	ZINC000015745834	556547889	/nfs/dbraw/zinc/54/78/89/556547889.db2.gz	HFAPFPNJQWWPFE-QRVIBDJDSA-N	1	1	432.362	3.932	10	30		IHEEMO
C#CCOC[C@@H](O)C[N@H+](Cc1ccccc1)C[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1	ZINC000104985129	568623561	/nfs/dbraw/zinc/62/35/61/568623561.db2.gz	RAOBDOVMSUKBOC-VQTJNVASSA-N	1	1	447.362	3.999	10	30		IHEEMO