smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#Cc1cccc(C[N@H+]2C[C@H]3C[C@H](Cn4c(=O)ccc(-c5ccc6ccccc6c5)c43)C2)c1	ZINC000020503376	526705648	/nfs/dbraw/zinc/70/56/48/526705648.db2.gz	DRTMJXOVPWKHSS-BKMJKUGQSA-N	1	1	431.539	5.159	10	30		IKEEMO
C=C[C@@](C)(O)C[N@H+](Cc1nc(=O)c2c(-c3ccccc3C)csc2[nH]1)C1CCCCC1	ZINC000036205787	519299073	/nfs/dbraw/zinc/29/90/73/519299073.db2.gz	DXAVMHZQDFQPMF-RUZDIDTESA-N	1	1	437.609	5.032	10	30		IKEEMO
C#CC[N@@H+]1CCC2=C(C1)c1c(O)cc([C@@H](C)CCCc3ccc(F)cc3)cc1OC2(C)C	ZINC000013455612	562987641	/nfs/dbraw/zinc/98/76/41/562987641.db2.gz	UIDOJGIFVOOMLY-IBGZPJMESA-N	1	1	433.567	5.921	10	30		IKEEMO
C#CC[N@H+]1CCC2=C(C1)c1c(O)cc([C@@H](C)CCCc3ccc(F)cc3)cc1OC2(C)C	ZINC000013455612	562987642	/nfs/dbraw/zinc/98/76/42/562987642.db2.gz	UIDOJGIFVOOMLY-IBGZPJMESA-N	1	1	433.567	5.921	10	30		IKEEMO
C#CC[N@@H+]1CCC2=C(C1)c1c(O)cc([C@H](C)CCCc3ccc(F)cc3)cc1OC2(C)C	ZINC000013455616	562987614	/nfs/dbraw/zinc/98/76/14/562987614.db2.gz	UIDOJGIFVOOMLY-LJQANCHMSA-N	1	1	433.567	5.921	10	30		IKEEMO
C#CC[N@H+]1CCC2=C(C1)c1c(O)cc([C@H](C)CCCc3ccc(F)cc3)cc1OC2(C)C	ZINC000013455616	562987615	/nfs/dbraw/zinc/98/76/15/562987615.db2.gz	UIDOJGIFVOOMLY-LJQANCHMSA-N	1	1	433.567	5.921	10	30		IKEEMO
C=C([C@H]1C[C@]23CC[C@]1(OC)[C@@H]1Oc4c5c(ccc4O)C[C@H]2[N@H+](CC2CC2)CC[C@]513)C(C)(C)C	ZINC000077286672	518654911	/nfs/dbraw/zinc/65/49/11/518654911.db2.gz	LONIMXCUBDTSNU-MHZLKSCOSA-N	1	1	449.635	5.219	10	30	in-vitro	IKEEMO
C=C[C@](C)(O)C[N@H+](Cc1nc(=O)c2c(-c3ccccc3C)csc2[nH]1)C1CCCCC1	ZINC000036205790	519304780	/nfs/dbraw/zinc/30/47/80/519304780.db2.gz	DXAVMHZQDFQPMF-VWLOTQADSA-N	1	1	437.609	5.032	10	30		IKEEMO