smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[N@@H+]1CCC[C@@H]1CNC(=O)CC[C@@H]1NC(=O)N(CCc2ccc(OC)c(OC)c2)C1=O	ZINC000218378545	557196298	/nfs/dbraw/zinc/19/62/98/557196298.db2.gz	DRPSCVHHBIGXSV-MSOLQXFVSA-N	1	0	446.548	1.547	50	70		IDIARO
COc1ccccc1CCN1C(=O)N[C@@H](CC(=O)NC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)C1=O	ZINC000217841648	569453995	/nfs/dbraw/zinc/45/39/95/569453995.db2.gz	WKQNWKGTQRCXER-SLFFLAALSA-N	1	0	442.560	1.929	50	70	biogenic	IDIARO
CC[N@@H+]1CCC[C@@H]1CNC(=O)CC[C@@H]1NC(=O)N(Cc2ccc(OC)c(OC)c2)C1=O	ZINC000218213910	557182487	/nfs/dbraw/zinc/18/24/87/557182487.db2.gz	REEHNPYPCPJVNR-SJORKVTESA-N	1	0	432.521	1.505	50	70		IDIARO
COc1ccc(CCN2C(=O)N[C@@H](CC(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)C2=O)cc1	ZINC000217644343	569450768	/nfs/dbraw/zinc/45/07/68/569450768.db2.gz	NZYNUBLWEHOQJT-SESVDKBCSA-N	1	0	442.560	1.929	50	70	biogenic	IDIARO
COc1ccc(CN2C(=O)N[C@@H](CC(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)C2=O)cc1	ZINC000217779936	569453068	/nfs/dbraw/zinc/45/30/68/569453068.db2.gz	CSOJIBDUSPFKHQ-YSIASYRMSA-N	1	0	428.533	1.886	50	70	biogenic	IDIARO
CC[N@@H+]1CCC[C@H]1CNC(=O)CC[C@@H]1NC(=O)N(Cc2ccc(OC)c(OC)c2)C1=O	ZINC000218213988	557182506	/nfs/dbraw/zinc/18/25/06/557182506.db2.gz	REEHNPYPCPJVNR-IRXDYDNUSA-N	1	0	432.521	1.505	50	70		IDIARO
CC[N@@H+]1CCC[C@H]1CNC(=O)C[C@@H]1NC(=O)N(CCc2ccc(OC)c(OC)c2)C1=O	ZINC000218278808	557187271	/nfs/dbraw/zinc/18/72/71/557187271.db2.gz	RUALSOWGHQKWFF-IRXDYDNUSA-N	1	0	432.521	1.157	50	70		IDIARO
CC[N@@H+]1CCC[C@@H]1CNC(=O)C[C@@H]1NC(=O)N(CCc2ccc(OC)c(OC)c2)C1=O	ZINC000218278751	557187207	/nfs/dbraw/zinc/18/72/07/557187207.db2.gz	RUALSOWGHQKWFF-SJORKVTESA-N	1	0	432.521	1.157	50	70		IDIARO
CC[N@@H+]1CCC[C@H]1CNC(=O)CC[C@@H]1NC(=O)N(CCc2ccc(OC)c(OC)c2)C1=O	ZINC000218378634	557196231	/nfs/dbraw/zinc/19/62/31/557196231.db2.gz	DRPSCVHHBIGXSV-ROUUACIJSA-N	1	0	446.548	1.547	50	70		IDIARO
CCOC(=O)CN1c2ccccc2[C@@]2([NH2+][C@H](C)[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]32)C1=O	ZINC000217628894	568883396	/nfs/dbraw/zinc/88/33/96/568883396.db2.gz	RXSJDMJKDUSMSN-KRCALCKTSA-N	1	0	447.491	1.585	50	70		IDIARO
O=C(C[C@@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O)NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12	ZINC000217762163	569452934	/nfs/dbraw/zinc/45/29/34/569452934.db2.gz	DDMXRBMHNURWSL-OKZBNKHCSA-N	1	0	442.516	1.607	50	70	biogenic	IDIARO
O=C1Nc2ccc(F)cc2[C@]12[C@@H]1C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]1[C@@H]1CCCN12	ZINC000217699633	557173153	/nfs/dbraw/zinc/17/31/53/557173153.db2.gz	HUDGZKHOKLTZCH-HZNUMKHLSA-N	1	0	435.411	1.986	50	70		IDIARO
COc1ccccc1CN1C(=O)N[C@@H](CC(=O)NC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)C1=O	ZINC000217789500	569453244	/nfs/dbraw/zinc/45/32/44/569453244.db2.gz	NYHOVKOIJQODJM-YTQUADARSA-N	1	0	428.533	1.886	50	70	biogenic	IDIARO
CCOC(=O)CN1c2ccccc2[C@@]2([NH2+][C@H](C)[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]32)C1=O	ZINC000217597156	568883145	/nfs/dbraw/zinc/88/31/45/568883145.db2.gz	KSXPGDMDBZILQH-CKHWXHELSA-N	1	0	433.464	1.589	50	70		IDIARO