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	557196301	/nfs/dbraw/zinc/19/63/01/557196301.db2.gz	DRPSCVHHBIGXSV-MSOLQXFVSA-N	1	1	446.548	1.547	50	70		IDIAMO
COc1cc2c(cc1OC)CN(Cc1cc(=O)c(O)c(CN3CC[NH+](C)CC3)o1)CC2	ZINC000217609567	569450076	/nfs/dbraw/zinc/45/00/76/569450076.db2.gz	GOVOJKNDFNXJOS-UHFFFAOYSA-N	1	1	429.517	1.668	50	70	biogenic	IDIAMO
COc1ccccc1CCN1C(=O)N[C@@H](CC(=O)NC[C@@H]2CCC[N@H+]3CCCC[C@H]23)C1=O	ZINC000217841648	569453996	/nfs/dbraw/zinc/45/39/96/569453996.db2.gz	WKQNWKGTQRCXER-SLFFLAALSA-N	1	1	442.560	1.929	50	70	biogenic	IDIAMO
CCOC(=O)c1ccc(N2C(=O)C[C@H]([N@@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)C2=O)cc1	ZINC000217671087	557172879	/nfs/dbraw/zinc/17/28/79/557172879.db2.gz	OMSNNICLCCDJLB-MJGOQNOKSA-N	1	1	427.501	1.830	50	70		IDIAMO
CCOC(=O)c1ccc(N2C(=O)C[C@H]([N@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)C2=O)cc1	ZINC000217671087	557172885	/nfs/dbraw/zinc/17/28/85/557172885.db2.gz	OMSNNICLCCDJLB-MJGOQNOKSA-N	1	1	427.501	1.830	50	70		IDIAMO
CC[N@H+]1CCC[C@@H]1CNC(=O)CC[C@@H]1NC(=O)N(Cc2ccc(OC)c(OC)c2)C1=O	ZINC000218213910	557182492	/nfs/dbraw/zinc/18/24/92/557182492.db2.gz	REEHNPYPCPJVNR-SJORKVTESA-N	1	1	432.521	1.505	50	70		IDIAMO
COc1ccc(CCN2C(=O)N[C@@H](CC(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)C2=O)cc1	ZINC000217644343	569450769	/nfs/dbraw/zinc/45/07/69/569450769.db2.gz	NZYNUBLWEHOQJT-SESVDKBCSA-N	1	1	442.560	1.929	50	70	biogenic	IDIAMO
COc1ccc(CN2C(=O)N[C@@H](CC(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)C2=O)cc1	ZINC000217779936	569453069	/nfs/dbraw/zinc/45/30/69/569453069.db2.gz	CSOJIBDUSPFKHQ-YSIASYRMSA-N	1	1	428.533	1.886	50	70	biogenic	IDIAMO
O=C(CC[C@@H]1NC(=O)N(Cc2ccco2)C1=O)N1CC[NH+](CCc2ccccn2)CC1	ZINC000218121835	557177180	/nfs/dbraw/zinc/17/71/80/557177180.db2.gz	VYNJZYRRWMAPRM-IBGZPJMESA-N	1	1	425.489	1.262	50	70		IDIAMO
CC[N@H+]1CCC[C@H]1CNC(=O)CC[C@@H]1NC(=O)N(Cc2ccc(OC)c(OC)c2)C1=O	ZINC000218213988	557182509	/nfs/dbraw/zinc/18/25/09/557182509.db2.gz	REEHNPYPCPJVNR-IRXDYDNUSA-N	1	1	432.521	1.505	50	70		IDIAMO
CC[N@H+]1CCC[C@H]1CNC(=O)C[C@@H]1NC(=O)N(CCc2ccc(OC)c(OC)c2)C1=O	ZINC000218278808	557187275	/nfs/dbraw/zinc/18/72/75/557187275.db2.gz	RUALSOWGHQKWFF-IRXDYDNUSA-N	1	1	432.521	1.157	50	70		IDIAMO
CS(=O)(=O)Nc1cccc2c1ccn2CC(=O)N1CC[NH+](CCc2ccncc2)CC1	ZINC000218228411	557183459	/nfs/dbraw/zinc/18/34/59/557183459.db2.gz	TXQOHBJWUNAZJK-UHFFFAOYSA-N	1	1	441.557	1.795	50	70		IDIAMO
CC[N@H+]1CCC[C@@H]1CNC(=O)C[C@@H]1NC(=O)N(CCc2ccc(OC)c(OC)c2)C1=O	ZINC000218278751	557187212	/nfs/dbraw/zinc/18/72/12/557187212.db2.gz	RUALSOWGHQKWFF-SJORKVTESA-N	1	1	432.521	1.157	50	70		IDIAMO
CC[N@H+]1CCC[C@H]1CNC(=O)CC[C@@H]1NC(=O)N(CCc2ccc(OC)c(OC)c2)C1=O	ZINC000218378634	557196236	/nfs/dbraw/zinc/19/62/36/557196236.db2.gz	DRPSCVHHBIGXSV-ROUUACIJSA-N	1	1	446.548	1.547	50	70		IDIAMO
O=C(C[C@@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O)NC[C@@H]1CCC[N@H+]2CCCC[C@H]12	ZINC000217762163	569452935	/nfs/dbraw/zinc/45/29/35/569452935.db2.gz	DDMXRBMHNURWSL-OKZBNKHCSA-N	1	1	442.516	1.607	50	70	biogenic	IDIAMO
O=C1Nc2ccc(F)cc2[C@]12[C@@H]1C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12	ZINC000217699633	557173167	/nfs/dbraw/zinc/17/31/67/557173167.db2.gz	HUDGZKHOKLTZCH-HZNUMKHLSA-N	1	1	435.411	1.986	50	70		IDIAMO
O=C1Nc2ccc(F)cc2[C@]12[C@@H]1C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12	ZINC000217699633	557173172	/nfs/dbraw/zinc/17/31/72/557173172.db2.gz	HUDGZKHOKLTZCH-HZNUMKHLSA-N	1	1	435.411	1.986	50	70		IDIAMO
COc1ccccc1CN1C(=O)N[C@@H](CC(=O)NC[C@@H]2CCC[N@H+]3CCCC[C@H]23)C1=O	ZINC000217789500	569453245	/nfs/dbraw/zinc/45/32/45/569453245.db2.gz	NYHOVKOIJQODJM-YTQUADARSA-N	1	1	428.533	1.886	50	70	biogenic	IDIAMO
COc1ccccc1N1CCN(Cc2cc(=O)c(O)c(CN3CC[NH+](C)CC3)o2)CC1	ZINC000218479287	568758664	/nfs/dbraw/zinc/75/86/64/568758664.db2.gz	WBSJDJUTCCSNHU-UHFFFAOYSA-N	1	1	428.533	1.424	50	70		IDIAMO