smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nc1ccc(CC(=O)NCCC[NH+]2CCOCC2)cc1	ZINC000037393534	173173961	/nfs/dbraw/zinc/17/39/61/173173961.db2.gz	OTWLGKOSLOWQEY-UHFFFAOYSA-N	1	1	277.368	0.650	40	10		CCCBMO
Cc1cc(C)c(O)c(C[N@H+](C)Cn2c(=O)cc[nH]c2=O)c1	ZINC000001569515	347957319	/nfs/dbraw/zinc/95/73/19/347957319.db2.gz	BKSIGDPJNKXHKN-UHFFFAOYSA-N	1	1	289.335	0.949	40	10		CCCBMO
Cc1cc(C)c(O)c(C[N@@H+](C)Cn2c(=O)cc[nH]c2=O)c1	ZINC000001569515	347957323	/nfs/dbraw/zinc/95/73/23/347957323.db2.gz	BKSIGDPJNKXHKN-UHFFFAOYSA-N	1	1	289.335	0.949	40	10		CCCBMO
COc1ccc2c(c1O)C[N@H+]1CCC(=O)C[C@@H]1[C@@H]2O	ZINC000024717604	388810621	/nfs/dbraw/zinc/81/06/21/388810621.db2.gz	KKEILHMWZAIWRB-DGCLKSJQSA-N	1	1	263.293	0.981	40	10		CCCBMO
COc1ccc2c(c1O)C[N@@H+]1CCC(=O)C[C@@H]1[C@@H]2O	ZINC000024717604	388810622	/nfs/dbraw/zinc/81/06/22/388810622.db2.gz	KKEILHMWZAIWRB-DGCLKSJQSA-N	1	1	263.293	0.981	40	10		CCCBMO
C[C@@H](O)CNCC[NH2+]Cc1ccc(N(C)C)cc1	ZINC000022076645	171352582	/nfs/dbraw/zinc/35/25/82/171352582.db2.gz	ALSTURCCSCBYFA-GFCCVEGCSA-N	1	1	251.374	0.813	40	10		CCCBMO
CN(C)c1ccc(C[N@H+]2CCOC[C@H](O)C2)cc1	ZINC000077266041	177247467	/nfs/dbraw/zinc/24/74/67/177247467.db2.gz	CBJNVCVHYMELHE-CQSZACIVSA-N	1	1	250.342	0.946	40	10	biogenic,in-vitro	CCCBMO
C[C@@H](c1c2c(ccc1O)C(=O)CO2)N1CC[NH2+]CC1	ZINC000256049982	544934084	/nfs/dbraw/zinc/93/40/84/544934084.db2.gz	CDCFNOLQFQBMIH-VIFPVBQESA-N	1	1	262.309	0.934	40	10		CCCBMO
COc1ccc2c(c1O)C[N@H+]1CCC(=O)C[C@@H]1[C@H]2O	ZINC000013407295	348026412	/nfs/dbraw/zinc/02/64/12/348026412.db2.gz	KKEILHMWZAIWRB-YPMHNXCESA-N	1	1	263.293	0.981	40	10		CCCBMO
COc1ccc2c(c1O)C[N@@H+]1CCC(=O)C[C@@H]1[C@H]2O	ZINC000013407295	348026414	/nfs/dbraw/zinc/02/64/14/348026414.db2.gz	KKEILHMWZAIWRB-YPMHNXCESA-N	1	1	263.293	0.981	40	10		CCCBMO
C[C@H](c1c2c(ccc1O)C(=O)CO2)N1CC[NH2+]CC1	ZINC000256049981	544934014	/nfs/dbraw/zinc/93/40/14/544934014.db2.gz	CDCFNOLQFQBMIH-SECBINFHSA-N	1	1	262.309	0.934	40	10		CCCBMO
CC[NH+]1CCN(C(=O)COc2ccc(N)cc2)CC1	ZINC000040293260	174222193	/nfs/dbraw/zinc/22/21/93/174222193.db2.gz	NYZCMRRVWWITTI-UHFFFAOYSA-N	1	1	263.341	0.812	40	10		CCCBMO
COc1ccc2c(c1O)C[N@H+]1CCC(=O)C[C@H]1[C@H]2O	ZINC000013407290	348025963	/nfs/dbraw/zinc/02/59/63/348025963.db2.gz	KKEILHMWZAIWRB-AAEUAGOBSA-N	1	1	263.293	0.981	40	10		CCCBMO
COc1ccc2c(c1O)C[N@@H+]1CCC(=O)C[C@H]1[C@H]2O	ZINC000013407290	348025966	/nfs/dbraw/zinc/02/59/66/348025966.db2.gz	KKEILHMWZAIWRB-AAEUAGOBSA-N	1	1	263.293	0.981	40	10		CCCBMO
C[C@H](O)CNCC[NH2+]Cc1ccc(N(C)C)cc1	ZINC000022076647	171352594	/nfs/dbraw/zinc/35/25/94/171352594.db2.gz	ALSTURCCSCBYFA-LBPRGKRZSA-N	1	1	251.374	0.813	40	10		CCCBMO
COc1ccc2c(c1O)C[N@H+]1CCC(=O)C[C@H]1[C@@H]2O	ZINC000024717598	388810295	/nfs/dbraw/zinc/81/02/95/388810295.db2.gz	KKEILHMWZAIWRB-WCQYABFASA-N	1	1	263.293	0.981	40	10		CCCBMO
COc1ccc2c(c1O)C[N@@H+]1CCC(=O)C[C@H]1[C@@H]2O	ZINC000024717598	388810299	/nfs/dbraw/zinc/81/02/99/388810299.db2.gz	KKEILHMWZAIWRB-WCQYABFASA-N	1	1	263.293	0.981	40	10		CCCBMO
C[N@H+](Cc1ccc(N)cc1)[C@H]1CCS(=O)(=O)C1	ZINC000032108337	348130180	/nfs/dbraw/zinc/13/01/80/348130180.db2.gz	GZKJYDOXDGBLLO-LBPRGKRZSA-N	1	1	254.355	0.888	40	10		CCCBMO
C[N@@H+](Cc1ccc(N)cc1)[C@H]1CCS(=O)(=O)C1	ZINC000032108337	348130183	/nfs/dbraw/zinc/13/01/83/348130183.db2.gz	GZKJYDOXDGBLLO-LBPRGKRZSA-N	1	1	254.355	0.888	40	10		CCCBMO
C[C@]1([NH2+]CCNCc2ccc(N)cc2)CCS(=O)(=O)C1	ZINC000575420105	390839788	/nfs/dbraw/zinc/83/97/88/390839788.db2.gz	FUZYPIIFEIJIKK-AWEZNQCLSA-N	1	1	297.424	0.525	40	10		CCCBMO
CCN1C(=O)/C(=C/N2CC[NH+](C)CC2)SC1=S	ZINC000035877054	388837948	/nfs/dbraw/zinc/83/79/48/388837948.db2.gz	KBEYYNMHHDIIHQ-HJWRWDBZSA-N	1	1	271.411	0.955	40	10		CCCBMO
C[C@@]1([NH2+]CCNCc2ccc(N)cc2)CCS(=O)(=O)C1	ZINC000575420106	390839627	/nfs/dbraw/zinc/83/96/27/390839627.db2.gz	FUZYPIIFEIJIKK-CQSZACIVSA-N	1	1	297.424	0.525	40	10		CCCBMO
C[N@H+](Cc1ccc(N)cc1)[C@@H]1CCS(=O)(=O)C1	ZINC000032108336	348130161	/nfs/dbraw/zinc/13/01/61/348130161.db2.gz	GZKJYDOXDGBLLO-GFCCVEGCSA-N	1	1	254.355	0.888	40	10		CCCBMO
C[N@@H+](Cc1ccc(N)cc1)[C@@H]1CCS(=O)(=O)C1	ZINC000032108336	348130164	/nfs/dbraw/zinc/13/01/64/348130164.db2.gz	GZKJYDOXDGBLLO-GFCCVEGCSA-N	1	1	254.355	0.888	40	10		CCCBMO