smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(CCN2C(=O)NC(=O)C(=CNCCC[NH+](C)C)C2=O)cc1OC	ZINC000001828137	569056271	/nfs/dbraw/zinc/05/62/71/569056271.db2.gz	FFGIRUSSEVGZKZ-SQFISAMPSA-N	1	1	404.467	0.750	50	10		HCCAMO
COc1cc(N2C(=O)C(=CNCC[NH+](C)C)C(=O)NC2=S)cc(OC)c1OC	ZINC000002303497	132251956	/nfs/dbraw/zinc/25/19/56/132251956.db2.gz	SXDBZYYBNNSEKN-ZRDIBKRKSA-N	1	1	408.480	0.495	50	10		HCCAMO
CCOc1ccc(N2C(=O)C(=CNCCN3CC[NH2+]CC3)C(=O)NC2=S)cc1	ZINC000019994834	558317478	/nfs/dbraw/zinc/31/74/78/558317478.db2.gz	VBZFVTIZRIDPRP-DTQAZKPQSA-N	1	1	403.508	0.212	50	10		HCCAMO
CC(C)c1ccc(N2C(=O)C(=CNCCN3CC[NH2+]CC3)C(=O)NC2=S)cc1	ZINC000019994875	558317517	/nfs/dbraw/zinc/31/75/17/558317517.db2.gz	XKXKUXQAQXSAEV-GHRIWEEISA-N	1	1	401.536	0.936	50	10		HCCAMO
COc1c2c(cc3c1[C@@H](CNC=C1C(=O)NC(=S)N(C)C1=O)[N@@H+](C)CC3)OCO2	ZINC000020412184	568605510	/nfs/dbraw/zinc/60/55/10/568605510.db2.gz	DVAHYNACRKHJMN-YTRUQHMWSA-N	1	1	418.475	0.300	50	10	biogenic	HCCAMO
COc1c2c(cc3c1[C@@H](CNC=C1C(=O)NC(=S)N(C)C1=O)[N@H+](C)CC3)OCO2	ZINC000020412184	568605508	/nfs/dbraw/zinc/60/55/08/568605508.db2.gz	DVAHYNACRKHJMN-YTRUQHMWSA-N	1	1	418.475	0.300	50	10	biogenic	HCCAMO
COc1ccc(C[N@@H+]2CCc3nnc(CCNC(=O)[C@@H]4CCCO4)n3CC2)c(O)c1	ZINC000020906756	558420960	/nfs/dbraw/zinc/42/09/60/558420960.db2.gz	HTVNDZXYYVPROS-SFHVURJKSA-N	1	1	415.494	0.888	50	10		HCCAMO
COc1ccc(C[N@@H+]2CCc3nnc(CCNC(=O)[C@H]4CCCO4)n3CC2)c(O)c1	ZINC000020906758	558421116	/nfs/dbraw/zinc/42/11/16/558421116.db2.gz	HTVNDZXYYVPROS-GOSISDBHSA-N	1	1	415.494	0.888	50	10		HCCAMO
COc1c2c(cc3c1[C@H](CNC=C1C(=O)NC(=S)N(C)C1=O)[N@@H+](C)CC3)OCO2	ZINC000100757733	559264094	/nfs/dbraw/zinc/26/40/94/559264094.db2.gz	DVAHYNACRKHJMN-VNKGSWCUSA-N	1	1	418.475	0.300	50	10	biogenic	HCCAMO
COc1c2c(cc3c1[C@H](CNC=C1C(=O)NC(=S)N(C)C1=O)[N@H+](C)CC3)OCO2	ZINC000100757733	559264093	/nfs/dbraw/zinc/26/40/93/559264093.db2.gz	DVAHYNACRKHJMN-VNKGSWCUSA-N	1	1	418.475	0.300	50	10	biogenic	HCCAMO
COc1ccc(CCN2C(=O)NC(=O)C(=CNCCC[NH+](C)C)C2=O)cc1OC	ZINC000100929844	560763241	/nfs/dbraw/zinc/76/32/41/560763241.db2.gz	FFGIRUSSEVGZKZ-FYWRMAATSA-N	1	1	404.467	0.750	50	10		HCCAMO
NC(=[NH2+])NS(=O)(=O)c1ccc(N=CC2C(=O)OC3(CCCCC3)OC2=O)cc1	ZINC000101268500	560790881	/nfs/dbraw/zinc/79/08/81/560790881.db2.gz	KCBRSORSUFUYAX-UHFFFAOYSA-N	1	1	408.436	0.915	50	10		HCCAMO