smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(CN[C@@H]2C[C@@H](O)CN(C(=O)OC(C)(C)C)C[C@H]2O)ccc1OCCC[NH+](C)C	ZINC000257219783	570114037	/nfs/dbraw/zinc/11/40/37/570114037.db2.gz	DICJNUXJWCVOFQ-VAMGGRTRSA-N	1	3	467.607	1.847	40	0		JDABHO
CC(C)(C)C1CCN([C@@H]2[C@@H](O)[C@H](Oc3cccc(F)c3)C[C@H]2NC(=O)c2cn(CC[NH3+])nn2)CC1	ZINC000257208557	570110489	/nfs/dbraw/zinc/11/04/89/570110489.db2.gz	BMQPSSRXDWLXBE-LGKPFJOYSA-N	1	3	488.608	1.813	40	0		JDABHO
C[NH+]1CCC(NC[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2N2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1	ZINC000020465471	523778134	/nfs/dbraw/zinc/77/81/34/523778134.db2.gz	HUYWKBIDISEXKX-CLAROIROSA-N	1	3	472.552	1.000	40	0	biogenic,in-vitro	JDABHO
COc1cc(CN2CC[C@@](O)(CN3CCC(NC(C)=O)CC3)C2)ccc1OCCC[NH+](C)C	ZINC000257213287	570112060	/nfs/dbraw/zinc/11/20/60/570112060.db2.gz	CGXIIGMBPWLLKF-RUZDIDTESA-N	1	3	462.635	1.563	40	0		JDABHO
COc1cc(CN[C@@H]2C[C@@H](O)CN(C(=O)OC(C)(C)C)C[C@H]2O)ccc1OCC[NH+](C)C	ZINC000257274585	570131040	/nfs/dbraw/zinc/13/10/40/570131040.db2.gz	NLSTYIVYNVWWOA-GUDVDZBRSA-N	1	3	453.580	1.456	40	0		JDABHO
CC(C)(C)C1CCN([C@@H]2[C@@H](O)[C@H](Oc3ccccc3F)C[C@H]2NC(=O)c2cn(CC[NH3+])nn2)CC1	ZINC000257294983	570136904	/nfs/dbraw/zinc/13/69/04/570136904.db2.gz	QWMWNEQZOUIYCE-QQUTXWOLSA-N	1	3	488.608	1.813	40	0		JDABHO
COc1cc(CN2CC[C@](O)(CN3CCC(NC(C)=O)CC3)C2)ccc1OCCC[NH+](C)C	ZINC000257213288	570112007	/nfs/dbraw/zinc/11/20/07/570112007.db2.gz	CGXIIGMBPWLLKF-VWLOTQADSA-N	1	3	462.635	1.563	40	0		JDABHO
COc1ccc(CC[NH3+])cc1CN1CCC2(CC1)C[C@](C)(O)[C@@H](n1ccc(=O)[nH]c1=O)CO2	ZINC000257268646	570129143	/nfs/dbraw/zinc/12/91/43/570129143.db2.gz	MMOOLLDDLCVAJA-REWPJTCUSA-N	1	3	458.559	1.206	40	0		JDABHO