smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCc2ccc(N(C)C)cc2)CC1	ZINC000785422575	1079193520	/nfs/dbraw/zinc/19/35/20/1079193520.db2.gz	NNAHRHQIVYTUIQ-UHFFFAOYSA-N	0	3	403.527	0.381	20	10		HCCDHN
CN(C)c1ccc(CNC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)cc1	ZINC000785434015	1079434365	/nfs/dbraw/zinc/43/43/65/1079434365.db2.gz	RROFLQAZGNBSOX-UHFFFAOYSA-N	0	3	401.511	0.135	20	10		HCCDHN
CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)NCc1ccc(N(C)C)cc1	ZINC000785438283	1079566017	/nfs/dbraw/zinc/56/60/17/1079566017.db2.gz	BOMHBSUKRRCWAV-GOSISDBHSA-N	0	3	403.527	0.428	20	10		HCCDHN
CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)NCc1ccc(N(C)C)cc1	ZINC000785438285	1079565829	/nfs/dbraw/zinc/56/58/29/1079565829.db2.gz	BOMHBSUKRRCWAV-SFHVURJKSA-N	0	3	403.527	0.428	20	10		HCCDHN
CN(C)c1ccc(CNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)cc1	ZINC000785442217	1080033881	/nfs/dbraw/zinc/03/38/81/1080033881.db2.gz	IUZWCQOCRWYEAS-GOSISDBHSA-N	0	3	401.511	0.134	20	10		HCCDHN
CN(C)c1ccc(CNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)cc1	ZINC000785442219	1080033837	/nfs/dbraw/zinc/03/38/37/1080033837.db2.gz	IUZWCQOCRWYEAS-SFHVURJKSA-N	0	3	401.511	0.134	20	10		HCCDHN
COc1ccc(N2CCN(C(=O)CSc3nnnn3CCN(C)C)CC2)cc1	ZINC000916702958	1078133904	/nfs/dbraw/zinc/13/39/04/1078133904.db2.gz	LNBGYPZPAANPBU-UHFFFAOYSA-N	0	3	405.528	0.684	20	10		HCCDHN
CCN1CCN(CC(=O)NCCCN2CCN(c3ccc(OC)cc3)CC2)CC1	ZINC000916972495	1078181193	/nfs/dbraw/zinc/18/11/93/1078181193.db2.gz	XIROBYVWVKKIAO-UHFFFAOYSA-N	0	3	403.571	0.961	20	10		HCCDHN
CN(C)CCn1nnnc1SCC(=O)NCc1ccc(N2CCOCC2)c(F)c1	ZINC000917227445	1078249121	/nfs/dbraw/zinc/24/91/21/1078249121.db2.gz	SPXISFYHTXELJC-UHFFFAOYSA-N	0	3	423.518	0.619	20	10		HCCDHN
CCOC(=O)c1cnn2c1[nH]c(CN1C[C@@H](C(=O)NCCOC)CC[C@@H]1C)cc2=O	ZINC000920089403	1079101612	/nfs/dbraw/zinc/10/16/12/1079101612.db2.gz	AGQGLVKSXKKJHY-KBPBESRZSA-N	0	3	419.482	0.975	20	10		HCCDHN
CCOC(=O)c1cnn2c1[nH]c(CN1C[C@@H](C(=O)NCCOC)CC[C@H]1C)cc2=O	ZINC000920089407	1079101641	/nfs/dbraw/zinc/10/16/41/1079101641.db2.gz	AGQGLVKSXKKJHY-KGLIPLIRSA-N	0	3	419.482	0.975	20	10		HCCDHN
CCOC(=O)c1cnn2c1[nH]c(CN1C[C@H](C(=O)NCCOC)CC[C@@H]1C)cc2=O	ZINC000920089411	1079101554	/nfs/dbraw/zinc/10/15/54/1079101554.db2.gz	AGQGLVKSXKKJHY-UONOGXRCSA-N	0	3	419.482	0.975	20	10		HCCDHN
CCOC(=O)c1cnn2c1[nH]c(CN1C[C@H](C(=O)NCCOC)CC[C@H]1C)cc2=O	ZINC000920089417	1079101621	/nfs/dbraw/zinc/10/16/21/1079101621.db2.gz	AGQGLVKSXKKJHY-ZIAGYGMSSA-N	0	3	419.482	0.975	20	10		HCCDHN
COC(=O)C1CC[NH+](CCCNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC1	ZINC000920451745	1079161575	/nfs/dbraw/zinc/16/15/75/1079161575.db2.gz	RUNXCHOJWXXDBF-UHFFFAOYSA-N	0	3	413.496	0.769	20	10		HCCDHN