smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1noc(C)c1CN1CCO[C@@H]2CN(c3ncccc3NC(=O)CCl)C[C@@H]21	ZINC001164942251	721955220	/nfs/dbraw/zinc/95/52/20/721955220.db2.gz	DNVIWVDJDJYSLI-DLBZAZTESA-N	0	0	405.886	1.953	20	50		HDGDRN
Cc1noc(C)c1CN1CCO[C@@H]2CN(c3ccc(NC(=O)CCl)cn3)C[C@H]21	ZINC001164941755	721961520	/nfs/dbraw/zinc/96/15/20/721961520.db2.gz	BXPMIZMXIQAMMT-IAGOWNOFSA-N	0	0	405.886	1.953	20	50		HDGDRN
COC(=O)[C@@]1(C)C[C@@H](N2CCOCC2)CCN1c1ncccc1NC(=O)CCl	ZINC001164707226	719866598	/nfs/dbraw/zinc/86/65/98/719866598.db2.gz	RLZKXBOUHFSMMN-IFXJQAMLSA-N	0	0	410.902	1.492	20	50		HDGDRN
COC(=O)[C@@]1(C)C[C@H](N2CCOCC2)CCN1c1ncccc1NC(=O)CCl	ZINC001164707225	719866533	/nfs/dbraw/zinc/86/65/33/719866533.db2.gz	RLZKXBOUHFSMMN-AUUYWEPGSA-N	0	0	410.902	1.492	20	50		HDGDRN
Cn1ccc(CN2CCOCC23CCN(c2ncccc2NC(=O)CCl)CC3)n1	ZINC001164936238	721907814	/nfs/dbraw/zinc/90/78/14/721907814.db2.gz	OASXFHCTWDTUIW-UHFFFAOYSA-N	0	0	418.929	1.864	20	50		HDGDRN
Cc1noc(C)c1CN1CCO[C@H]2CN(c3ccc(NC(=O)CCl)cn3)C[C@H]21	ZINC001164941757	721961291	/nfs/dbraw/zinc/96/12/91/721961291.db2.gz	BXPMIZMXIQAMMT-SJORKVTESA-N	0	0	405.886	1.953	20	50		HDGDRN
Cc1noc(C)c1CN1CCO[C@H]2CN(c3ccc(NC(=O)CCl)cn3)C[C@@H]21	ZINC001164941756	721961440	/nfs/dbraw/zinc/96/14/40/721961440.db2.gz	BXPMIZMXIQAMMT-IRXDYDNUSA-N	0	0	405.886	1.953	20	50		HDGDRN
CN1CCN(c2ncnc3c2CCN(c2ccc(NC(=O)CCl)cn2)CC3)CC1	ZINC001165001473	722239040	/nfs/dbraw/zinc/23/90/40/722239040.db2.gz	GFOFFQPZANQUMJ-UHFFFAOYSA-N	0	0	415.929	1.406	20	50		HDGDRN
Cn1ccc(CN2CCOCC23CCN(c2ccc(NC(=O)CCl)cn2)CC3)n1	ZINC001164936528	721909166	/nfs/dbraw/zinc/90/91/66/721909166.db2.gz	WZHJOPVTASTGDD-UHFFFAOYSA-N	0	0	418.929	1.864	20	50		HDGDRN
CN1CCN(c2ncnc3c2CCN(c2ncccc2NC(=O)CCl)CC3)CC1	ZINC001165001514	722237051	/nfs/dbraw/zinc/23/70/51/722237051.db2.gz	HZDQJDSQGZLTPX-UHFFFAOYSA-N	0	0	415.929	1.406	20	50		HDGDRN
Cc1noc(C)c1CN1CCO[C@H]2CN(c3ncccc3NC(=O)CCl)C[C@H]21	ZINC001164942259	721955058	/nfs/dbraw/zinc/95/50/58/721955058.db2.gz	DNVIWVDJDJYSLI-SJORKVTESA-N	0	0	405.886	1.953	20	50		HDGDRN
N#CCCN1CCN(c2nc(Cl)nc3c2CN(C(=O)OCCCl)CC3)CC1	ZINC001165056466	722022820	/nfs/dbraw/zinc/02/28/20/722022820.db2.gz	WNSHSSQKRZNBPY-UHFFFAOYSA-N	0	0	413.309	1.899	20	50		HDGDRN
COc1cc(OC)nc(CN2CCN(c3ccc(NC(=O)CCl)cn3)CC2)n1	ZINC001165030816	721851197	/nfs/dbraw/zinc/85/11/97/721851197.db2.gz	YKRSKSBYPGRRIW-UHFFFAOYSA-N	0	0	406.874	1.388	20	50		HDGDRN
Cc1noc(C)c1CN1CCO[C@@H]2CN(c3ncccc3NC(=O)CCl)C[C@H]21	ZINC001164942253	721955048	/nfs/dbraw/zinc/95/50/48/721955048.db2.gz	DNVIWVDJDJYSLI-IAGOWNOFSA-N	0	0	405.886	1.953	20	50		HDGDRN
Cc1noc(C)c1CN1CCO[C@H]2CN(c3ncccc3NC(=O)CCl)C[C@@H]21	ZINC001164942256	721955236	/nfs/dbraw/zinc/95/52/36/721955236.db2.gz	DNVIWVDJDJYSLI-IRXDYDNUSA-N	0	0	405.886	1.953	20	50		HDGDRN
COC(=O)[C@@]1(C)C[C@H](N2CCOCC2)CCN1c1ccc(NC(=O)CCl)cn1	ZINC001164701736	719875657	/nfs/dbraw/zinc/87/56/57/719875657.db2.gz	HCMYDGBPXSTSLM-DNVCBOLYSA-N	0	0	410.902	1.492	20	50		HDGDRN
COCCN1CCN(C)C2(CCN(c3ncccc3NC(=O)CCl)CC2)C1=O	ZINC001164640939	719279871	/nfs/dbraw/zinc/27/98/71/719279871.db2.gz	QWXZLVMOEGDLDM-UHFFFAOYSA-N	0	0	409.918	1.018	20	50		HDGDRN
COC(=O)[C@]1(C)C[C@@H](N2CCOCC2)CCN1c1ncccc1NC(=O)CCl	ZINC001164707228	719866558	/nfs/dbraw/zinc/86/65/58/719866558.db2.gz	RLZKXBOUHFSMMN-LIRRHRJNSA-N	0	0	410.902	1.492	20	50		HDGDRN
COC(=O)[C@]1(C)C[C@H](N2CCOCC2)CCN1c1ncccc1NC(=O)CCl	ZINC001164707227	719866482	/nfs/dbraw/zinc/86/64/82/719866482.db2.gz	RLZKXBOUHFSMMN-KUHUBIRLSA-N	0	0	410.902	1.492	20	50		HDGDRN
COC(=O)[C@]1(C)C[C@H](N2CCOCC2)CCN1c1ccc(NC(=O)CCl)cn1	ZINC001164701735	719875557	/nfs/dbraw/zinc/87/55/57/719875557.db2.gz	HCMYDGBPXSTSLM-BEFAXECRSA-N	0	0	410.902	1.492	20	50		HDGDRN
COC(=O)[C@]1(C)C[C@@H](N2CCOCC2)CCN1c1ccc(NC(=O)CCl)cn1	ZINC001164701739	719875712	/nfs/dbraw/zinc/87/57/12/719875712.db2.gz	HCMYDGBPXSTSLM-KXBFYZLASA-N	0	0	410.902	1.492	20	50		HDGDRN
COC(=O)[C@@]1(C)C[C@@H](N2CCOCC2)CCN1c1ccc(NC(=O)CCl)cn1	ZINC001164701737	719875788	/nfs/dbraw/zinc/87/57/88/719875788.db2.gz	HCMYDGBPXSTSLM-HNAYVOBHSA-N	0	0	410.902	1.492	20	50		HDGDRN
COc1cc(OC)nc(CN2CCN(c3ncccc3NC(=O)CCl)CC2)n1	ZINC001165030766	721850036	/nfs/dbraw/zinc/85/00/36/721850036.db2.gz	WEANKHHVDFGMPZ-UHFFFAOYSA-N	0	0	406.874	1.388	20	50		HDGDRN
Cc1noc(C)c1CN1CCO[C@@H]2CN(c3ccc(NC(=O)CCl)cn3)C[C@@H]21	ZINC001164941754	721961368	/nfs/dbraw/zinc/96/13/68/721961368.db2.gz	BXPMIZMXIQAMMT-DLBZAZTESA-N	0	0	405.886	1.953	20	50		HDGDRN
COCCN1CCN(C)C2(CCN(c3ccc(NC(=O)CCl)cn3)CC2)C1=O	ZINC001164644287	719282976	/nfs/dbraw/zinc/28/29/76/719282976.db2.gz	GYIRNFNPMNFFPQ-UHFFFAOYSA-N	0	0	409.918	1.018	20	50		HDGDRN