smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(CC[N@@H+]2CCC[C@H](C[NH+](C)Cc3ccc(OC)cc3O)C2)cc1	ZINC000011754026	204352102	/nfs/dbraw/zinc/35/21/02/204352102.db2.gz	BRSWGPNEVYKSIC-HXUWFJFHSA-N	2	0	398.547	3.796	50	10		GHCARP
COc1ccc(CC[N@@H+](Cc2c(O)cccc2OC)CC2CC[NH+](C)CC2)cc1	ZINC000012442107	570664830	/nfs/dbraw/zinc/66/48/30/570664830.db2.gz	XGECCFBJXOTJKX-UHFFFAOYSA-N	2	0	398.547	3.796	50	10		GHCARP
COc1ccc(O)c(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](CCc2ccccc2)C3)c1	ZINC000011818818	204355303	/nfs/dbraw/zinc/35/53/03/204355303.db2.gz	OEAGANQWIXJXEC-DEOSSOPVSA-N	2	0	380.532	3.931	50	10		GHCARP
COc1ccc(O)c(C[N@H+](C)CC2CC[NH+](CCc3cccc(F)c3)CC2)c1	ZINC000012431561	570659688	/nfs/dbraw/zinc/65/96/88/570659688.db2.gz	NCHCWGQDFPHLEN-UHFFFAOYSA-N	2	0	386.511	3.926	50	10		GHCARP
COc1cccc(C[N@H+](C)C[C@@H]2CCC[NH+](CCc3ccc(F)cc3)C2)c1O	ZINC000011838577	858959789	/nfs/dbraw/zinc/95/97/89/858959789.db2.gz	YPZJHCDEJFVXIO-IBGZPJMESA-N	2	0	386.511	3.926	50	10		GHCARP
COc1ccc(O)c(C[N@@H+]2CC[C@]3(C2)CCC[NH+](CCc2ccccc2)C3)c1	ZINC000011818817	204354880	/nfs/dbraw/zinc/35/48/80/204354880.db2.gz	OEAGANQWIXJXEC-XMMPIXPASA-N	2	0	380.532	3.931	50	10		GHCARP
COc1cccc(C[N@H+](C)C[C@H]2CCC[NH+](CCc3ccc(F)cc3)C2)c1O	ZINC000011838579	858959847	/nfs/dbraw/zinc/95/98/47/858959847.db2.gz	YPZJHCDEJFVXIO-LJQANCHMSA-N	2	0	386.511	3.926	50	10		GHCARP
COc1ccc(C[N@H+](C)C[C@@H]2CCC[NH+](CCc3ccc(F)cc3)C2)c(O)c1	ZINC000011844403	857581439	/nfs/dbraw/zinc/58/14/39/857581439.db2.gz	MAVFNTMNDCBJRJ-IBGZPJMESA-N	2	0	386.511	3.926	50	10		GHCARP
Cc1nccn1-c1ccc([C@H](C)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)cc1	ZINC000095459051	136179319	/nfs/dbraw/zinc/17/93/19/136179319.db2.gz	WWDJBKVZVTWRLB-IBGZPJMESA-N	2	0	389.547	3.783	50	10		GHCARP
COc1ccc(CC[N@@H+]2CCC[C@@H](C[NH+](C)Cc3ccc(OC)cc3O)C2)cc1	ZINC000011754025	570433109	/nfs/dbraw/zinc/43/31/09/570433109.db2.gz	BRSWGPNEVYKSIC-FQEVSTJZSA-N	2	0	398.547	3.796	50	10		GHCARP
Cc1nccn1-c1ccc([C@@H](C)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)cc1	ZINC000095459050	136179225	/nfs/dbraw/zinc/17/92/25/136179225.db2.gz	WWDJBKVZVTWRLB-LJQANCHMSA-N	2	0	389.547	3.783	50	10		GHCARP
COc1ccc(CC[NH+]2CCC(C[N@H+](C)Cc3cc(OC)ccc3O)CC2)cc1	ZINC000015065343	210145701	/nfs/dbraw/zinc/14/57/01/210145701.db2.gz	YBXJYARVDNISID-UHFFFAOYSA-N	2	0	398.547	3.796	50	10		GHCARP
COc1ccc(O)c(C[N@H+](C)CC2CC[NH+](CCc3ccccc3F)CC2)c1	ZINC000012429285	862323272	/nfs/dbraw/zinc/32/32/72/862323272.db2.gz	ZJTFQFBSNOVULI-UHFFFAOYSA-N	2	0	386.511	3.926	50	10		GHCARP
COc1ccc(C[N@H+](C)C[C@H]2CCC[NH+](CCc3ccc(F)cc3)C2)c(O)c1	ZINC000011844404	857581469	/nfs/dbraw/zinc/58/14/69/857581469.db2.gz	MAVFNTMNDCBJRJ-LJQANCHMSA-N	2	0	386.511	3.926	50	10		GHCARP
COc1cccc(O)c1C[N@H+](C)CC1CC[NH+](CCc2cccc(F)c2)CC1	ZINC000011879852	221134538	/nfs/dbraw/zinc/13/45/38/221134538.db2.gz	CBZFNRHYODWMPM-UHFFFAOYSA-N	2	0	386.511	3.926	50	10		GHCARP
CCN1c2ccccc2SC1=Cc1cc(C)[n+](CCN2CC[NH2+]CC2)c(C)c1	ZINC000022035786	570302775	/nfs/dbraw/zinc/30/27/75/570302775.db2.gz	FPPVQJFRTYJDKZ-UHFFFAOYSA-N	2	0	395.596	3.621	50	10		GHCARP
COCC[N@@H+](Cc1ccccc1O)CC1CC[NH+](Cc2ccccc2F)CC1	ZINC000012431876	221193809	/nfs/dbraw/zinc/19/38/09/221193809.db2.gz	WFBIDYGKMYBYIF-UHFFFAOYSA-N	2	0	386.511	3.892	50	10		GHCARP
COc1ccc(CC[NH+]2CCC(C[N@H+](C)Cc3c(O)cccc3OC)CC2)cc1	ZINC000012075058	221147939	/nfs/dbraw/zinc/14/79/39/221147939.db2.gz	FRPZEFISGYGTCV-UHFFFAOYSA-N	2	0	398.547	3.796	50	10		GHCARP
COc1ccc(CC[N@@H+](Cc2cccc(OC)c2O)CC2CC[NH+](C)CC2)cc1	ZINC000014977175	221324032	/nfs/dbraw/zinc/32/40/32/221324032.db2.gz	FQCUSVDMJNFKEP-UHFFFAOYSA-N	2	0	398.547	3.796	50	10		GHCARP