smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
c1ccc(N2CCN(Cc3ccc4ccc5cccc6ccc3c4c56)CC2)nc1	ZINC000004987053	204100046	/nfs/dbraw/zinc/10/00/46/204100046.db2.gz	MUPULPDVTPYUQG-UHFFFAOYSA-N	0	3	377.491	5.301	50	5		GKBAHN
COc1ccc([C@@H]2CCCN2Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1	ZINC000015836925	570260936	/nfs/dbraw/zinc/26/09/36/570260936.db2.gz	RBVNERPDMZVXIP-FQEVSTJZSA-N	0	3	378.428	5.201	50	5		GKBAHN
CC(C)CN(Cc1cccn1Cc1ccc(F)cc1)Cc1cccc([N+](=O)[O-])c1	ZINC000004508853	570824346	/nfs/dbraw/zinc/82/43/46/570824346.db2.gz	INMLQTQSIULZDE-UHFFFAOYSA-N	0	3	395.478	5.242	50	5		GKBAHN
Cc1cccc(Cn2cccc2CN(Cc2ccc([N+](=O)[O-])cc2)CC(C)C)c1	ZINC000096299889	208304700	/nfs/dbraw/zinc/30/47/00/208304700.db2.gz	OPTZQIUAWJBMID-UHFFFAOYSA-N	0	3	391.515	5.411	50	5		GKBAHN
CC(C)c1ccc([C@@H](C)N[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1	ZINC000009504034	221083190	/nfs/dbraw/zinc/08/31/90/221083190.db2.gz	JGEAFRLMOWHHDJ-KGLIPLIRSA-N	0	3	389.883	5.049	50	5		GKBAHN
COc1ccc([C@H]2CCCN2Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1	ZINC000015836928	570260834	/nfs/dbraw/zinc/26/08/34/570260834.db2.gz	RBVNERPDMZVXIP-HXUWFJFHSA-N	0	3	378.428	5.201	50	5		GKBAHN
COc1cc2c(cc1OC)CN(Cc1c3ccccc3cc3ccccc31)CC2	ZINC000004988961	204099580	/nfs/dbraw/zinc/09/95/80/204099580.db2.gz	NVWJHNUBASNECN-UHFFFAOYSA-N	0	3	383.491	5.569	50	5		GKBAHN
CCOc1ccccc1N1CCN(Cc2c3ccccc3cc3ccccc32)CC1	ZINC000019632711	207143070	/nfs/dbraw/zinc/14/30/70/207143070.db2.gz	CMGYHISCPMDNAU-UHFFFAOYSA-N	0	3	396.534	5.714	50	5		GKBAHN
C(=C/c1ccccc1)\CN1CCN(Cc2c3ccccc3cc3ccccc32)CC1	ZINC000019633549	207143281	/nfs/dbraw/zinc/14/32/81/207143281.db2.gz	GEDZQGIWVINTMP-DHZHZOJOSA-N	0	3	392.546	5.824	50	5		GKBAHN
c1ccc(N2CCN(Cc3ccc4ccc5cccc6ccc3c4c56)CC2)cc1	ZINC000019632639	571022287	/nfs/dbraw/zinc/02/22/87/571022287.db2.gz	SONWWTMTRUNBRO-UHFFFAOYSA-N	0	3	376.503	5.906	50	5		GKBAHN
CC(=O)c1ccc(N2CCN(Cc3c4ccccc4cc4ccccc43)CC2)cc1	ZINC000019633100	571022342	/nfs/dbraw/zinc/02/23/42/571022342.db2.gz	OTJSKBZDSLLUTG-UHFFFAOYSA-N	0	3	394.518	5.518	50	5		GKBAHN
Fc1ccccc1N1CCN(Cc2ccc3ccc4cccc5ccc2c3c45)CC1	ZINC000023281397	570353904	/nfs/dbraw/zinc/35/39/04/570353904.db2.gz	BMGXHUKQYJZBEN-UHFFFAOYSA-N	0	3	394.493	6.045	50	5		GKBAHN
Clc1c2ccccc2c(CN2CCN(c3ccccn3)CC2)c2ccccc12	ZINC000004987608	570421850	/nfs/dbraw/zinc/42/18/50/570421850.db2.gz	RSUVVYZAPSUSCF-UHFFFAOYSA-N	0	3	387.914	5.364	50	5		GKBAHN
O=[N+]([O-])c1ccc(CN2CCC(c3cc(-c4ccc(Cl)cc4)n[nH]3)CC2)cc1	ZINC000005626251	204143589	/nfs/dbraw/zinc/14/35/89/204143589.db2.gz	PKBSWSHIWDZTNJ-UHFFFAOYSA-N	0	3	396.878	5.018	50	5		GKBAHN
CC(C)c1ccc([C@H](C)N[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1	ZINC000009504038	204313497	/nfs/dbraw/zinc/31/34/97/204313497.db2.gz	JGEAFRLMOWHHDJ-UONOGXRCSA-N	0	3	389.883	5.049	50	5		GKBAHN
C[C@@H]1CCCCN1CCCn1cc(-c2ccc([N+](=O)[O-])cc2)sc1=S	ZINC000066087817	211000589	/nfs/dbraw/zinc/00/05/89/211000589.db2.gz	LNUHETGTSBTIOS-CQSZACIVSA-N	0	3	377.535	5.119	50	5		GKBAHN
CCN1CCN(c2ccc(Nc3ccnc4cc5ccccc5cc43)cc2)CC1	ZINC000000758710	521699965	/nfs/dbraw/zinc/69/99/65/521699965.db2.gz	FGVVQTVRBTWGJA-UHFFFAOYSA-N	0	3	382.511	5.274	50	5	biogenic	GKBAHN
O=c1cc(CN2CCC(Cc3ccccc3)CC2)c2c(ccc3ccccc32)o1	ZINC000003406644	570606762	/nfs/dbraw/zinc/60/67/62/570606762.db2.gz	IGRUZAHUIGZNRZ-UHFFFAOYSA-N	0	3	383.491	5.401	50	5		GKBAHN