smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
c1c2ccc(cc3ccc(cc4ccc(cc5ccc1[nH]5)n4)[nH]3)n2	ZINC000005845723	181289033	/nfs/dbraw/zinc/28/90/33/181289033.db2.gz	JZRYQZJSTWVBBD-UHFFFAOYSA-N	0	1	310.360	4.870	10	5	endogenous,in-man	DJBEMN
CC[C@H](N[C@H](C)c1cc(F)cc(F)c1)c1cccc([N+](=O)[O-])c1	ZINC000090918638	332057136	/nfs/dbraw/zinc/05/71/36/332057136.db2.gz	KRRHTCQOXIZNPK-DIFFPNOSSA-N	0	1	320.339	4.675	10	5		DJBEMN
CC[C@@H](NCc1ccc([N+](=O)[O-])cc1Cl)c1cccs1	ZINC000049963683	332331332	/nfs/dbraw/zinc/33/13/32/332331332.db2.gz	BXPNSSHXFPAGPY-CYBMUJFWSA-N	0	1	310.806	4.551	10	5		DJBEMN
CC[C@@H](N[C@H](C)c1cc(F)cc(F)c1)c1cccc([N+](=O)[O-])c1	ZINC000161615062	337592157	/nfs/dbraw/zinc/59/21/57/337592157.db2.gz	KRRHTCQOXIZNPK-PIGZYNQJSA-N	0	1	320.339	4.675	10	5		DJBEMN
CCC[C@H](N[C@@H](C)c1ccc(C)o1)c1cccc([N+](=O)[O-])c1	ZINC000121614120	337896048	/nfs/dbraw/zinc/89/60/48/337896048.db2.gz	VPYGFPTZVPIEGT-BBRMVZONSA-N	0	1	302.374	4.688	10	5		DJBEMN
CCc1ccc2nccc(Nc3ccc([N+](=O)[O-])cc3C)c2c1	ZINC000065005452	184308647	/nfs/dbraw/zinc/30/86/47/184308647.db2.gz	YDCQIJBVHKBBFF-UHFFFAOYSA-N	0	1	307.353	4.757	10	5		DJBEMN
CCc1ccc([C@@H](C)N[C@@H](CC)c2cccc([N+](=O)[O-])c2)o1	ZINC000090918597	332057272	/nfs/dbraw/zinc/05/72/72/332057272.db2.gz	KWPQJONAKARELI-WBMJQRKESA-N	0	1	302.374	4.552	10	5		DJBEMN
C[C@@H](N[C@@H](C)c1cccc(Cl)c1)c1ccccc1[N+](=O)[O-]	ZINC000020526163	333319938	/nfs/dbraw/zinc/31/99/38/333319938.db2.gz	BKHMTUINNGNSGO-NWDGAFQWSA-N	0	1	304.777	4.660	10	5		DJBEMN
Cc1ccc2nccc(Nc3ccc(Cl)c([N+](=O)[O-])c3)c2c1	ZINC000041054804	183159119	/nfs/dbraw/zinc/15/91/19/183159119.db2.gz	DWDXRTDLZKPVIF-UHFFFAOYSA-N	0	1	313.744	4.848	10	5		DJBEMN
CC[C@H](NCc1ccc([N+](=O)[O-])cc1Cl)c1cccs1	ZINC000049963682	332331400	/nfs/dbraw/zinc/33/14/00/332331400.db2.gz	BXPNSSHXFPAGPY-ZDUSSCGKSA-N	0	1	310.806	4.551	10	5		DJBEMN
CCc1ccc([C@@H](C)N[C@H](CC)c2cccc([N+](=O)[O-])c2)o1	ZINC000161636157	337595441	/nfs/dbraw/zinc/59/54/41/337595441.db2.gz	KWPQJONAKARELI-MLGOLLRUSA-N	0	1	302.374	4.552	10	5		DJBEMN
CCC[C@H](N[C@H](C)c1ccc(C)o1)c1cccc([N+](=O)[O-])c1	ZINC000121614421	337896028	/nfs/dbraw/zinc/89/60/28/337896028.db2.gz	VPYGFPTZVPIEGT-CJNGLKHVSA-N	0	1	302.374	4.688	10	5		DJBEMN
CC[C@H](N[C@@H](C)c1cc(F)cc(F)c1)c1cccc([N+](=O)[O-])c1	ZINC000090918637	332096180	/nfs/dbraw/zinc/09/61/80/332096180.db2.gz	KRRHTCQOXIZNPK-GTNSWQLSSA-N	0	1	320.339	4.675	10	5		DJBEMN
CC[C@H](NCc1cc([N+](=O)[O-])ccc1Cl)c1cccs1	ZINC000049529352	332315407	/nfs/dbraw/zinc/31/54/07/332315407.db2.gz	QEDZUOAMEKERRP-ZDUSSCGKSA-N	0	1	310.806	4.551	10	5		DJBEMN
CCC[C@@H](N[C@@H](C)c1ccc(C)o1)c1cccc([N+](=O)[O-])c1	ZINC000121614262	517599217	/nfs/dbraw/zinc/59/92/17/517599217.db2.gz	VPYGFPTZVPIEGT-XJKSGUPXSA-N	0	1	302.374	4.688	10	5		DJBEMN
CCC[C@@H](N[C@H](C)c1ccc(C)o1)c1cccc([N+](=O)[O-])c1	ZINC000121614569	337896026	/nfs/dbraw/zinc/89/60/26/337896026.db2.gz	VPYGFPTZVPIEGT-CZUORRHYSA-N	0	1	302.374	4.688	10	5		DJBEMN
Cc1ccc2c(Nc3ccc([N+](=O)[O-])cc3C)ccnc2c1C	ZINC000041055374	183160447	/nfs/dbraw/zinc/16/04/47/183160447.db2.gz	UOSMCZVHJKGVQG-UHFFFAOYSA-N	0	1	307.353	4.812	10	5		DJBEMN
Cc1cc(C)c2nccc(Nc3ccc([N+](=O)[O-])cc3C)c2c1	ZINC000041054991	183159543	/nfs/dbraw/zinc/15/95/43/183159543.db2.gz	NSEOGYFXBRIDLI-UHFFFAOYSA-N	0	1	307.353	4.812	10	5		DJBEMN
CCc1ccc([C@H](C)N[C@@H](CC)c2cccc([N+](=O)[O-])c2)o1	ZINC000090918598	332057203	/nfs/dbraw/zinc/05/72/03/332057203.db2.gz	KWPQJONAKARELI-LRDDRELGSA-N	0	1	302.374	4.552	10	5		DJBEMN
CC[C@@H](NCc1cc([N+](=O)[O-])ccc1Cl)c1cccs1	ZINC000049529353	332315534	/nfs/dbraw/zinc/31/55/34/332315534.db2.gz	QEDZUOAMEKERRP-CYBMUJFWSA-N	0	1	310.806	4.551	10	5		DJBEMN
CCc1ccc([C@H](C)N[C@H](CC)c2cccc([N+](=O)[O-])c2)o1	ZINC000161636275	517850355	/nfs/dbraw/zinc/85/03/55/517850355.db2.gz	KWPQJONAKARELI-BLLLJJGKSA-N	0	1	302.374	4.552	10	5		DJBEMN