smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@H](NCc1ccc(Cl)c([N+](=O)[O-])c1)c1cccc(Br)c1	ZINC000096838431	222134153	/nfs/dbraw/zinc/13/41/53/222134153.db2.gz	FHTGTWXRKXFEHW-SNVBAGLBSA-N	0	1	369.646	4.862	10	5		FJBEMN
Cc1ccc(Nc2ncnc(Nc3ccc(Cl)cn3)c2[N+](=O)[O-])c(C)c1	ZINC000040621026	205073885	/nfs/dbraw/zinc/07/38/85/205073885.db2.gz	WKHTXOQPVNQJKR-UHFFFAOYSA-N	0	1	370.800	4.537	10	5		FJBEMN
CC[C@@H](NCc1ccc(Br)s1)c1cccc([N+](=O)[O-])c1	ZINC000038018450	211354504	/nfs/dbraw/zinc/35/45/04/211354504.db2.gz	FCXKICSQRPBBMD-CYBMUJFWSA-N	0	1	355.257	4.660	10	5		FJBEMN
Cc1ccc(Oc2ncnc(Nc3cc(F)ccc3F)c2[N+](=O)[O-])cc1	ZINC000040659798	205076043	/nfs/dbraw/zinc/07/60/43/205076043.db2.gz	IXKYLBJDTIIECO-UHFFFAOYSA-N	0	1	358.304	4.507	10	5		FJBEMN
COc1cc2nccc(Nc3ccc(Cl)c([N+](=O)[O-])c3)c2cc1OC	ZINC000065005301	221164292	/nfs/dbraw/zinc/16/42/92/221164292.db2.gz	VWFWGZDEQKJROY-UHFFFAOYSA-N	0	1	359.769	4.557	10	5		FJBEMN
Cc1ccnc(Nc2ncnc(Nc3cccc(Cl)c3C)c2[N+](=O)[O-])c1	ZINC000040588148	205072598	/nfs/dbraw/zinc/07/25/98/205072598.db2.gz	AHSRXEGOSZIKQG-UHFFFAOYSA-N	0	1	370.800	4.537	10	5		FJBEMN
Cc1ccnc(Nc2ncnc(Nc3ccc(Cl)cc3C)c2[N+](=O)[O-])c1	ZINC000040588153	205072636	/nfs/dbraw/zinc/07/26/36/205072636.db2.gz	GXQFOXHSUUROFY-UHFFFAOYSA-N	0	1	370.800	4.537	10	5		FJBEMN
Cc1ccnc(Nc2ncnc(Nc3ccc(C)c(Cl)c3)c2[N+](=O)[O-])c1	ZINC000040588154	208256869	/nfs/dbraw/zinc/25/68/69/208256869.db2.gz	HXWFJHMGLQSEMQ-UHFFFAOYSA-N	0	1	370.800	4.537	10	5		FJBEMN
Cc1cccc(Nc2ncnc(Nc3cc(Cl)ccc3C)c2[N+](=O)[O-])n1	ZINC000040584522	208256952	/nfs/dbraw/zinc/25/69/52/208256952.db2.gz	VRPVOYQFHPSKCE-UHFFFAOYSA-N	0	1	370.800	4.537	10	5		FJBEMN
CC[N+](CC)(CC)CCCCCCCCCCCC[P@](=O)([O-])O	ZINC000044960048	717130047	/nfs/dbraw/zinc/13/00/47/717130047.db2.gz	CIRTZQBPHCNDAD-UHFFFAOYSA-O	0	1	350.504	4.942	10	5		FJBEMN
Cc1cccc(Nc2ncnc(Nc3ccc(C)c(Cl)c3)c2[N+](=O)[O-])n1	ZINC000040584516	208256753	/nfs/dbraw/zinc/25/67/53/208256753.db2.gz	YEUNGAKRHDXPIZ-UHFFFAOYSA-N	0	1	370.800	4.537	10	5		FJBEMN
Cc1cc(C)cc(Oc2ncnc(Nc3cc(F)ccc3F)c2[N+](=O)[O-])c1	ZINC000040582853	208256938	/nfs/dbraw/zinc/25/69/38/208256938.db2.gz	XCMCAUFTUOFZIV-UHFFFAOYSA-N	0	1	372.331	4.816	10	5		FJBEMN
Cc1ccc(C)c(Nc2ncnc(Nc3cccnc3Cl)c2[N+](=O)[O-])c1	ZINC000040592386	208258462	/nfs/dbraw/zinc/25/84/62/208258462.db2.gz	IFDHMOJQPSTHRG-UHFFFAOYSA-N	0	1	370.800	4.537	10	5		FJBEMN
CCOc1cc2nccc(Nc3cccc([N+](=O)[O-])c3)c2cc1OCC	ZINC000054202424	221051856	/nfs/dbraw/zinc/05/18/56/221051856.db2.gz	WCVSPFAAEDZMNV-UHFFFAOYSA-N	0	1	353.378	4.684	10	5		FJBEMN
Cc1cc(C)cc(Nc2ncnc(Nc3cccnc3Cl)c2[N+](=O)[O-])c1	ZINC000040583120	208256148	/nfs/dbraw/zinc/25/61/48/208256148.db2.gz	KALJHPUKCGXOLN-UHFFFAOYSA-N	0	1	370.800	4.537	10	5		FJBEMN
Cc1ccnc(Nc2ncnc(Nc3cc(Cl)ccc3C)c2[N+](=O)[O-])c1	ZINC000040588157	208257407	/nfs/dbraw/zinc/25/74/07/208257407.db2.gz	IAVVAAQXAUTWSY-UHFFFAOYSA-N	0	1	370.800	4.537	10	5		FJBEMN
Cc1ccc(Nc2ncnc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])nc1	ZINC000040607798	208258127	/nfs/dbraw/zinc/25/81/27/208258127.db2.gz	ZXQRWWUKPWVIFF-UHFFFAOYSA-N	0	1	373.825	4.636	10	5		FJBEMN
Cc1ccc(Nc2ncnc(Nc3cccnc3Cl)c2[N+](=O)[O-])c(C)c1	ZINC000040621383	208258690	/nfs/dbraw/zinc/25/86/90/208258690.db2.gz	WKCCJEQVLPANTB-UHFFFAOYSA-N	0	1	370.800	4.537	10	5		FJBEMN
Cc1ccc2nc(-c3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4)cc3)[nH]c2c1	ZINC000021141827	220353714	/nfs/dbraw/zinc/35/37/14/220353714.db2.gz	JYMJYRHKWPSAIK-UHFFFAOYSA-N	0	1	372.384	4.699	10	5		FJBEMN
Cc1cccc(Nc2ncnc(Nc3ccc(Cl)cc3C)c2[N+](=O)[O-])n1	ZINC000040584514	208256248	/nfs/dbraw/zinc/25/62/48/208256248.db2.gz	INXSLHUIYNIZBV-UHFFFAOYSA-N	0	1	370.800	4.537	10	5		FJBEMN
Cc1ccnc(Nc2ncnc(Nc3cccc4ccccc43)c2[N+](=O)[O-])c1	ZINC000040588226	208258952	/nfs/dbraw/zinc/25/89/52/208258952.db2.gz	SIPCHOFSNGYEQB-UHFFFAOYSA-N	0	1	372.388	4.729	10	5		FJBEMN
CCc1[nH]c(=S)nc(-c2ccccc2)c1-c1ccc([N+](=O)[O-])cc1O	ZINC000017002073	220200928	/nfs/dbraw/zinc/20/09/28/220200928.db2.gz	SRNJURQJXBKXMK-UHFFFAOYSA-N	0	1	353.403	4.649	10	5		FJBEMN
Cc1ccc(Nc2ncnc(Nc3ncccc3C)c2[N+](=O)[O-])cc1Cl	ZINC000040590912	208259600	/nfs/dbraw/zinc/25/96/00/208259600.db2.gz	NODXQWMRUJRROB-UHFFFAOYSA-N	0	1	370.800	4.537	10	5		FJBEMN