smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C#CC(=O)NNc1cccc(-c2nn[n-]n2)c1	ZINC000823837669	607822436	/nfs/dbraw/zinc/82/24/36/607822436.db2.gz	FLYKJBRZFIBQHN-UHFFFAOYSA-N	-1	3	228.215	-0.057	20	50		BBGDHM
C#CC(=O)NNc1cccc(-c2nnn[n-]2)c1	ZINC000823837669	607822435	/nfs/dbraw/zinc/82/24/35/607822435.db2.gz	FLYKJBRZFIBQHN-UHFFFAOYSA-N	-1	3	228.215	-0.057	20	50		BBGDHM
C#CC(=O)NNc1ccc(-c2nn[n-]n2)cc1	ZINC000823838881	607822266	/nfs/dbraw/zinc/82/22/66/607822266.db2.gz	WEEVPDJBSUDNGR-UHFFFAOYSA-N	-1	3	228.215	-0.057	20	50		BBGDHM
C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NNC(=O)[O-]	ZINC000826047161	603892456	/nfs/dbraw/zinc/89/24/56/603892456.db2.gz	BJLIAOCYJSNCEE-HTRCEHHLSA-N	-1	3	242.279	-0.049	20	50		BBGDHM
C[C@H]1CN(C2CC2)C[C@H]1NC(=O)NNC(=O)[O-]	ZINC000826047162	603892823	/nfs/dbraw/zinc/89/28/23/603892823.db2.gz	BJLIAOCYJSNCEE-POYBYMJQSA-N	-1	3	242.279	-0.049	20	50		BBGDHM
C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NNC(=O)[O-]	ZINC000826047163	603892684	/nfs/dbraw/zinc/89/26/84/603892684.db2.gz	BJLIAOCYJSNCEE-SVRRBLITSA-N	-1	3	242.279	-0.049	20	50		BBGDHM
C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)NNC(=O)[O-]	ZINC000826047164	603892837	/nfs/dbraw/zinc/89/28/37/603892837.db2.gz	BJLIAOCYJSNCEE-XPUUQOCRSA-N	-1	3	242.279	-0.049	20	50		BBGDHM
COCC(=O)NNc1cccc(-c2nn[n-]n2)c1	ZINC000826147569	607335437	/nfs/dbraw/zinc/33/54/37/607335437.db2.gz	BQBYXGVJTVOILN-UHFFFAOYSA-N	-1	3	248.246	-0.044	20	50		BBGDHM
COCC(=O)NNc1cccc(-c2nnn[n-]2)c1	ZINC000826147569	607335435	/nfs/dbraw/zinc/33/54/35/607335435.db2.gz	BQBYXGVJTVOILN-UHFFFAOYSA-N	-1	3	248.246	-0.044	20	50		BBGDHM
COCC(=O)NNc1ccc(-c2nn[n-]n2)cc1	ZINC000826147922	607355165	/nfs/dbraw/zinc/35/51/65/607355165.db2.gz	QSIPWIQVUFMWKM-UHFFFAOYSA-N	-1	3	248.246	-0.044	20	50		BBGDHM
NC(=O)NN=Cc1ccccc1-c1nn[n-]n1	ZINC000826392951	607882345	/nfs/dbraw/zinc/88/23/45/607882345.db2.gz	VDQDWQRCENWLRM-UHFFFAOYSA-N	-1	3	231.219	-0.131	20	50		BBGDHM
NC(=O)NN=Cc1ccccc1-c1nnn[n-]1	ZINC000826392951	607882344	/nfs/dbraw/zinc/88/23/44/607882344.db2.gz	VDQDWQRCENWLRM-UHFFFAOYSA-N	-1	3	231.219	-0.131	20	50		BBGDHM
O=C(CO)NN=Cc1ccccc1-c1nn[n-]n1	ZINC000826414553	609161354	/nfs/dbraw/zinc/16/13/54/609161354.db2.gz	AYISESYQCVAZNN-UHFFFAOYSA-N	-1	3	246.230	-0.691	20	50		BBGDHM
O=C(CO)NN=Cc1ccccc1-c1nnn[n-]1	ZINC000826414553	609161353	/nfs/dbraw/zinc/16/13/53/609161353.db2.gz	AYISESYQCVAZNN-UHFFFAOYSA-N	-1	3	246.230	-0.691	20	50		BBGDHM
O=C(CO)NN=Cc1ccc(-c2nn[n-]n2)cc1	ZINC000826415130	609161167	/nfs/dbraw/zinc/16/11/67/609161167.db2.gz	SFXFYRNKWBNDEQ-UHFFFAOYSA-N	-1	3	246.230	-0.691	20	50		BBGDHM
O=C(CO)NN=Cc1ccc(-c2nnn[n-]2)cc1	ZINC000826415130	609161166	/nfs/dbraw/zinc/16/11/66/609161166.db2.gz	SFXFYRNKWBNDEQ-UHFFFAOYSA-N	-1	3	246.230	-0.691	20	50		BBGDHM
O=C(CO)NN=Cc1cccc(-c2nn[n-]n2)c1	ZINC000826415153	609161502	/nfs/dbraw/zinc/16/15/02/609161502.db2.gz	UAWRQEVVHPWTDA-UHFFFAOYSA-N	-1	3	246.230	-0.691	20	50		BBGDHM
O=C(CO)NN=Cc1cccc(-c2nnn[n-]2)c1	ZINC000826415153	609161500	/nfs/dbraw/zinc/16/15/00/609161500.db2.gz	UAWRQEVVHPWTDA-UHFFFAOYSA-N	-1	3	246.230	-0.691	20	50		BBGDHM
CC(C)(NC(=O)[O-])C(=O)NNc1ccncc1	ZINC000833461019	605765960	/nfs/dbraw/zinc/76/59/60/605765960.db2.gz	JSURTVAIDSWGGR-UHFFFAOYSA-N	-1	3	238.247	-0.007	20	50		BBGDHM
CN(CC(=O)NNc1ccncc1)C(=O)[O-]	ZINC000833692846	605727490	/nfs/dbraw/zinc/72/74/90/605727490.db2.gz	YLTHARGLFVCEBG-UHFFFAOYSA-N	-1	3	224.220	-0.444	20	50		BBGDHM
O=C([O-])NCC(=O)NNc1ccncc1	ZINC000833777212	605814102	/nfs/dbraw/zinc/81/41/02/605814102.db2.gz	HVPPWWFAQGJJBX-UHFFFAOYSA-N	-1	3	210.193	-0.786	20	50		BBGDHM
C[C@@H](NC(=O)[O-])C(=O)NNc1ccncc1	ZINC000833894795	605814155	/nfs/dbraw/zinc/81/41/55/605814155.db2.gz	HLMCDFFWGDNEFE-ZCFIWIBFSA-N	-1	3	224.220	-0.397	20	50		BBGDHM
O=C([O-])NC1(C(=O)NNc2ccncc2)CC1	ZINC000834154330	605815528	/nfs/dbraw/zinc/81/55/28/605815528.db2.gz	PZVOHJODPWZHSX-UHFFFAOYSA-N	-1	3	236.231	-0.253	20	50		BBGDHM
O=C([O-])NCCC(=O)NNc1ccncc1	ZINC000834229193	605815377	/nfs/dbraw/zinc/81/53/77/605815377.db2.gz	ZUAZDFROEUJKAV-UHFFFAOYSA-N	-1	3	224.220	-0.396	20	50		BBGDHM
O=C([O-])NCCCC(=O)NNc1ccncc1	ZINC000834232316	605815680	/nfs/dbraw/zinc/81/56/80/605815680.db2.gz	RFCBBRGUDKQUHZ-UHFFFAOYSA-N	-1	3	238.247	-0.006	20	50		BBGDHM