smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Clc1cc(Cl)c(N=NCc2ccco2)c(Cl)c1	ZINC000005344528	170087928	/nfs/dbraw/zinc/08/79/28/170087928.db2.gz	ZHWJPVGKJCCAPW-GIDUJCDVSA-N	0	1	289.549	4.686	10	30		CJEEMN
CC(=NNc1nc2ccccc2s1)c1ccc(C)cc1C	ZINC000007894611	170306308	/nfs/dbraw/zinc/30/63/08/170306308.db2.gz	FJNTXDJDVZDWON-CPNJWEJPSA-N	0	1	295.411	4.749	10	30		CJEEMN
CC(=[NH+][N-]c1nc2ccccc2s1)c1ccc(C)cc1C	ZINC000007894611	170306307	/nfs/dbraw/zinc/30/63/07/170306307.db2.gz	FJNTXDJDVZDWON-CPNJWEJPSA-N	0	1	295.411	4.749	10	30		CJEEMN
O=C(/C=C/c1ccc(Cl)c(Cl)c1)c1ccccc1O	ZINC000040429179	174258814	/nfs/dbraw/zinc/25/88/14/174258814.db2.gz	QNLAWVVTEVXBHF-SOFGYWHQSA-N	0	1	293.149	4.595	10	30		CJEEMN
CC(C)[C@H](N[C@@H]1CCCCC[C@@H]1C#N)c1cccs1	ZINC000054827155	519821486	/nfs/dbraw/zinc/82/14/86/519821486.db2.gz	MJQKWECNYAYXOH-FMKPAKJESA-N	0	1	276.449	4.507	10	30		CJEEMN
CC(C)[C@@H](N[C@@H]1CCCCC[C@@H]1C#N)c1cccs1	ZINC000054827157	519799719	/nfs/dbraw/zinc/79/97/19/519799719.db2.gz	MJQKWECNYAYXOH-IIAWOOMASA-N	0	1	276.449	4.507	10	30		CJEEMN
CC(C)[C@H](N[C@H]1CCCCC[C@@H]1C#N)c1cccs1	ZINC000054827159	519821561	/nfs/dbraw/zinc/82/15/61/519821561.db2.gz	MJQKWECNYAYXOH-YCPHGPKFSA-N	0	1	276.449	4.507	10	30		CJEEMN
CC(C)[C@@H](N[C@H]1CCCCC[C@@H]1C#N)c1cccs1	ZINC000054827161	519799832	/nfs/dbraw/zinc/79/98/32/519799832.db2.gz	MJQKWECNYAYXOH-IJEWVQPXSA-N	0	1	276.449	4.507	10	30		CJEEMN
CCCCCN(C(C)C)[C@@H](CC#N)c1ccccc1	ZINC000055020562	520149856	/nfs/dbraw/zinc/14/98/56/520149856.db2.gz	CXHRWATUACYULY-KRWDZBQOSA-N	0	1	258.409	4.542	10	30		CJEEMN
CCCCCN(C(C)C)[C@H](CC#N)c1ccccc1	ZINC000055020564	520150033	/nfs/dbraw/zinc/15/00/33/520150033.db2.gz	CXHRWATUACYULY-QGZVFWFLSA-N	0	1	258.409	4.542	10	30		CJEEMN
CC(C)c1ccc([C@@H](C)NCc2ccccc2C#N)cc1	ZINC000057569042	330375936	/nfs/dbraw/zinc/37/59/36/330375936.db2.gz	OMHFMMJMVQLPET-OAHLLOKOSA-N	0	1	278.399	4.532	10	30		CJEEMN
CC(C)c1ccc([C@H](C)NCc2ccccc2C#N)cc1	ZINC000057569044	330376005	/nfs/dbraw/zinc/37/60/05/330376005.db2.gz	OMHFMMJMVQLPET-HNNXBMFYSA-N	0	1	278.399	4.532	10	30		CJEEMN
CCCC[C@@]1(OCC)C=CC(/N=C/c2ccccc2)=CC1	ZINC000071791699	176263457	/nfs/dbraw/zinc/26/34/57/176263457.db2.gz	LTZQZQSGQBNBFB-MPSQLMGGSA-N	0	1	283.415	4.915	10	30		CJEEMN
CCCC[C@]1(OCC)C=CC(/N=C/c2ccccc2)=CC1	ZINC000071791700	176263511	/nfs/dbraw/zinc/26/35/11/176263511.db2.gz	LTZQZQSGQBNBFB-YTVAGWOFSA-N	0	1	283.415	4.915	10	30		CJEEMN
CCCCO[C@@]1(CC)C=CC(/N=C\c2ccccc2)=CC1	ZINC000071791718	176263390	/nfs/dbraw/zinc/26/33/90/176263390.db2.gz	NYFUNUPYZCTHGZ-ZWVASEPXSA-N	0	1	283.415	4.915	10	30		CJEEMN