smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)=CCc1cc(C(C)=O)cc(CC=C(C)C)c1O	ZINC000003473269	560188909	/nfs/dbraw/zinc/18/89/09/560188909.db2.gz	XVTRUNNIGJWXKK-UHFFFAOYSA-N	0	1	272.388	4.612	1	0	in-vitro	CJAFMN
C[C@@H]1S[C@H](c2ccccc2F)N2Cc3ccccc3N=C12	ZINC000006040683	170170763	/nfs/dbraw/zinc/17/07/63/170170763.db2.gz	RISATPIJHQZPEZ-APPDUMDISA-N	0	1	298.386	4.505	1	0		CJAFMN
CC(C)(C)c1nc(-c2ccncc2)c(-c2ccc(F)cc2)[nH]1	ZINC000008536321	170339308	/nfs/dbraw/zinc/33/93/08/170339308.db2.gz	RKTINGRJURYERF-UHFFFAOYSA-N	0	1	295.361	4.575	1	0		CJAFMN
Clc1ccc2c(c1)-c1[nH]c(-c3ccccc3)nc1CCC2	ZINC000013440055	170550176	/nfs/dbraw/zinc/55/01/76/170550176.db2.gz	SNWOLZVECRQTRZ-UHFFFAOYSA-N	0	1	294.785	4.886	1	0		CJAFMN
CN1Cc2sccc2[C@H](c2ccc(Cl)cc2Cl)C1	ZINC000038157578	174135064	/nfs/dbraw/zinc/13/50/64/174135064.db2.gz	FQZOLGKCSYLHQA-LBPRGKRZSA-N	0	1	298.238	4.632	1	0		CJAFMN
CN1Cc2sccc2[C@@H](c2ccc(Cl)cc2Cl)C1	ZINC000038157579	174135120	/nfs/dbraw/zinc/13/51/20/174135120.db2.gz	FQZOLGKCSYLHQA-GFCCVEGCSA-N	0	1	298.238	4.632	1	0		CJAFMN
Nc1cc(-c2ccc3ccccc3c2)nc2ccccc12	ZINC000045195950	175326850	/nfs/dbraw/zinc/32/68/50/175326850.db2.gz	PVPAEFVZAVHINA-UHFFFAOYSA-N	0	1	270.335	4.637	1	0		CJAFMN
Cc1ccc2nc(C=Cc3cccc4cc[nH]c43)[nH]c2c1	ZINC000045231336	175335275	/nfs/dbraw/zinc/33/52/75/175335275.db2.gz	VIWQZPYPIMFBOG-SOFGYWHQSA-N	0	1	273.339	4.523	1	0		CJAFMN
Cc1nc(-c2cccc(/C=C/c3ccccc3)c2)[nH]c1C	ZINC000045394013	175376189	/nfs/dbraw/zinc/37/61/89/175376189.db2.gz	OMHSTVRDTWTYAU-VAWYXSNFSA-N	0	1	274.367	4.864	1	0		CJAFMN
CCN1C(C)=Nc2ccc(Cl)cc2[C@H]1c1ccccc1	ZINC000072122963	176320076	/nfs/dbraw/zinc/32/00/76/176320076.db2.gz	RXHBKWUENATLEX-QGZVFWFLSA-N	0	1	284.790	4.815	1	0		CJAFMN
CCN1C(C)=Nc2ccc(Cl)cc2[C@@H]1c1ccccc1	ZINC000072122964	176320071	/nfs/dbraw/zinc/32/00/71/176320071.db2.gz	RXHBKWUENATLEX-KRWDZBQOSA-N	0	1	284.790	4.815	1	0		CJAFMN
CC[C@@H](C)c1nc2ccccn2c1NC1CCCCC1	ZINC000072139698	176322673	/nfs/dbraw/zinc/32/26/73/176322673.db2.gz	SAMJMWPWGGZKEK-CYBMUJFWSA-N	0	1	271.408	4.592	1	0		CJAFMN
CC[C@H](C)c1nc2ccccn2c1NC1CCCCC1	ZINC000072139699	176322890	/nfs/dbraw/zinc/32/28/90/176322890.db2.gz	SAMJMWPWGGZKEK-ZDUSSCGKSA-N	0	1	271.408	4.592	1	0		CJAFMN
CCCCC[C@@H](C)NCc1coc(C2CCCCC2)n1	ZINC000072173276	176333870	/nfs/dbraw/zinc/33/38/70/176333870.db2.gz	FOUKURJBAXWDRW-CQSZACIVSA-N	0	1	278.440	4.781	1	0		CJAFMN
CCCCC[C@H](C)NCc1coc(C2CCCCC2)n1	ZINC000072173277	176333582	/nfs/dbraw/zinc/33/35/82/176333582.db2.gz	FOUKURJBAXWDRW-AWEZNQCLSA-N	0	1	278.440	4.781	1	0		CJAFMN
CC(C)CN(C)Cc1coc(-c2cccc3ccccc32)n1	ZINC000072180816	176334528	/nfs/dbraw/zinc/33/45/28/176334528.db2.gz	CUQWJUPJTGXYBB-UHFFFAOYSA-N	0	1	294.398	4.583	1	0		CJAFMN
CN(Cc1coc(-c2cccc3ccccc32)n1)C(C)(C)C	ZINC000072182404	176335187	/nfs/dbraw/zinc/33/51/87/176335187.db2.gz	GUJLYFVOJNAEED-UHFFFAOYSA-N	0	1	294.398	4.725	1	0		CJAFMN
COc1ccccc1/C=C/C1=Nc2ccccc2C1(C)C	ZINC000096934720	185133299	/nfs/dbraw/zinc/13/32/99/185133299.db2.gz	HYWOKWFRLSEKKX-OUKQBFOZSA-N	0	1	277.367	4.772	1	0		CJAFMN