smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(-c2cc(-c3cc(Cl)ccc3[O-])on2)cc1	ZINC000000264194	169591345	/nfs/dbraw/zinc/59/13/45/169591345.db2.gz	AMCJGMXNLYUFKZ-UHFFFAOYSA-N	-1	1	285.730	4.676	10	0		CJAEMM
S=c1[n-]nc(-c2cccs2)n1C1CCCCCCC1	ZINC000020591079	171261324	/nfs/dbraw/zinc/26/13/24/171261324.db2.gz	VYSRZLHRUCYMLX-UHFFFAOYSA-N	-1	1	293.461	4.955	10	0		CJAEMM
C[C@@H]1CCC[C@@H](n2c(=S)[n-]nc2-c2cccs2)[C@@H]1C	ZINC000020591243	171261488	/nfs/dbraw/zinc/26/14/88/171261488.db2.gz	DCMHFJUSNQNKSF-GMTAPVOTSA-N	-1	1	293.461	4.666	10	0		CJAEMM
C[C@H]1[C@H](n2c(=S)[n-]nc2-c2cccs2)CCC[C@@H]1C	ZINC000020591245	171261302	/nfs/dbraw/zinc/26/13/02/171261302.db2.gz	DCMHFJUSNQNKSF-HBNTYKKESA-N	-1	1	293.461	4.666	10	0		CJAEMM
C[C@@H]1CCC[C@H](n2c(=S)[n-]nc2-c2cccs2)[C@@H]1C	ZINC000020591246	171261391	/nfs/dbraw/zinc/26/13/91/171261391.db2.gz	DCMHFJUSNQNKSF-MXWKQRLJSA-N	-1	1	293.461	4.666	10	0		CJAEMM
C[C@@H]1[C@@H](C)CCC[C@@H]1n1c(=S)[n-]nc1-c1cccs1	ZINC000020591248	171261186	/nfs/dbraw/zinc/26/11/86/171261186.db2.gz	DCMHFJUSNQNKSF-AXFHLTTASA-N	-1	1	293.461	4.666	10	0		CJAEMM
CC(=O)c1ccc([O-])c(CSc2ccccc2Cl)c1	ZINC000037313609	173115871	/nfs/dbraw/zinc/11/58/71/173115871.db2.gz	CLLIIXKXWVOAFO-UHFFFAOYSA-N	-1	1	292.787	4.541	10	0		CJAEMM
[O-]c1ccc(CNc2cccc3ccccc32)cc1Cl	ZINC000043476660	175054495	/nfs/dbraw/zinc/05/44/95/175054495.db2.gz	ZREQTBKIKBXYKU-UHFFFAOYSA-N	-1	1	283.758	4.811	10	0		CJAEMM
CC(C)(C)c1ccc(NCc2ccc([O-])c(Cl)c2)cc1	ZINC000043476695	175055035	/nfs/dbraw/zinc/05/50/35/175055035.db2.gz	JNPAYLDUPOXITF-UHFFFAOYSA-N	-1	1	289.806	4.955	10	0		CJAEMM
CC(C)c1ccc(NCc2ccc([O-])c(Cl)c2)cc1	ZINC000043476751	175054634	/nfs/dbraw/zinc/05/46/34/175054634.db2.gz	QTJBLKUDRCWUGY-UHFFFAOYSA-N	-1	1	275.779	4.781	10	0		CJAEMM
Cc1cc(Cl)ccc1NCc1ccc([O-])c(Cl)c1	ZINC000043477010	175054530	/nfs/dbraw/zinc/05/45/30/175054530.db2.gz	LGRNWILCXREHPE-UHFFFAOYSA-N	-1	1	282.170	4.620	10	0		CJAEMM
[O-]c1ccc(CNc2ccc3ccccc3c2)cc1Cl	ZINC000043477891	175055375	/nfs/dbraw/zinc/05/53/75/175055375.db2.gz	YWMUYAHMKGHLBA-UHFFFAOYSA-N	-1	1	283.758	4.811	10	0		CJAEMM
CCCCCC[C@@H](C)n1c(=S)[n-]nc1C(C)C	ZINC000049219531	520119783	/nfs/dbraw/zinc/11/97/83/520119783.db2.gz	FGGMGUKHHOQEDQ-LLVKDONJSA-N	-1	1	255.431	4.595	10	0		CJAEMM
CCCCCC[C@H](C)n1c(=S)[n-]nc1C(C)C	ZINC000049219534	520131867	/nfs/dbraw/zinc/13/18/67/520131867.db2.gz	FGGMGUKHHOQEDQ-NSHDSACASA-N	-1	1	255.431	4.595	10	0		CJAEMM
CCC[C@@H](c1cccs1)n1c(=S)[n-]nc1C(C)C	ZINC000049546401	520812070	/nfs/dbraw/zinc/81/20/70/520812070.db2.gz	IRCVASSXAOJVLA-JTQLQIEISA-N	-1	1	281.450	4.515	10	0		CJAEMM
CCC[C@H](c1cccs1)n1c(=S)[n-]nc1C(C)C	ZINC000049546403	521196747	/nfs/dbraw/zinc/19/67/47/521196747.db2.gz	IRCVASSXAOJVLA-SNVBAGLBSA-N	-1	1	281.450	4.515	10	0		CJAEMM
CCCC1CCC(n2c(=S)[n-]nc2C(C)C)CC1	ZINC000049546436	519899392	/nfs/dbraw/zinc/89/93/92/519899392.db2.gz	ZHGXLEGWLNFMQA-UHFFFAOYSA-N	-1	1	267.442	4.595	10	0		CJAEMM
[O-]c1cc(-c2ccc(C(F)(F)F)cc2)ccc1Cl	ZINC000065343488	175713330	/nfs/dbraw/zinc/71/33/30/175713330.db2.gz	GOLZSADUNLXAHQ-UHFFFAOYSA-N	-1	1	272.653	4.731	10	0		CJAEMM
[O-]c1cc(-c2ccc(F)c(C(F)(F)F)c2)ccc1Cl	ZINC000065343599	175713000	/nfs/dbraw/zinc/71/30/00/175713000.db2.gz	HKTQOUZJCCZQMZ-UHFFFAOYSA-N	-1	1	290.643	4.871	10	0		CJAEMM
O=C(c1cccc2ccccc21)c1ccc([O-])c2ccccc12	ZINC000095917655	185030760	/nfs/dbraw/zinc/03/07/60/185030760.db2.gz	YFYYABPKWABGQX-UHFFFAOYSA-N	-1	1	298.341	4.930	10	0		CJAEMM
C[C@H]([NH2+]Cc1cccc(O)c1Cl)c1ccc(Cl)cc1	ZINC000381351984	336059880	/nfs/dbraw/zinc/05/98/80/336059880.db2.gz	FDLRQEHSZQVNSU-JTQLQIEISA-N	-1	1	296.197	4.550	10	0		CJAEMM