smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CSc1ccccc1[N-]C(=O)c1cc(Cl)sc1Cl	ZINC000000141070	563223405	/nfs/dbraw/zinc/22/34/05/563223405.db2.gz	KFBAGTHGYGTOLK-UHFFFAOYSA-N	-1	3	318.250	5.029	50	0		DKAAHM
O=C(c1coc2c1cc([O-])c1ccccc21)c1ccc(Cl)cc1	ZINC000000155483	563225834	/nfs/dbraw/zinc/22/58/34/563225834.db2.gz	DHFMPIJITCFEFT-UHFFFAOYSA-N	-1	3	322.747	5.176	50	0		DKAAHM
S=c1nc2ccccc2c(Nc2cc(Cl)cc(Cl)c2)[n-]1	ZINC000000425535	563613404	/nfs/dbraw/zinc/61/34/04/563613404.db2.gz	SUFGTPIQSIRBSN-UHFFFAOYSA-N	-1	3	322.220	5.343	50	0		DKAAHM
Cc1oc2c(cc([O-])c3ccccc23)c1C(=O)c1ccc(C)cc1	ZINC000000448486	563255699	/nfs/dbraw/zinc/25/56/99/563255699.db2.gz	GNHBGYZITVTDJH-UHFFFAOYSA-N	-1	3	316.356	5.139	50	0		DKAAHM
O=C([N-]c1cc(F)ccc1F)c1sc2ccccc2c1Cl	ZINC000002125202	563300215	/nfs/dbraw/zinc/30/02/15/563300215.db2.gz	WFFXNYXDCYJERD-UHFFFAOYSA-N	-1	3	323.751	5.085	50	0		DKAAHM
Cc1ccc(C(c2ccc(C)o2)c2cc(Cl)ccc2[O-])o1	ZINC000003846766	181049349	/nfs/dbraw/zinc/04/93/49/181049349.db2.gz	UWOIUTWQXJJVKG-UHFFFAOYSA-N	-1	3	302.757	5.029	50	0		DKAAHM
[O-]c1cccc2ccc(/C=C/c3c(Cl)cccc3Cl)nc12	ZINC000004302821	181094933	/nfs/dbraw/zinc/09/49/33/181094933.db2.gz	XXDAPKIGZDFBEA-MDZDMXLPSA-N	-1	3	316.187	5.418	50	0		DKAAHM
S=c1nc2ccccc2c(-c2cc(Cl)cc(Cl)c2)[n-]1	ZINC000004726463	181143290	/nfs/dbraw/zinc/14/32/90/181143290.db2.gz	JQHLDTBLAWNSNS-UHFFFAOYSA-N	-1	3	307.205	5.266	50	0		DKAAHM
[O-]c1cccc2ccc(/C=C/c3ccc(Cl)cc3Cl)nc12	ZINC000004755376	181148913	/nfs/dbraw/zinc/14/89/13/181148913.db2.gz	FGEKSFQAAXPJHB-VMPITWQZSA-N	-1	3	316.187	5.418	50	0		DKAAHM
[O-]c1cccc2ccc(/C=C/c3cccc(Cl)c3Cl)nc12	ZINC000004755390	181148772	/nfs/dbraw/zinc/14/87/72/181148772.db2.gz	KTOMKMRACZIUGS-VQHVLOKHSA-N	-1	3	316.187	5.418	50	0		DKAAHM
[O-]c1cccc2ccc(/C=C/c3ccc(Cl)c(Cl)c3)nc12	ZINC000004978767	181183575	/nfs/dbraw/zinc/18/35/75/181183575.db2.gz	DIBBYDCUKYNIKH-QPJJXVBHSA-N	-1	3	316.187	5.418	50	0		DKAAHM
CC(C)(C)c1cc(-c2ccccc2)cc(-c2ccccc2[O-])n1	ZINC000006040782	563834213	/nfs/dbraw/zinc/83/42/13/563834213.db2.gz	SVVBTXLSVPNRIN-UHFFFAOYSA-N	-1	3	303.405	5.419	50	0		DKAAHM
[O-]c1cccc2ccc(/C=C/c3ccc(C(F)(F)F)cc3)nc12	ZINC000006086700	181311315	/nfs/dbraw/zinc/31/13/15/181311315.db2.gz	UKICBIWCXBWZGT-UXBLZVDNSA-N	-1	3	315.294	5.130	50	0		DKAAHM
[O-]c1ccc(/C=C/c2nc3cc(-c4ccccc4)ccc3o2)cc1	ZINC000007745821	181491800	/nfs/dbraw/zinc/49/18/00/181491800.db2.gz	PRTMFRKLQMZFJS-MDWZMJQESA-N	-1	3	313.356	5.371	50	0		DKAAHM
Clc1ccc2oc([N-]c3cc(Cl)ccc3Cl)nc2c1	ZINC000007986547	563945915	/nfs/dbraw/zinc/94/59/15/563945915.db2.gz	LEYUYZIPPOIAFH-UHFFFAOYSA-N	-1	3	313.571	5.532	50	0		DKAAHM
C[C@H](Sc1n[n-]c(-c2cccs2)n1)c1ccccc1Cl	ZINC000008312643	563947661	/nfs/dbraw/zinc/94/76/61/563947661.db2.gz	LTBGUTJITYDZCP-VIFPVBQESA-N	-1	3	321.858	5.040	50	0		DKAAHM
C[C@@H](Sc1n[n-]c(-c2cccs2)n1)c1ccccc1Cl	ZINC000008312645	563947735	/nfs/dbraw/zinc/94/77/35/563947735.db2.gz	LTBGUTJITYDZCP-SECBINFHSA-N	-1	3	321.858	5.040	50	0		DKAAHM
[O-]c1cccc(/N=c2\cc(-c3ccccc3)oc3ccccc32)c1	ZINC000012201320	563928637	/nfs/dbraw/zinc/92/86/37/563928637.db2.gz	WKUNTFACBIMBLR-ZBJSNUHESA-N	-1	3	313.356	5.038	50	0		DKAAHM
[O-]c1ccc(/N=c2\cc(-c3ccccc3)oc3ccccc32)cc1	ZINC000012201327	563928548	/nfs/dbraw/zinc/92/85/48/563928548.db2.gz	UVWONPKHNMADMO-ZBJSNUHESA-N	-1	3	313.356	5.038	50	0		DKAAHM
Cc1ccc([O-])c(-c2cc(-c3ccccc3)c3ccccc3n2)c1	ZINC000012547112	563800307	/nfs/dbraw/zinc/80/03/07/563800307.db2.gz	LHYADCUMEVENRM-UHFFFAOYSA-N	-1	3	311.384	5.583	50	0		DKAAHM
[O-]c1c(-c2cc(-c3ccc(Cl)cc3)[nH]n2)ccc2ccccc12	ZINC000018136367	182094518	/nfs/dbraw/zinc/09/45/18/182094518.db2.gz	HLYRWDUSWGDACF-UHFFFAOYSA-N	-1	3	320.779	5.256	50	0		DKAAHM
CC(C)c1cccc(C(C)C)c1OC(=O)N([O-])c1ccccc1	ZINC000022015132	563449107	/nfs/dbraw/zinc/44/91/07/563449107.db2.gz	XQVNGVNAYPMOCS-UHFFFAOYSA-N	-1	3	313.397	5.328	50	0		DKAAHM
Cc1ccc2nc(-c3ccccc3[O-])cc(-c3ccccc3)c2c1	ZINC000058140969	184080489	/nfs/dbraw/zinc/08/04/89/184080489.db2.gz	WYYRKTYLFKXEMZ-UHFFFAOYSA-N	-1	3	311.384	5.583	50	0		DKAAHM
CC(C)(C)c1cc(-c2ccccc2)cc(Br)c1[O-]	ZINC000071766937	563465799	/nfs/dbraw/zinc/46/57/99/563465799.db2.gz	ZDQHNZUAOBNNIL-UHFFFAOYSA-N	-1	3	305.215	5.119	50	0		DKAAHM
[O-]c1ccccc1C1=Nc2ccccc2N[C@H](c2ccccc2)C1	ZINC000075278771	563862170	/nfs/dbraw/zinc/86/21/70/563862170.db2.gz	UUIGARDCOKQZCJ-IBGZPJMESA-N	-1	3	314.388	5.070	50	0		DKAAHM
[O-]c1ccccc1C1=Nc2ccccc2N[C@@H](c2ccccc2)C1	ZINC000075278772	563862449	/nfs/dbraw/zinc/86/24/49/563862449.db2.gz	UUIGARDCOKQZCJ-LJQANCHMSA-N	-1	3	314.388	5.070	50	0		DKAAHM
O=C(c1coc2ccc([O-])cc12)c1ccc(-c2ccccc2)cc1	ZINC000170625286	197794678	/nfs/dbraw/zinc/79/46/78/197794678.db2.gz	VKVSERBQPNJHHS-UHFFFAOYSA-N	-1	3	314.340	5.036	50	0		DKAAHM