smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[S-]c1c(Cl)c(Cl)cc(Cl)c1Cl	ZINC000000161397	188272820	/nfs/dbraw/zinc/27/28/20/188272820.db2.gz	IUPWBUULPWMLDU-UHFFFAOYSA-N	-1	0	247.961	4.589	40	0		BJABRM
S=c1[n-]c2c(cccc2-c2ccccc2)s1	ZINC000001555559	183313895	/nfs/dbraw/zinc/31/38/95/183313895.db2.gz	GUISIVZZEFLXQH-UHFFFAOYSA-N	-1	0	243.356	4.626	40	0		BJABRM
CC(C)c1cc(C(C)C)c(Cl)c(Cl)c1O	ZINC000001690835	342709567	/nfs/dbraw/zinc/70/95/67/342709567.db2.gz	NIOJGSGFABASGJ-UHFFFAOYSA-N	-1	0	247.165	4.946	40	0		BJABRM
CCCC/C=C/CCCCCCCCC(=O)[O-]	ZINC000002504617	188456340	/nfs/dbraw/zinc/45/63/40/188456340.db2.gz	APXSAEQXOXTDAM-AATRIKPKSA-N	-1	0	240.387	4.938	40	0	in-vitro	BJABRM
CC[C@@H](C)CCCCCCCCCC(=O)[O-]	ZINC000002558716	170694757	/nfs/dbraw/zinc/69/47/57/170694757.db2.gz	JIPTZBYHWFNYFB-CYBMUJFWSA-N	-1	0	228.376	4.628	40	0		BJABRM
CC[C@H](C)CCCCCCCCCC(=O)[O-]	ZINC000004556962	171269030	/nfs/dbraw/zinc/26/90/30/171269030.db2.gz	JIPTZBYHWFNYFB-ZDUSSCGKSA-N	-1	0	228.376	4.628	40	0		BJABRM
CCCCc1ccc(-c2ccc([S-])cc2)cc1	ZINC000015441833	169019030	/nfs/dbraw/zinc/01/90/30/169019030.db2.gz	AOOWOXHZADCSDT-UHFFFAOYSA-N	-1	0	242.387	4.985	40	0		BJABRM
CCCCc1ccc(-c2cccc([S-])c2)cc1	ZINC000015441834	169019286	/nfs/dbraw/zinc/01/92/86/169019286.db2.gz	PDKNPTQEAXFNKT-UHFFFAOYSA-N	-1	0	242.387	4.985	40	0		BJABRM
CCCc1ccc(-c2ccc([S-])cc2)cc1	ZINC000015441850	169568505	/nfs/dbraw/zinc/56/85/05/169568505.db2.gz	CRTRPRGGKHZXAR-UHFFFAOYSA-N	-1	0	228.360	4.595	40	0		BJABRM
CCCc1ccc(-c2cccc([S-])c2)cc1	ZINC000015441852	344204399	/nfs/dbraw/zinc/20/43/99/344204399.db2.gz	ZIEJHXGRHKXWLZ-UHFFFAOYSA-N	-1	0	228.360	4.595	40	0		BJABRM
Cc1ccc(C(C)C)c([S-])c1C(C)C	ZINC000031628715	178452306	/nfs/dbraw/zinc/45/23/06/178452306.db2.gz	CWEJQKQWZFZSQY-UHFFFAOYSA-N	-1	0	208.370	4.531	40	0		BJABRM
CC(C)(C)c1ccc([S-])c(C(C)(C)C)c1	ZINC000032150720	343229998	/nfs/dbraw/zinc/22/99/98/343229998.db2.gz	ACJAQOIIEMFTGS-UHFFFAOYSA-N	-1	0	222.397	4.570	40	0		BJABRM
CC/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)[O-]	ZINC000033822125	344955349	/nfs/dbraw/zinc/95/53/49/344955349.db2.gz	IVTCJQZAGWTMBZ-LTKCOYKYSA-N	-1	0	248.366	4.656	40	0	in-vitro	BJABRM
CC(C)(C)c1ccc(-c2ccc([S-])cc2)cc1	ZINC000095728282	387000343	/nfs/dbraw/zinc/00/03/43/387000343.db2.gz	BRCJLLKYYQLXIT-UHFFFAOYSA-N	-1	0	242.387	4.940	40	0		BJABRM
CC(C)(C)c1ccc(-c2cccc([S-])c2)cc1	ZINC000095728285	187287725	/nfs/dbraw/zinc/28/77/25/187287725.db2.gz	ADZXNISUADVUEC-UHFFFAOYSA-N	-1	0	242.387	4.940	40	0		BJABRM
CC(C)c1cccc(-c2ccc([S-])cc2)c1	ZINC000095728359	385595726	/nfs/dbraw/zinc/59/57/26/385595726.db2.gz	TWVYKUXEJAUYKL-UHFFFAOYSA-N	-1	0	228.360	4.766	40	0		BJABRM
CC(C)c1cccc(-c2cccc([S-])c2)c1	ZINC000095728364	387003000	/nfs/dbraw/zinc/00/30/00/387003000.db2.gz	QLDJFKHOTVWGTC-UHFFFAOYSA-N	-1	0	228.360	4.766	40	0		BJABRM
CC(C)c1ccccc1-c1ccc([S-])cc1	ZINC000095728366	387003406	/nfs/dbraw/zinc/00/34/06/387003406.db2.gz	GUEYPFVEOLNTQT-UHFFFAOYSA-N	-1	0	228.360	4.766	40	0		BJABRM
CC(C)c1ccccc1-c1cccc([S-])c1	ZINC000095728368	387002301	/nfs/dbraw/zinc/00/23/01/387002301.db2.gz	UTTDFKMQRMFMGL-UHFFFAOYSA-N	-1	0	228.360	4.766	40	0		BJABRM
CCCCCCSc1ccc([S-])cc1	ZINC000095731477	385615228	/nfs/dbraw/zinc/61/52/28/385615228.db2.gz	JHYSBFUBEQYENM-UHFFFAOYSA-N	-1	0	226.410	4.648	40	0		BJABRM
CCCCCCSc1cccc([S-])c1	ZINC000095731481	385617236	/nfs/dbraw/zinc/61/72/36/385617236.db2.gz	ZZHOXSSSJJCNOK-UHFFFAOYSA-N	-1	0	226.410	4.648	40	0		BJABRM
CCCCCCSc1ccccc1[S-]	ZINC000095731483	385615745	/nfs/dbraw/zinc/61/57/45/385615745.db2.gz	MBRVILAEHLNRPA-UHFFFAOYSA-N	-1	0	226.410	4.648	40	0		BJABRM
CCCCCCOc1ccc([S-])cc1Cl	ZINC000095732684	385881744	/nfs/dbraw/zinc/88/17/44/385881744.db2.gz	NYTAUDLITDYUGJ-UHFFFAOYSA-N	-1	0	244.787	4.588	40	0		BJABRM