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)(C)c1ccc(S)c(S)c1	ZINC000002570047	166383079	/nfs/dbraw/zinc/38/30/79/166383079.db2.gz	RDLVSWJHDFENPL-UHFFFAOYSA-N	0	2	198.356	3.562	10	0		AHAELN
Sc1ccc2[nH]c3ccccc3c2c1	ZINC000020431080	171039510	/nfs/dbraw/zinc/03/95/10/171039510.db2.gz	REUCBGCEOFUGQX-UHFFFAOYSA-N	0	2	199.278	3.610	10	0		AHAELN
Sc1ccc2c(c1)-c1ccccc1C2	ZINC000020431090	572217693	/nfs/dbraw/zinc/21/76/93/572217693.db2.gz	ZWPIXIWXVAMEKN-UHFFFAOYSA-N	0	2	198.290	3.547	10	0		AHAELN
Sc1cccc2cccc(Cl)c12	ZINC000033605095	171051710	/nfs/dbraw/zinc/05/17/10/171051710.db2.gz	YICMQGKNGMHCIU-UHFFFAOYSA-N	0	2	194.686	3.782	10	0		AHAELN
Sc1ccc(Cl)c2ccccc12	ZINC000039419492	171079000	/nfs/dbraw/zinc/07/90/00/171079000.db2.gz	IZGCRLJNTYEDEX-UHFFFAOYSA-N	0	2	194.686	3.782	10	0		AHAELN
CC(C)c1ccc(SC(=O)O)cc1	ZINC000259279908	574026593	/nfs/dbraw/zinc/02/65/93/574026593.db2.gz	RREPBVFQTMWSTM-UHFFFAOYSA-N	0	2	196.271	3.580	10	0		AHAELN
Cc1cc(S)cc(C(F)F)c1C	ZINC000575665209	352882296	/nfs/dbraw/zinc/88/22/96/352882296.db2.gz	BWEKAYRGSASXSQ-UHFFFAOYSA-N	0	2	188.242	3.530	10	0		AHAELN
Cc1cc(C(F)F)cc(C)c1S	ZINC000575666001	352882249	/nfs/dbraw/zinc/88/22/49/352882249.db2.gz	HPBFJKXCGNLRQX-UHFFFAOYSA-N	0	2	188.242	3.530	10	0		AHAELN
Cc1cc(S)c(C(F)F)cc1C	ZINC000575666320	352882481	/nfs/dbraw/zinc/88/24/81/352882481.db2.gz	KDQVLZCWIRLKSY-UHFFFAOYSA-N	0	2	188.242	3.530	10	0		AHAELN
Cc1cc(C)c(C(F)F)c(S)c1	ZINC000575667001	352883386	/nfs/dbraw/zinc/88/33/86/352883386.db2.gz	NIOQKRAWELUJPY-UHFFFAOYSA-N	0	2	188.242	3.530	10	0		AHAELN
Cc1cc(C(F)F)cc(S)c1C	ZINC000575667278	352883191	/nfs/dbraw/zinc/88/31/91/352883191.db2.gz	OYWDIJRALQEXAZ-UHFFFAOYSA-N	0	2	188.242	3.530	10	0		AHAELN
Cc1cc(S)c(C)c(C(F)F)c1	ZINC000575667345	352883202	/nfs/dbraw/zinc/88/32/02/352883202.db2.gz	POHYUTDMWHHTHG-UHFFFAOYSA-N	0	2	188.242	3.530	10	0		AHAELN
Cc1cc(S)cc(C)c1C(F)F	ZINC000575667709	352883208	/nfs/dbraw/zinc/88/32/08/352883208.db2.gz	QOQVNKDCXIIPNQ-UHFFFAOYSA-N	0	2	188.242	3.530	10	0		AHAELN
Cc1cc(C(F)F)c(C)cc1S	ZINC000575668638	352883840	/nfs/dbraw/zinc/88/38/40/352883840.db2.gz	WBOACDDEDQCMJS-UHFFFAOYSA-N	0	2	188.242	3.530	10	0		AHAELN
Cc1cc(C)c(C(F)F)cc1S	ZINC000575668866	352884240	/nfs/dbraw/zinc/88/42/40/352884240.db2.gz	XYBSTJXBVSMPMX-UHFFFAOYSA-N	0	2	188.242	3.530	10	0		AHAELN
Cc1cc(C)c(S)c(C(F)F)c1	ZINC000575668955	352884031	/nfs/dbraw/zinc/88/40/31/352884031.db2.gz	ZKXAJTODELNJQS-UHFFFAOYSA-N	0	2	188.242	3.530	10	0		AHAELN