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@H](C(=O)[O-])C(=O)N=[N+]=[N-]	238215529	572003848	/nfs/dbraw/zinc/00/38/48/572003848.db2.gz	BBZGZYVKMKUNGO-BYPYZUCNSA-N	-1	0	171.156	1.180	10	70		ADIERM
CC(C)CC[C@@H](C(=O)[O-])C(=O)N=[N+]=[N-]	238111820	572937177	/nfs/dbraw/zinc/93/71/77/572937177.db2.gz	CGMOXIMBIGYOBJ-ZCFIWIBFSA-N	-1	0	199.210	1.960	10	70		ADIERM
CC(C)[C@@H](C(=O)[O-])C(=O)N=[N+]=[N-]	238194597	572979687	/nfs/dbraw/zinc/97/96/87/572979687.db2.gz	BBZGZYVKMKUNGO-SCSAIBSYSA-N	-1	0	171.156	1.180	10	70		ADIERM
C[C@@H](S(=O)[O-])C(F)(F)F	217835649	566279493	/nfs/dbraw/zinc/27/94/93/566279493.db2.gz	AZNHGWXSTOMSNR-UWTATZPHSA-N	-1	0	162.132	1.159	10	70		ADIERM
C[C@H](S(=O)[O-])C(F)(F)F	217835576	566279757	/nfs/dbraw/zinc/27/97/57/566279757.db2.gz	AZNHGWXSTOMSNR-REOHCLBHSA-N	-1	0	162.132	1.159	10	70		ADIERM
O=S([O-])CC12CCC(CC1)C2	217978091	566279893	/nfs/dbraw/zinc/27/98/93/566279893.db2.gz	RJGJXAMXCAKMBS-UHFFFAOYSA-N	-1	0	174.265	1.788	10	70		ADIERM
CC(C)CC[C@H](C(=O)[O-])C(=O)N=[N+]=[N-]	238120645	572934670	/nfs/dbraw/zinc/93/46/70/572934670.db2.gz	CGMOXIMBIGYOBJ-LURJTMIESA-N	-1	0	199.210	1.960	10	70		ADIERM
CC(C)C[C@@H](C(=O)[O-])C(=O)N=[N+]=[N-]	238164759	572959351	/nfs/dbraw/zinc/95/93/51/572959351.db2.gz	SBJHQFKHZDPQNB-RXMQYKEDSA-N	-1	0	185.183	1.570	10	70		ADIERM
CC(C)C[C@H](C(=O)[O-])C(=O)N=[N+]=[N-]	238172742	572964288	/nfs/dbraw/zinc/96/42/88/572964288.db2.gz	SBJHQFKHZDPQNB-YFKPBYRVSA-N	-1	0	185.183	1.570	10	70		ADIERM
Cc1cc(F)ccc1-c1n[n-]c(=O)o1	159944640	344154916	/nfs/dbraw/zinc/15/49/16/344154916.db2.gz	UGNGODSIWSJPKG-UHFFFAOYSA-N	-1	0	194.165	1.477	10	70		ADIERM
Cc1nc(-c2ccc[nH]2)[n-]c(=O)c1F	160441103	344166292	/nfs/dbraw/zinc/16/62/92/344166292.db2.gz	MDYMOEBWOXYMJM-UHFFFAOYSA-N	-1	0	193.181	1.213	10	70		ADIERM
O=C([O-])N1CC[C@@H](C(F)F)C1	217790347	344406107	/nfs/dbraw/zinc/40/61/07/344406107.db2.gz	AEFUPDAWUGSDDB-SCSAIBSYSA-N	-1	0	165.139	1.251	10	70		ADIERM
O=C([O-])N1CC[C@H](C(F)F)C1	217790423	344406235	/nfs/dbraw/zinc/40/62/35/344406235.db2.gz	AEFUPDAWUGSDDB-BYPYZUCNSA-N	-1	0	165.139	1.251	10	70		ADIERM