smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([N-][C@@H](CC1=CCCCC1)c1ccccc1)C(F)(F)F	ZINC000038142324	174134698	/nfs/dbraw/zinc/13/46/98/174134698.db2.gz	ZVKOMUUFTGMLEF-AWEZNQCLSA-N	-1	1	297.320	4.297	3	0		CIAFMM
[O-]c1cc(Cl)ccc1Oc1ccc2ncccc2c1	ZINC000095601773	185015250	/nfs/dbraw/zinc/01/52/50/185015250.db2.gz	BLKYBODYUBXWOM-UHFFFAOYSA-N	-1	1	271.703	4.386	1	0		CIAFMM
[O-]c1cc(C(F)=C(F)F)ccc1Oc1cccc(F)n1	ZINC000095575776	185011401	/nfs/dbraw/zinc/01/14/01/185011401.db2.gz	PKNAJACOEMUPCS-UHFFFAOYSA-N	-1	1	285.196	4.253	1	0		CIAFMM
C[C@]12CCC([P@H](=O)[O-])=CC1=CCc1cc(Cl)ccc12	ZINC000026398330	171482553	/nfs/dbraw/zinc/48/25/53/171482553.db2.gz	UAUZBNZBYMGCIQ-HNNXBMFYSA-N	-1	1	294.718	4.225	1	0		CIAFMM
CC(C)=CCc1c2[nH]c3ccccc3c2cc(C=O)c1[O-]	ZINC000015272361	571739313	/nfs/dbraw/zinc/73/93/13/571739313.db2.gz	ICYHRFZZQCYWNF-UHFFFAOYSA-N	-1	1	279.339	4.348	1	0	endogenous,in-man	CIAFMM
CCCCCn1c(=S)[n-]nc1-c1cccc(Cl)c1	ZINC000095597207	185015020	/nfs/dbraw/zinc/01/50/20/185015020.db2.gz	ZBWVNYMOPQGFMP-UHFFFAOYSA-N	-1	1	281.812	4.451	1	0		CIAFMM
CCn1c(=S)[n-]nc1[C@H](C)Oc1ccc2ccccc2c1	ZINC000045285555	175353370	/nfs/dbraw/zinc/35/33/70/175353370.db2.gz	UIDKDPOOBGIADN-NSHDSACASA-N	-1	1	299.399	4.254	1	0		CIAFMM
O=C(Nc1ccc(F)c(F)c1)c1cc2ccccc2cc1[O-]	ZINC000095558951	185009775	/nfs/dbraw/zinc/00/97/75/185009775.db2.gz	JRSQYHINKVFACC-UHFFFAOYSA-N	-1	1	299.276	4.076	1	0		CIAFMM
CC(C)=CCc1c2c(cc(C=O)c1[O-])c1ccccc1n2C	ZINC000072113737	176318056	/nfs/dbraw/zinc/31/80/56/176318056.db2.gz	HUOOGLOSOSLEPY-UHFFFAOYSA-N	-1	1	293.366	4.358	1	0		CIAFMM
CCn1c(=S)[n-]nc1[C@@H](C)Oc1ccc2ccccc2c1	ZINC000045285553	175353366	/nfs/dbraw/zinc/35/33/66/175353366.db2.gz	UIDKDPOOBGIADN-LLVKDONJSA-N	-1	1	299.399	4.254	1	0		CIAFMM