smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CO[C@H]1CS(=O)(=O)C[C@H]1NCc1ccc(F)c(F)c1[O-]	ZINC000703286117	667076600	/nfs/dbraw/zinc/07/66/00/667076600.db2.gz	NADSTSYRNSAPMF-ZJUUUORDSA-N	-1	1	307.318	0.572	10	10		DCCEMM
C[C@@H](C1CC1)n1nccc1NC=C1C(=O)[N-]C(=S)NC1=O	ZINC000060865274	664576706	/nfs/dbraw/zinc/57/67/06/664576706.db2.gz	HGRPKXUUGPSDRN-ZETCQYMHSA-N	-1	1	305.363	0.681	10	10		DCCEMM
CO[C@@H]1CS(=O)(=O)C[C@@H]1NCc1ccc(F)c(F)c1[O-]	ZINC000703286114	667076801	/nfs/dbraw/zinc/07/68/01/667076801.db2.gz	NADSTSYRNSAPMF-VHSXEESVSA-N	-1	1	307.318	0.572	10	10		DCCEMM
COc1ccc(N2CCN(C(=O)Cc3nn[n-]n3)CC2)cc1	ZINC000408504547	534008378	/nfs/dbraw/zinc/00/83/78/534008378.db2.gz	YOAFBBDIXBBPRJ-UHFFFAOYSA-N	-1	1	302.338	0.100	10	10		DCCEMM
CC(=O)c1cc(Cl)cc(CN2CCOC[C@@H]2C(N)=O)c1[O-]	ZINC000092230056	193177554	/nfs/dbraw/zinc/17/75/54/193177554.db2.gz	DBKNFRPFYFJFKM-GFCCVEGCSA-N	-1	1	312.753	0.934	10	10		DCCEMM
CC(=O)c1cc(Cl)cc(CN2CCOC[C@H]2C(N)=O)c1[O-]	ZINC000092230057	193177642	/nfs/dbraw/zinc/17/76/42/193177642.db2.gz	DBKNFRPFYFJFKM-LBPRGKRZSA-N	-1	1	312.753	0.934	10	10		DCCEMM
C[C@H](C1CC1)n1nccc1NC=C1C(=O)[N-]C(=S)NC1=O	ZINC000072680460	666393797	/nfs/dbraw/zinc/39/37/97/666393797.db2.gz	HGRPKXUUGPSDRN-SSDOTTSWSA-N	-1	1	305.363	0.681	10	10		DCCEMM
CO[C@H]1CS(=O)(=O)C[C@@H]1NCc1ccc(F)c(F)c1[O-]	ZINC000703286110	667076562	/nfs/dbraw/zinc/07/65/62/667076562.db2.gz	NADSTSYRNSAPMF-UWVGGRQHSA-N	-1	1	307.318	0.572	10	10		DCCEMM
O=C1[N-]C(=S)NC(=O)C1=CNC1C2CC3CC(C2)CC1C3	ZINC000121042142	657555250	/nfs/dbraw/zinc/55/52/50/657555250.db2.gz	ZAKBQTPQURDVOD-UHFFFAOYSA-N	-1	1	305.403	0.816	10	10		DCCEMM
Cc1nc2cc(NC=C3C(=O)[N-]C(=S)NC3=O)ccc2o1	ZINC000060865620	664576918	/nfs/dbraw/zinc/57/69/18/664576918.db2.gz	DVLMQELLXNSFDH-UHFFFAOYSA-N	-1	1	302.315	0.963	10	10		DCCEMM
CN1C(=O)C(=Cc2ccc(OCC(N)=O)cc2)C(=O)[N-]C1=S	ZINC000056656486	664408286	/nfs/dbraw/zinc/40/82/86/664408286.db2.gz	FCMVNMIXBYCWKF-POHAHGRESA-N	-1	1	319.342	0.648	10	10		DCCEMM
CO[C@@H]1CS(=O)(=O)C[C@H]1NCc1ccc(F)c(F)c1[O-]	ZINC000703286106	667076469	/nfs/dbraw/zinc/07/64/69/667076469.db2.gz	NADSTSYRNSAPMF-NXEZZACHSA-N	-1	1	307.318	0.572	10	10		DCCEMM