smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(C#N)cc1NC(=O)c1ccc(NC(=O)[O-])cc1[O-]	ZINC000833901055	605644534	/nfs/dbraw/zinc/64/45/34/605644534.db2.gz	DCSSJXJBYTTYQP-UHFFFAOYSA-N	-2	1	311.297	2.915	20	30		DFEDML
CC(N=Nc1ccc(C(=O)[O-])cn1)c1cc(F)cc(F)c1[O-]	ZINC000763369942	604668539	/nfs/dbraw/zinc/66/85/39/604668539.db2.gz	YYBLYIQPLYWBJI-UHFFFAOYSA-N	-2	1	307.256	2.600	20	30		DFEDML
C=CCCc1ccccc1[N-]S(=O)(=O)c1c[nH]c(C(=O)[O-])c1	ZINC000443419519	429250122	/nfs/dbraw/zinc/25/01/22/429250122.db2.gz	VVVHOFUCDQUPDS-UHFFFAOYSA-N	-2	1	320.370	2.632	20	30		DFEDML
C#CCN(C(=O)c1ccc(NC(=O)[O-])cc1[O-])C1CCCC1	ZINC000833786958	605653984	/nfs/dbraw/zinc/65/39/84/605653984.db2.gz	FHEDIZAWMBBMTR-UHFFFAOYSA-N	-2	1	302.330	2.500	20	30		DFEDML
N#C[C@@H](NC(=O)c1ccc(NC(=O)[O-])cc1[O-])C1CCCCC1	ZINC000833961543	605654786	/nfs/dbraw/zinc/65/47/86/605654786.db2.gz	RFOZNWHMDGFFGD-CYBMUJFWSA-N	-2	1	317.345	2.684	20	30		DFEDML
CC(=NNc1ccccc1C(=O)[O-])c1ccc(CC(=O)[O-])cc1	ZINC000833387005	605101108	/nfs/dbraw/zinc/10/11/08/605101108.db2.gz	JAZDBIFBUINUJC-UHFFFAOYSA-N	-2	1	312.325	2.848	20	30		DFEDML
C=CCN(CC(F)(F)F)C(=O)c1ccc(NC(=O)[O-])cc1[O-]	ZINC000833788412	605644339	/nfs/dbraw/zinc/64/43/39/605644339.db2.gz	YJJJNNFNXXYEES-UHFFFAOYSA-N	-2	1	318.251	2.673	20	30		DFEDML
O=C([O-])c1ccc(/C=C\C(=O)c2cc(C(=O)[O-])ccc2O)cc1	ZINC000757475156	601825574	/nfs/dbraw/zinc/82/55/74/601825574.db2.gz	YYBYYEJGJHZAKD-CLTKARDFSA-N	-2	1	312.277	2.685	20	30		DFEDML
C#CCN(C(=O)c1ccc(NC(=O)[O-])cc1[O-])C1CCCCC1	ZINC000833787442	605644292	/nfs/dbraw/zinc/64/42/92/605644292.db2.gz	PERBUERACBEUHK-UHFFFAOYSA-N	-2	1	316.357	2.890	20	30		DFEDML
N#C[C@H](NC(=O)c1ccc(NC(=O)[O-])cc1[O-])C1CCCCC1	ZINC000833961549	605655126	/nfs/dbraw/zinc/65/51/26/605655126.db2.gz	RFOZNWHMDGFFGD-ZDUSSCGKSA-N	-2	1	317.345	2.684	20	30		DFEDML