smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(S(=O)(=O)[N-]c2ccccc2/C=N/c2c(C)ccc3nccc(C)c32)cc1	ZINC000020368338	557012198	/nfs/dbraw/zinc/01/21/98/557012198.db2.gz	CCAKSPCTAOQVQS-JVWAILMASA-N	-1	1	429.545	5.711	10	30		IKEEMM
CCCCCCCCc1c(C)nc(SCc2cc([N+](=O)[O-])ccc2OCC)[n-]c1=O	ZINC000103592082	557316731	/nfs/dbraw/zinc/31/67/31/557316731.db2.gz	GDUUCCBYBBZHLP-UHFFFAOYSA-N	-1	1	433.574	5.993	10	30		IKEEMM
C=C(C)[C@@H](CC=C(C)C)Cc1c(O)cc(OC)c(C(=O)/C=C/c2ccc(O)cc2O)c1[O-]	ZINC000004199940	560197377	/nfs/dbraw/zinc/19/73/77/560197377.db2.gz	PIAPWPAWQGDOMN-CKDFRHGISA-N	-1	1	438.520	5.505	10	30	biogenic,in-vitro	IKEEMM
CCCCCCCCCCCCCCO[P@](=O)([O-])O[C@@H](CC(=O)[O-])C[N+](C)(C)C	ZINC000043356594	520006378	/nfs/dbraw/zinc/00/63/78/520006378.db2.gz	HSNUXANXVHLGQT-FQEVSTJZSA-O	-1	1	438.566	5.371	10	30		IKEEMM
C=C(C)[C@H](CC=C(C)C)Cc1c(O)cc(OC)c(C(=O)/C=C/c2ccc(O)cc2O)c1[O-]	ZINC000013817033	563009407	/nfs/dbraw/zinc/00/94/07/563009407.db2.gz	PIAPWPAWQGDOMN-SXAWMYDMSA-N	-1	1	438.520	5.505	10	30	biogenic,in-vivo	IKEEMM
Cc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2/C=N/c2cccc(C)c2)cc1	ZINC000020368330	557012164	/nfs/dbraw/zinc/01/21/64/557012164.db2.gz	TZMVXQRRUZUNEC-OEAKJJBVSA-N	-1	1	443.366	5.617	10	30		IKEEMM
O=[N+]([O-])c1cccc(C=Nn2cc(-c3ccccc3)nc2N=Cc2cc(Cl)ccc2[O-])c1	ZINC000252626225	569203303	/nfs/dbraw/zinc/20/33/03/569203303.db2.gz	QYSXCIYVRRBUSS-UHFFFAOYSA-N	-1	1	445.866	5.450	10	30		IKEEMM