smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1oc2ccccc2c([O-])c1[C@@H](C/C(=N\[O-])c1ccccc1)c1ccccc1	ZINC000104168446	570298584	/nfs/dbraw/zinc/29/85/84/570298584.db2.gz	JVLKJJUUXZSGTK-UINQJLALSA-N	-2	3	385.419	4.899	40	30		GJEBHL
C/C(=N\c1cc(C)ccc1[O-])c1c([O-])c2ccccc2n(-c2ccccc2)c1=O	ZINC000100370451	518472739	/nfs/dbraw/zinc/47/27/39/518472739.db2.gz	CNVMHMHMJRALDH-PCLIKHOPSA-N	-2	3	384.435	4.851	40	30		GJEBHL
CC(=O)ON(Cc1c([O-])ccc2ccccc21)Cc1c([O-])ccc2ccccc21	ZINC000004706078	204066510	/nfs/dbraw/zinc/06/65/10/204066510.db2.gz	LQLWUSWKJFCCCQ-UHFFFAOYSA-N	-2	3	387.435	4.885	40	30		GJEBHL
O=c1oc2ccccc2c([O-])c1[C@H](C/C(=N\[O-])c1ccccc1)c1ccccc1	ZINC000104168436	570298560	/nfs/dbraw/zinc/29/85/60/570298560.db2.gz	JVLKJJUUXZSGTK-ZBCDYPQOSA-N	-2	3	385.419	4.899	40	30		GJEBHL
COc1cccc(-c2nc3cc(/N=C/c4cc(C(=O)[O-])ccc4[O-])ccc3o2)c1	ZINC000001425117	212061528	/nfs/dbraw/zinc/06/15/28/212061528.db2.gz	ZPGPUFIPXTUXTM-FSJBWODESA-N	-2	3	388.379	4.658	40	30		GJEBHL
O=C([O-])c1ccc2[nH]c(=O)c(C=C([O-])c3ccc(C4CCCCC4)cc3)nc2c1	ZINC000016401262	570923914	/nfs/dbraw/zinc/92/39/14/570923914.db2.gz	LVQAABBFDZEAPJ-MOSHPQCFSA-N	-2	3	390.439	4.563	40	30		GJEBHL
CC(C)(C)c1ccc([O-])c(/N=C/c2cc([N+](=O)[O-])cc(Br)c2[O-])c1	ZINC000000793929	570481811	/nfs/dbraw/zinc/48/18/11/570481811.db2.gz	NSLMEOYAZBCMJU-DJKKODMXSA-N	-2	3	393.237	4.817	40	30		GJEBHL
CCCCCCCOc1ccccc1C(c1c(C)[n-][nH]c1=O)c1c(C)[n-][nH]c1=O	ZINC000409005813	528134605	/nfs/dbraw/zinc/13/46/05/528134605.db2.gz	WNPWUXHRIKTZCR-UHFFFAOYSA-N	-2	3	398.507	4.690	40	30		GJEBHL
Cc1cccc([O-])c1/N=C/c1cc(Br)cc(Br)c1[O-]	ZINC000004411953	209119302	/nfs/dbraw/zinc/11/93/02/209119302.db2.gz	JJGXBSUYRAOHPI-REZTVBANSA-N	-2	3	385.055	4.682	40	30		GJEBHL
O=c1oc2ccccc2c([O-])c1[C@@H](C/C(=N/[O-])c1ccccc1)c1ccccc1	ZINC000104168449	570298597	/nfs/dbraw/zinc/29/85/97/570298597.db2.gz	JVLKJJUUXZSGTK-RPYJSOBJSA-N	-2	3	385.419	4.899	40	30		GJEBHL
O=[N+]([O-])c1cc(Br)c([O-])c(/C=N/c2c([O-])ccc3ccccc32)c1	ZINC000005518363	570443998	/nfs/dbraw/zinc/44/39/98/570443998.db2.gz	NMJKWDDLQVQYRP-DJKKODMXSA-N	-2	3	387.189	4.672	40	30		GJEBHL
O=c1oc2ccccc2c([O-])c1[C@H](C/C(=N/[O-])c1ccccc1)c1ccccc1	ZINC000104168440	570298653	/nfs/dbraw/zinc/29/86/53/570298653.db2.gz	JVLKJJUUXZSGTK-XZSXMJNUSA-N	-2	3	385.419	4.899	40	30		GJEBHL
CCCCCCCCCCS(=O)(=O)c1nc(N=Nc2ccc([O-])cc2)n[n-]1	ZINC000103764375	528126748	/nfs/dbraw/zinc/12/67/48/528126748.db2.gz	NUTWNGUBNYWXHE-QZQOTICOSA-N	-2	3	393.513	4.840	40	30		GJEBHL