smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#CC=C([O-])c1ccccc1C(=O)[O-]	1562162	342947533	/nfs/dbraw/zinc/94/75/33/342947533.db2.gz	FZRYQVANQIQLJS-UHFFFAOYSA-N	-2	3	189.170	1.481	40	30		ADEBHL
O=C1C=C([O-])/C(=N\[O-])c2ccccc21	104119959	343728954	/nfs/dbraw/zinc/72/89/54/343728954.db2.gz	RRFAVKCKYFRQRH-KHPPLWFESA-N	-2	3	189.170	1.503	40	30		ADEBHL
CC(/C=N/[O-])=N\N=C(C)\C(C)=N\[O-]	256055512	166229696	/nfs/dbraw/zinc/22/96/96/166229696.db2.gz	JMJUFCQVHDJAIV-GZGBMRHASA-N	-2	3	184.199	1.133	40	30		ADEBHL
CC(=N\[O-])/C(C)=N/N=C(C)/C(C)=N/[O-]	111917695	166230823	/nfs/dbraw/zinc/23/08/23/166230823.db2.gz	PCJWXOPHXZGOHE-HFBXSBKTSA-N	-2	3	198.226	1.523	40	30		ADEBHL
[O-]/N=C1/C/C(=N\[O-])c2ccccc21	104375423	169313509	/nfs/dbraw/zinc/31/35/09/169313509.db2.gz	VPQPJUDANCCIRW-PNQPDEHRSA-N	-2	3	176.175	1.447	40	30		ADEBHL
[O-]/N=C1\C/C(=N\[O-])c2ccccc21	18010481	169313906	/nfs/dbraw/zinc/31/39/06/169313906.db2.gz	VPQPJUDANCCIRW-GFULKKFKSA-N	-2	3	176.175	1.447	40	30		ADEBHL
[O-]/N=C/c1cc(F)cc(Cl)c1[O-]	100473061	169313962	/nfs/dbraw/zinc/31/39/62/169313962.db2.gz	IHSVAIULSXAZKD-XCVCLJGOSA-N	-2	3	189.573	1.993	40	30		ADEBHL
[O-]/N=C1/C/C(=N/[O-])c2ccccc21	104375429	169314053	/nfs/dbraw/zinc/31/40/53/169314053.db2.gz	VPQPJUDANCCIRW-WGEIWTTOSA-N	-2	3	176.175	1.447	40	30		ADEBHL
O=C([O-])c1ccccc1/C=N\[O-]	4742629	171013848	/nfs/dbraw/zinc/01/38/48/171013848.db2.gz	VLRVPJCWMLBRTQ-UITAMQMPSA-N	-2	3	165.148	1.193	40	30		ADEBHL
O=C([O-])CC/C(=N/[O-])c1ccccc1	16982765	171031353	/nfs/dbraw/zinc/03/13/53/171031353.db2.gz	QEBFDSLTQPOGBG-LUAWRHEFSA-N	-2	3	193.202	1.730	40	30		ADEBHL
O=C([O-])C(=O)C=C([O-])c1cccs1	100440634	171145059	/nfs/dbraw/zinc/14/50/59/171145059.db2.gz	HTBXLUKKKPUQOZ-XQRVVYSFSA-N	-2	3	198.199	1.457	40	30		ADEBHL
O=C(/C(Cl)=N/[O-])c1ccc([O-])cc1	95851627	171185740	/nfs/dbraw/zinc/18/57/40/171185740.db2.gz	YHOOPWNLHRKWEM-NTMALXAHSA-N	-2	3	199.593	1.601	40	30		ADEBHL
O=C([O-])CCC(=N[O-])c1ccccc1	263605786	171188420	/nfs/dbraw/zinc/18/84/20/171188420.db2.gz	QEBFDSLTQPOGBG-UHFFFAOYSA-N	-2	3	193.202	1.730	40	30		ADEBHL
O=C1C=C([O-])/C(=N/[O-])c2ccccc21	104119964	343728935	/nfs/dbraw/zinc/72/89/35/343728935.db2.gz	RRFAVKCKYFRQRH-ZHACJKMWSA-N	-2	3	189.170	1.503	40	30		ADEBHL
O=C([O-])c1ccccc1/C=N/[O-]	104156414	343729345	/nfs/dbraw/zinc/72/93/45/343729345.db2.gz	VLRVPJCWMLBRTQ-WEVVVXLNSA-N	-2	3	165.148	1.193	40	30		ADEBHL
O=Nc1ccc([O-])c(/C=N\[O-])c1	8580636	351356330	/nfs/dbraw/zinc/35/63/30/351356330.db2.gz	PFVQEGGNKQIDDS-YWEYNIOJSA-N	-2	3	166.136	1.598	40	30		ADEBHL
O=Nc1ccc([O-])c(/C=N/[O-])c1	104176803	351710599	/nfs/dbraw/zinc/71/05/99/351710599.db2.gz	PFVQEGGNKQIDDS-XBXARRHUSA-N	-2	3	166.136	1.598	40	30		ADEBHL
COc1ccc(/C=N\[O-])cc1C(=O)[O-]	409049564	352158924	/nfs/dbraw/zinc/15/89/24/352158924.db2.gz	WNVNOYCYWNQJKA-YHYXMXQVSA-N	-2	3	195.174	1.202	40	30		ADEBHL
N#CC=C([O-])c1cc(F)ccc1[O-]	228924299	526443019	/nfs/dbraw/zinc/44/30/19/526443019.db2.gz	ZFKWVGGMWWACRZ-UHFFFAOYSA-N	-2	3	179.150	1.628	40	30		ADEBHL