smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#Cc1nn(-c2ccc(-c3ccc(-n4nc(C#N)c(=O)[n-]c4=O)cc3)cc2)c(=O)[n-]c1=O	ZINC000016429404	568900336	/nfs/dbraw/zinc/90/03/36/568900336.db2.gz	FBFSVGMDBHRPBO-UHFFFAOYSA-N	-2	0	426.352	-0.435	40	30		IBEBRL
O=C([O-])c1nnn([C@H]2CO[C@@H]3[C@@H](OS(=O)(=O)c4ccccc4)CO[C@@H]23)c1C(=O)[O-]	ZINC000073633215	526411689	/nfs/dbraw/zinc/41/16/89/526411689.db2.gz	XOVXZFYKTCNTBS-TXFQPVFDSA-N	-2	0	425.375	-0.213	40	30		IBEBRL
O=C([O-])c1nnn([C@H]2CO[C@H]3[C@@H]2OC[C@@H]3OS(=O)(=O)c2ccccc2)c1C(=O)[O-]	ZINC000073633217	526412051	/nfs/dbraw/zinc/41/20/51/526412051.db2.gz	XOVXZFYKTCNTBS-DUBDDPSESA-N	-2	0	425.375	-0.213	40	30		IBEBRL
O=C([O-])c1nnn([C@H]2CO[C@H]3[C@@H](OS(=O)(=O)c4ccccc4)CO[C@H]32)c1C(=O)[O-]	ZINC000073633220	526411773	/nfs/dbraw/zinc/41/17/73/526411773.db2.gz	XOVXZFYKTCNTBS-NUZBWSBOSA-N	-2	0	425.375	-0.213	40	30		IBEBRL
O=C([O-])c1nnn([C@H]2CO[C@@H]3[C@@H]2OC[C@@H]3OS(=O)(=O)c2ccccc2)c1C(=O)[O-]	ZINC000073633221	526411218	/nfs/dbraw/zinc/41/12/18/526411218.db2.gz	XOVXZFYKTCNTBS-ZNIXKSQXSA-N	-2	0	425.375	-0.213	40	30		IBEBRL
CC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)/C(=N\OCC(=O)[O-])c3csc(N)n3)[C@H]2SC1	ZINC000077287068	520813416	/nfs/dbraw/zinc/81/34/16/520813416.db2.gz	ZDMZWMRTKADQNC-HBWVYFAYSA-N	-2	0	441.447	-0.711	40	30	in-vitro	IBEBRL
C[C@H]1c2cccc(O)c2C([O-])=C2C(=O)[C@]3(O)C(=O)C(C(N)=O)=C([O-])[C@@H]([NH+](C)C)[C@@H]3[C@@H](O)[C@@H]21	ZINC000100056779	568839605	/nfs/dbraw/zinc/83/96/05/568839605.db2.gz	UEVKMCOZLJYVNG-NMMSOKQRSA-N	-2	0	444.440	-0.504	40	30	in-vitro	IBEBRL
C[NH+](C)[C@@H]1C([O-])=C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3=C([O-])c4c(O)cccc4[C@@](C)(O)[C@H]3C[C@@H]12	ZINC000102229720	568883096	/nfs/dbraw/zinc/88/30/96/568883096.db2.gz	JYHCQVWYCGHXGP-BPPSBWQWSA-N	-2	0	444.440	-0.371	40	30	in-vitro	IBEBRL
C[C@@H]1c2cccc(O)c2C([O-])=C2C(=O)[C@@]3(O)C(=O)C(C(N)=O)=C([O-])[C@H]([NH+](C)C)[C@@H]3[C@H](O)[C@H]21	ZINC000227256860	568904423	/nfs/dbraw/zinc/90/44/23/568904423.db2.gz	JBIWCJUYHHGXTC-ZVQKKFRMSA-N	-2	0	444.440	-0.348	40	30		IBEBRL