smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[NH3+][C@H](CC(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1)c1ccccc1[O-]	ZINC001159457134	1069347292	/nfs/dbraw/zinc/34/72/92/1069347292.db2.gz	FQJCEHAMSLJCIA-KLICCBINSA-N	0	3	451.545	-0.097	20	10		JBCDHN
[NH3+][C@H](CC(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1)c1ccccc1[O-]	ZINC001159457135	1069347129	/nfs/dbraw/zinc/34/71/29/1069347129.db2.gz	FQJCEHAMSLJCIA-KNIMUDFMSA-N	0	3	451.545	-0.097	20	10		JBCDHN
Cc1cc(=O)oc2cc([O-])c(C[N@@H+](C)CC(=O)NCCS(=O)(=O)N3CCNCC3)cc12	ZINC001219678585	1069537042	/nfs/dbraw/zinc/53/70/42/1069537042.db2.gz	UVBBRBMSXKSLQO-UHFFFAOYSA-N	0	3	452.533	-0.410	20	10		JBCDHN
Cc1cc(=O)oc2cc([O-])c(C[N@H+](C)CC(=O)NCCS(=O)(=O)N3CCNCC3)cc12	ZINC001219678585	1069537039	/nfs/dbraw/zinc/53/70/39/1069537039.db2.gz	UVBBRBMSXKSLQO-UHFFFAOYSA-N	0	3	452.533	-0.410	20	10		JBCDHN
COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)NC[C@@]3(O)CCN(C)C3)CC2)cc1	ZINC001312977195	1070367216	/nfs/dbraw/zinc/36/72/16/1070367216.db2.gz	NSHGEFXSBPZNAM-FQEVSTJZSA-N	0	3	455.581	-0.487	20	10		JBCDHN
COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)NC[C@]3(O)CCN(C)C3)CC2)cc1	ZINC001312977196	1070367309	/nfs/dbraw/zinc/36/73/09/1070367309.db2.gz	NSHGEFXSBPZNAM-HXUWFJFHSA-N	0	3	455.581	-0.487	20	10		JBCDHN