smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CN2C(=O)CSC2=S)[C@H](O)OC(C)(C)C)C1	ZINC001144848760	1070448611	/nfs/dbraw/zinc/44/86/11/1070448611.db2.gz	WDGANYGDAKYXBD-AVVLXZEZSA-N	2	0	462.638	0.142	20	10		JCCDRP
C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CN2C(=O)CSC2=S)[C@@H](O)OC(C)(C)C)C1	ZINC001144848761	1070448726	/nfs/dbraw/zinc/44/87/26/1070448726.db2.gz	WDGANYGDAKYXBD-HLNSEHPISA-N	2	0	462.638	0.142	20	10		JCCDRP
C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CN2C(=O)CSC2=S)[C@@H](O)OC(C)(C)C)C1	ZINC001144848762	1070448831	/nfs/dbraw/zinc/44/88/31/1070448831.db2.gz	WDGANYGDAKYXBD-NTLKJNNPSA-N	2	0	462.638	0.142	20	10		JCCDRP
C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CN2C(=O)CSC2=S)[C@H](O)OC(C)(C)C)C1	ZINC001144848763	1070448673	/nfs/dbraw/zinc/44/86/73/1070448673.db2.gz	WDGANYGDAKYXBD-UCQBOQSVSA-N	2	0	462.638	0.142	20	10		JCCDRP
C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2ccc3c(c2)-n2c(noc2=O)CO3)[C@H](O)OC(C)(C)C)C1	ZINC001170396206	1070089415	/nfs/dbraw/zinc/08/94/15/1070089415.db2.gz	ZXXBXCJGWBXIDH-IDDQBOGZSA-N	2	0	477.562	0.991	20	10		JCCDRP
C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2ccc3c(c2)-n2c(noc2=O)CO3)[C@H](O)OC(C)(C)C)C1	ZINC001170396208	1070089373	/nfs/dbraw/zinc/08/93/73/1070089373.db2.gz	ZXXBXCJGWBXIDH-LSGNBJAXSA-N	2	0	477.562	0.991	20	10		JCCDRP
C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2ccc3c(c2)-n2c(noc2=O)CO3)[C@@H](O)OC(C)(C)C)C1	ZINC001170396210	1070089431	/nfs/dbraw/zinc/08/94/31/1070089431.db2.gz	ZXXBXCJGWBXIDH-SQKIYFNWSA-N	2	0	477.562	0.991	20	10		JCCDRP
C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2ccc3c(c2)-n2c(noc2=O)CO3)[C@@H](O)OC(C)(C)C)C1	ZINC001170396213	1070089256	/nfs/dbraw/zinc/08/92/56/1070089256.db2.gz	ZXXBXCJGWBXIDH-XGUGEBNESA-N	2	0	477.562	0.991	20	10		JCCDRP