smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc([N+](=O)[O-])nn1[C@@H](C)C(=O)N[C@H]1C(=O)N2C(C(=O)[O-])=C(CSc3nnnn3C)CS[C@H]12	ZINC000009431474	553260933	/nfs/dbraw/zinc/26/09/33/553260933.db2.gz	XXQHIEVIGDPRPS-PEGZWESCSA-N	-1	0	509.530	-0.285	40	5		KBBBRM
Cc1cc([N+](=O)[O-])nn1[C@@H](C)C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(CSc3nnnn3C)CS[C@H]12	ZINC000009431478	553260956	/nfs/dbraw/zinc/26/09/56/553260956.db2.gz	XXQHIEVIGDPRPS-IYYOCNSZSA-N	-1	0	509.530	-0.285	40	5		KBBBRM
C[C@H](NC(=O)CCC(=O)[O-])C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000071788483	553639499	/nfs/dbraw/zinc/63/94/99/553639499.db2.gz	DKQHAQUESIKHGC-XSWJXKHESA-N	-1	0	548.553	-0.097	40	5		KBBBRM
COc1nn([C@@H](C)C(=O)N[C@H]2C(=O)N3C(C(=O)[O-])=C(CSc4nnnn4C)CS[C@H]23)cc1[N+](=O)[O-]	ZINC000097945381	553771688	/nfs/dbraw/zinc/77/16/88/553771688.db2.gz	SPVNGDNLBRMTCU-GMWGIVOKSA-N	-1	0	525.529	-0.585	40	5		KBBBRM
COc1nn([C@@H](C)C(=O)N[C@@H]2C(=O)N3C(C(=O)[O-])=C(CSc4nnnn4C)CS[C@H]23)cc1[N+](=O)[O-]	ZINC000097945383	553771679	/nfs/dbraw/zinc/77/16/79/553771679.db2.gz	SPVNGDNLBRMTCU-VYSGVJLMSA-N	-1	0	525.529	-0.585	40	5		KBBBRM
C[C@@H](NC(=O)[C@H](C)NC(=O)CCC(=O)[O-])C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000255969423	572304380	/nfs/dbraw/zinc/30/43/80/572304380.db2.gz	DKQHAQUESIKHGC-AFIMGQEJSA-N	-1	0	548.553	-0.097	40	5		KBBBRM
C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)CCC(=O)[O-])C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000255969424	572304337	/nfs/dbraw/zinc/30/43/37/572304337.db2.gz	DKQHAQUESIKHGC-BORJPKMPSA-N	-1	0	548.553	-0.097	40	5		KBBBRM
C[C@@H](NC(=O)[C@H]1CCCN1C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)CCC(=O)[O-])C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000255969425	572304353	/nfs/dbraw/zinc/30/43/53/572304353.db2.gz	DKQHAQUESIKHGC-LUXYFRNMSA-N	-1	0	548.553	-0.097	40	5		KBBBRM
C[C@@H](NC(=O)[C@H](C)NC(=O)CCC(=O)[O-])C(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000255969426	572304340	/nfs/dbraw/zinc/30/43/40/572304340.db2.gz	DKQHAQUESIKHGC-OIPACUDHSA-N	-1	0	548.553	-0.097	40	5		KBBBRM