smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(N(CC(=O)NCCCN2CC[NH+](C)CC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	ZINC000013670181	553481631	/nfs/dbraw/zinc/48/16/31/553481631.db2.gz	XUZKKUVQASAQOZ-UHFFFAOYSA-N	1	0	519.624	1.861	40	5		KDBBRO
CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000071788470	553639195	/nfs/dbraw/zinc/63/91/95/553639195.db2.gz	PPUGEVRMBYCGHM-GMAHTHKFSA-N	1	0	584.634	1.349	40	5		KDBBRO
COC(=O)N[C@@H](CC1CCCCC1)C(=O)NCC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000108609846	1066437693	/nfs/dbraw/zinc/43/76/93/1066437693.db2.gz	ZRXBRYKOGADHIN-PMACEKPBSA-N	1	0	562.628	1.093	40	5		KDBBRO
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)NCC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000150340898	571457958	/nfs/dbraw/zinc/45/79/58/571457958.db2.gz	CGGHMGOAVQFUNZ-FIXSFTCYSA-N	1	0	663.777	1.478	40	5		KDBBRO
COC(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)NCC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000150341001	571458062	/nfs/dbraw/zinc/45/80/62/571458062.db2.gz	RKRQEUOOFWPOJI-ZEQRLZLVSA-N	1	0	671.712	1.219	40	5		KDBBRO
NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H]1CCCCN1C(O)=C(N)Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC001560405231	1066430926	/nfs/dbraw/zinc/43/09/26/1066430926.db2.gz	YFHRQEMRWJMHKP-GOTSBHOMSA-N	1	0	551.628	1.937	40	5		KDBBRO
NC(=[NH2+])NCCC[C@H](NC(=O)[C@H]1CCCCN1C(O)=C(N)Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC001560405232	1066430962	/nfs/dbraw/zinc/43/09/62/1066430962.db2.gz	YFHRQEMRWJMHKP-XZOQPEGZSA-N	1	0	551.628	1.937	40	5		KDBBRO