smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)CN(CC(=O)N[C@H](C=O)CCCNC(N)=[NH2+])C(=O)[C@H]1CCCC[NH2+]1	ZINC000026567064	207316326	/nfs/dbraw/zinc/31/63/26/207316326.db2.gz	HDAADYLGQPPNGJ-LSDHHAIUSA-N	2	0	382.509	-0.650	1	30		GBEFRP
CN(CCCCCCNC(N)=[NH2+])C(=O)CC(=O)NCCCC[NH2+]CCC[NH3+]	ZINC000026731939	207317437	/nfs/dbraw/zinc/31/74/37/207317437.db2.gz	UMXMYSFCBZGTSH-UHFFFAOYSA-N	2	0	385.557	-0.497	1	30		GBEFRP
NC(=[NH2+])NCCCCCCNC(=O)CCC(=O)NCCCC[NH2+]CCC[NH3+]	ZINC000026735500	207317987	/nfs/dbraw/zinc/31/79/87/207317987.db2.gz	IFZDNJBEHCRJJH-UHFFFAOYSA-N	2	0	385.557	-0.449	1	30		GBEFRP
NC(=[NH2+])NCCCCCCNC(=O)C=CC(=O)NCCCC[NH2+]CCC[NH3+]	ZINC000026737243	207317204	/nfs/dbraw/zinc/31/72/04/207317204.db2.gz	NUDRHMJSYKVVOK-CMDGGOBGSA-N	2	0	383.541	-0.673	1	30		GBEFRP
NC(=[NH2+])NCCCCCCNC(=O)[C@@H](F)C(=O)NCCCC[NH2+]CCC[NH3+]	ZINC000026743005	207318117	/nfs/dbraw/zinc/31/81/17/207318117.db2.gz	ZWNUSKPHVGEFLK-CQSZACIVSA-N	2	0	389.520	-0.891	1	30		GBEFRP
C[C@@H](C[NH3+])C[NH2+]CCCCNC(=O)CC(=O)NCCCCCCNC(N)=[NH2+]	ZINC000027526224	207325888	/nfs/dbraw/zinc/32/58/88/207325888.db2.gz	IXWREPNRURCAIQ-HNNXBMFYSA-N	3	0	385.557	-0.593	1	30		GBEFRP
C[C@H](C[NH3+])C[NH2+]CCCCNC(=O)CC(=O)NCCCCCCNC(N)=[NH2+]	ZINC000027526226	207325375	/nfs/dbraw/zinc/32/53/75/207325375.db2.gz	IXWREPNRURCAIQ-OAHLLOKOSA-N	3	0	385.557	-0.593	1	30		GBEFRP
C[C@@H]([NH3+])CC[NH2+]CCCCNC(=O)CC(=O)NCCCCCCNC(N)=[NH2+]	ZINC000027526602	207325899	/nfs/dbraw/zinc/32/58/99/207325899.db2.gz	UZONLDZZXCINRA-OAHLLOKOSA-N	3	0	385.557	-0.450	1	30		GBEFRP
C[N@H+](CCC[NH3+])CCCCNC(=O)CC(=O)NCCCCCCNC(N)=[NH2+]	ZINC000027526917	207326254	/nfs/dbraw/zinc/32/62/54/207326254.db2.gz	QWLMSNKJRBATRA-UHFFFAOYSA-N	3	0	385.557	-0.497	1	30		GBEFRP
NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)OCc1ccccc1	ZINC000029347314	207359784	/nfs/dbraw/zinc/35/97/84/207359784.db2.gz	YASMBAXQXVPOLM-HOTGVXAUSA-N	3	0	392.504	-0.276	1	30		GBEFRP
CN(C(=O)C[C@@H]([NH3+])Cc1ccc(C(N)=[NH2+])cc1)[C@H]1CNC(=NC(N)=O)NC1=O	ZINC000066073833	211000825	/nfs/dbraw/zinc/00/08/25/211000825.db2.gz	MCHUNBVSNUWRPR-RYUDHWBXSA-N	2	0	388.432	-0.948	1	30		GBEFRP
NC(=[NH2+])NCCCCCCNC(=O)C=CC(=O)NCCCC[NH2+]CCC[NH3+]	ZINC000100856228	211392764	/nfs/dbraw/zinc/39/27/64/211392764.db2.gz	NUDRHMJSYKVVOK-HJWRWDBZSA-N	3	0	383.541	-0.673	1	30		GBEFRP