smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc2c3c(n(CCC[NH2+]CCC[NH3+])c(=O)c2cc1OC)-c1cc2c(cc1C3=O)OCO2	ZINC000027647169	563048460	/nfs/dbraw/zinc/04/84/60/563048460.db2.gz	ZHASIPINVXWTEX-UHFFFAOYSA-N	2	0	465.506	2.287	1	10		JECFRP
CC1(C)NC(=[NH2+])NC(=N)N1c1ccc(N=Nc2ccc(N3C(=N)NC(=[NH2+])NC3(C)C)cc2)cc1	ZINC000029410672	563103192	/nfs/dbraw/zinc/10/31/92/563103192.db2.gz	VAZPERVWKACDRY-QNEJGDQOSA-N	2	0	460.550	2.473	1	10		JECFRP
CNC(=O)c1cc2c(s1)c(NCC[NH2+]C)c1c(c2NCC[NH2+]C)C(=O)c2ccccc2C1=O	ZINC000040892363	563153282	/nfs/dbraw/zinc/15/32/82/563153282.db2.gz	GSQDOVQGJNFZDX-UHFFFAOYSA-N	2	0	465.579	2.299	1	10		JECFRP
CCC[NH2+]C[C@H](O)CNc1ccc(NC[C@H](O)C[NH2+]CCC)c2c1C(=O)c1ccccc1C2=O	ZINC000005763074	562934824	/nfs/dbraw/zinc/93/48/24/562934824.db2.gz	WCRQCMGSZFHMTN-HDICACEKSA-N	2	0	468.598	2.007	1	10		JECFRP
CCC[NH2+]C[C@H](O)CNc1ccc(NC[C@@H](O)C[NH2+]CCC)c2c1C(=O)c1ccccc1C2=O	ZINC000005763080	562934805	/nfs/dbraw/zinc/93/48/05/562934805.db2.gz	WCRQCMGSZFHMTN-ROUUACIJSA-N	2	0	468.598	2.007	1	10		JECFRP
CN(CCNc1c2ccsc2c(NCCN(C)C(N)=[NH2+])c2c1C(=O)c1ccccc1C2=O)C(N)=[NH2+]	ZINC000040895945	563153954	/nfs/dbraw/zinc/15/39/54/563153954.db2.gz	LKPFXAMYXKUKBD-UHFFFAOYSA-N	2	0	492.609	2.151	1	10		JECFRP
CCC[NH2+]C[C@@H](O)CNc1ccc(NC[C@H](O)C[NH2+]CCC)c2c1C(=O)c1ccccc1C2=O	ZINC000005763078	562934789	/nfs/dbraw/zinc/93/47/89/562934789.db2.gz	WCRQCMGSZFHMTN-QZTJIDSGSA-N	2	0	468.598	2.007	1	10		JECFRP
[NH3+]COc1cc(CCC(=O)C[C@H](O)CCc2cc(O)c(O)c(OC3CC[NH2+]CC3)c2)ccc1O	ZINC000085625504	291476181	/nfs/dbraw/zinc/47/61/81/291476181.db2.gz	XFVLJSMBXFYIFT-LJQANCHMSA-N	2	0	474.554	2.115	1	10	biogenic,in-vitro	JECFRP