smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN1C(=O)[C@H]2[C@H]([NH+]=C(N3CCC[NH2+]CC3)N2Cc2ccccc2)N(C)C1=O	ZINC000036350336	205009656	/nfs/dbraw/zinc/00/96/56/205009656.db2.gz	BLGUSSSWRVVDJB-HZPDHXFCSA-N	2	0	370.457	0.372	1	0		FCAFRP
CC(C)(C)[C@@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NCc1ccc(C(N)=[NH2+])cc1	ZINC000045371100	205121592	/nfs/dbraw/zinc/12/15/92/205121592.db2.gz	KBFPFLDFFYRBOV-GJZGRUSLSA-N	2	0	359.474	0.951	1	0		FCAFRP
CN1C(=O)[C@@H]2[C@H]([NH+]=C(N3CC[C@H]([NH3+])C3)N2Cc2ccccc2)N(C)C1=O	ZINC000036350318	205010876	/nfs/dbraw/zinc/01/08/76/205010876.db2.gz	PATUVNYIKBJGHW-SOUVJXGZSA-N	2	0	356.430	0.110	1	0		FCAFRP
CN1C(=O)[C@@H]2[C@@H]([NH+]=C(N3CCC[NH2+]CC3)N2Cc2ccccc2)N(C)C1=O	ZINC000036350335	205010708	/nfs/dbraw/zinc/01/07/08/205010708.db2.gz	BLGUSSSWRVVDJB-HOTGVXAUSA-N	2	0	370.457	0.372	1	0		FCAFRP
CN1C(=O)[C@@H]2[C@@H]([NH+]=C(N3CCC[C@H]([NH3+])C3)N2Cc2ccccc2)N(C)C1=O	ZINC000036350323	205010994	/nfs/dbraw/zinc/01/09/94/205010994.db2.gz	CVVMYGKJTMJWCV-JYJNAYRXSA-N	2	0	370.457	0.500	1	0		FCAFRP
COCCNc1nc(OCCCCNC(N)=[NH2+])cc(OCC[NH+](C)C)n1	ZINC000040955144	205086224	/nfs/dbraw/zinc/08/62/24/205086224.db2.gz	VBONRUWMYMVZOW-UHFFFAOYSA-N	2	0	369.470	0.117	1	0		FCAFRP
CCCNC(=O)NCCC[NH2+]CCC[NH2+]CCCNC(=O)NCCC	ZINC000049035043	205168844	/nfs/dbraw/zinc/16/88/44/205168844.db2.gz	HYAGSTMBQSKMSF-UHFFFAOYSA-N	2	0	358.531	0.754	1	0		FCAFRP
CN1C(=O)[C@H]2[C@@H]([NH+]=C(N3CCC[NH2+]CC3)N2Cc2ccccc2)N(C)C1=O	ZINC000036350337	205011123	/nfs/dbraw/zinc/01/11/23/205011123.db2.gz	BLGUSSSWRVVDJB-CVEARBPZSA-N	2	0	370.457	0.372	1	0		FCAFRP
CCOc1c(C(=O)OC)cc(NC(N)=[NH2+])c(NC(C)=O)c1NC(N)=[NH2+]	ZINC000040955093	205086475	/nfs/dbraw/zinc/08/64/75/205086475.db2.gz	CPPJFXMTDLFRAP-UHFFFAOYSA-N	2	0	351.367	0.441	1	0		FCAFRP
CN1C(=O)[C@H]2[C@H]([NH+]=C(N3CC[C@@H]([NH3+])C3)N2Cc2ccccc2)N(C)C1=O	ZINC000169362281	206253934	/nfs/dbraw/zinc/25/39/34/206253934.db2.gz	PATUVNYIKBJGHW-RBSFLKMASA-N	2	0	356.430	0.110	1	0		FCAFRP
CN(C(=O)C[C@@H]([NH3+])CCCC[NH3+])[C@H]1CNC(Nc2ccccc2)=NC1=O	ZINC000026577518	204852420	/nfs/dbraw/zinc/85/24/20/204852420.db2.gz	VOKBHZHJLWLGEJ-ZFWWWQNUSA-N	2	0	360.462	0.258	1	0		FCAFRP
CCCCNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CCCC[NH3+])NC(C)=O	ZINC000096930000	209162456	/nfs/dbraw/zinc/16/24/56/209162456.db2.gz	WRLLQSWZWKPIIO-HOTGVXAUSA-N	2	0	371.526	0.150	1	0		FCAFRP
CN1C(=O)[C@@H]2[C@@H]([NH+]=C(N3CC[C@H]([NH3+])C3)N2Cc2ccccc2)N(C)C1=O	ZINC000036350319	208155186	/nfs/dbraw/zinc/15/51/86/208155186.db2.gz	PATUVNYIKBJGHW-KKUMJFAQSA-N	2	0	356.430	0.110	1	0		FCAFRP
[NH3+]CCC[NH2+]CCCC[NH2+]CCCNC(=O)c1ccc(C(=O)[O-])cc1	ZINC000013645789	211045944	/nfs/dbraw/zinc/04/59/44/211045944.db2.gz	ZLOBXIIYJHNOPI-UHFFFAOYSA-N	2	0	350.463	0.813	1	0		FCAFRP
COC(=O)c1ccc(C(=O)NCCC[NH2+]CCCC[NH2+]CCC[NH3+])cc1	ZINC000013645785	211046350	/nfs/dbraw/zinc/04/63/50/211046350.db2.gz	NFMYWPCUTOYNSC-UHFFFAOYSA-N	3	0	364.490	0.901	1	0		FCAFRP
CN(C(=O)C[C@@H]([NH3+])CCCC[NH3+])[C@@H]1CNC(Nc2ccccc2)=NC1=O	ZINC000026577517	211449962	/nfs/dbraw/zinc/44/99/62/211449962.db2.gz	VOKBHZHJLWLGEJ-DZGCQCFKSA-N	2	0	360.462	0.258	1	0		FCAFRP
CN1C(=O)[C@@H]2[C@H]([NH+]=C(N3CCC[C@@H]([NH3+])C3)N2Cc2ccccc2)N(C)C1=O	ZINC000169361976	222566231	/nfs/dbraw/zinc/56/62/31/222566231.db2.gz	CVVMYGKJTMJWCV-OWCLPIDISA-N	2	0	370.457	0.500	1	0		FCAFRP
CN1C(=O)[C@H]2[C@@H]([NH+]=C(N3CCC[C@@H]([NH3+])C3)N2Cc2ccccc2)N(C)C1=O	ZINC000169361975	222566295	/nfs/dbraw/zinc/56/62/95/222566295.db2.gz	CVVMYGKJTMJWCV-OAGGEKHMSA-N	2	0	370.457	0.500	1	0		FCAFRP
Nc1cccc(-c2ccc(C(=O)N[C@H](CC[NH3+])C(=O)N3CC[NH2+]CC3)o2)c1	ZINC000028397767	220573398	/nfs/dbraw/zinc/57/33/98/220573398.db2.gz	WEPQTDPKMVYVAO-OAHLLOKOSA-N	2	0	371.441	0.408	1	0		FCAFRP
CCNC(=S)NCCC[NH2+]CCC[NH2+]CCCNC(=S)NCC	ZINC000049036181	221018040	/nfs/dbraw/zinc/01/80/40/221018040.db2.gz	DGSHTGAIXAFEJS-UHFFFAOYSA-N	2	0	362.613	0.304	1	0		FCAFRP