smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO[P@](=O)([O-])OC[C@H]3O[C@H](O)[C@H](O)[C@@H](O)[C@@H]3O)O2)c(=O)[nH]c1=O	ZINC000003843417	561684239	/nfs/dbraw/zinc/68/42/39/561684239.db2.gz	KBZGJHJIQVDVES-JSDFYWKGSA-N	-1	0	509.365	-2.255	1	10		KACFRM
[NH3+]CCC(=O)N[C@@H](Cc1cc(O)c(O)c(SC[C@H](NC(=O)CC[C@H]([NH3+])C(=O)[O-])C(=O)NCC(=O)[O-])c1)C(=O)[O-]	ZINC000006002214	561700863	/nfs/dbraw/zinc/70/08/63/561700863.db2.gz	YMBAJJVBBYVETD-AVGNSLFASA-N	-1	0	573.581	-2.472	1	10		KACFRM
[NH3+]CCC(=O)N[C@@H](Cc1cc(O)c(O)c(SC[C@@H](NC(=O)CC[C@H]([NH3+])C(=O)[O-])C(=O)NCC(=O)[O-])c1)C(=O)[O-]	ZINC000006002217	561700822	/nfs/dbraw/zinc/70/08/22/561700822.db2.gz	YMBAJJVBBYVETD-RWMBFGLXSA-N	-1	0	573.581	-2.472	1	10		KACFRM
[NH3+]CCC(=O)N[C@H](Cc1cc(O)c(O)c(SC[C@H](NC(=O)CC[C@H]([NH3+])C(=O)[O-])C(=O)NCC(=O)[O-])c1)C(=O)[O-]	ZINC000006002221	561700812	/nfs/dbraw/zinc/70/08/12/561700812.db2.gz	YMBAJJVBBYVETD-XQQFMLRXSA-N	-1	0	573.581	-2.472	1	10		KACFRM
[NH3+]CCC(=O)N[C@H](Cc1cc(O)c(O)c(SC[C@@H](NC(=O)CC[C@H]([NH3+])C(=O)[O-])C(=O)NCC(=O)[O-])c1)C(=O)[O-]	ZINC000006002227	561700867	/nfs/dbraw/zinc/70/08/67/561700867.db2.gz	YMBAJJVBBYVETD-YNEHKIRRSA-N	-1	0	573.581	-2.472	1	10		KACFRM
Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO[P@@](=O)([O-])OC[C@H]3O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]3O)O2)c(=O)[nH]c1=O	ZINC000014253122	561738523	/nfs/dbraw/zinc/73/85/23/561738523.db2.gz	KBZGJHJIQVDVES-URARBOGNSA-N	-1	0	509.365	-2.255	1	10		KACFRM
Nc1ccc(C[C@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)c2ccc(S(N)(=O)=O)cc2)C(=O)[O-])cc1	ZINC000027644812	561875665	/nfs/dbraw/zinc/87/56/65/561875665.db2.gz	VTJOZQNEBCZEMS-KRWDZBQOSA-N	-1	0	534.551	-2.310	1	10		KACFRM
COC(=O)C(=O)C(=O)c1ccc(C[C@@H](NC(C)=O)C(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(N)=O)[C@@H](C)O)cc1	ZINC000029403240	562020191	/nfs/dbraw/zinc/02/01/91/562020191.db2.gz	WFEWTBGBFAWONP-BASHZQIHSA-N	-1	0	663.681	-2.110	1	10		KACFRM
COC(=O)C(=O)C(=O)c1ccc(C[C@H](NC(C)=O)C(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(N)=O)[C@@H](C)O)cc1	ZINC000029403245	562020113	/nfs/dbraw/zinc/02/01/13/562020113.db2.gz	WFEWTBGBFAWONP-DEWCTDJKSA-N	-1	0	663.681	-2.110	1	10		KACFRM
Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO[P@](=O)([O-])OC[C@H]3O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]3O)O2)c(=O)[nH]c1=O	ZINC000031476375	562036211	/nfs/dbraw/zinc/03/62/11/562036211.db2.gz	KBZGJHJIQVDVES-KJYHTUBRSA-N	-1	0	509.365	-2.255	1	10		KACFRM
NC(=O)CC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)c1ccc2c(c1)C(=O)C(=O)c1ccccc1-2)C(=O)NCC(=O)[O-]	ZINC000049649396	562667880	/nfs/dbraw/zinc/66/78/80/562667880.db2.gz	OTHZQMVMFCZPJU-HJOGWXRNSA-N	-1	0	719.708	-1.845	1	10		KACFRM
Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO[P@@](=O)([O-])OC[C@H]3O[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]3O)O2)c(=O)[nH]c1=O	ZINC000084690570	562749632	/nfs/dbraw/zinc/74/96/32/562749632.db2.gz	KBZGJHJIQVDVES-GVFWWPKLSA-N	-1	0	509.365	-2.255	1	10		KACFRM
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CSC[C@H](NC(=O)CC[C@H]([NH3+])C(=O)[O-])C(=O)NCC(=O)[O-])C[C@@H]3O	ZINC000084858033	562753073	/nfs/dbraw/zinc/75/30/73/562753073.db2.gz	LZWDZFWNTFSAGM-PGODJVSRSA-N	-1	0	703.679	-1.228	1	10	in-vitro	KACFRM
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3SC[C@H](NC(=O)CC[C@H]([NH3+])C(=O)[O-])C(=O)NCC(=O)[O-]	ZINC000084858048	562753076	/nfs/dbraw/zinc/75/30/76/562753076.db2.gz	MUELJKGLEWMMHK-JDGHJNSRSA-N	-1	0	703.679	-1.228	1	10		KACFRM
Cc1cc(O)c2c(c1)C(=O)c1cc(OS(=O)(=O)[O-])cc(O[C@@H]3O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)c1C2=O	ZINC000095918824	560054899	/nfs/dbraw/zinc/05/48/99/560054899.db2.gz	YJQCYRDCKZTEMM-ZWGZVERISA-N	-1	0	512.445	-1.164	1	10	biogenic,in-vitro	KACFRM
NC(=O)CC[C@H](NC(=O)c1ccc2c(c1)-c1ccccc1C(=O)C2=O)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000096904434	562798356	/nfs/dbraw/zinc/79/83/56/562798356.db2.gz	NMKCKSQCOOCGBK-CQJMVLFOSA-N	-1	0	790.787	-2.211	1	10		KACFRM
NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)[O-])NC(=O)CNC(=O)c1ccc2c(c1)C(=O)C(=O)c1ccccc1-2)C(=O)NCC(=O)[O-]	ZINC000096904494	562798385	/nfs/dbraw/zinc/79/83/85/562798385.db2.gz	HDRLRVGIZCZAGM-SDHOMARFSA-N	-1	0	748.750	-1.248	1	10		KACFRM
NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCC(=O)[O-])NC(=O)c1ccc2c(c1)C(=O)C(=O)c1ccccc1-2)C(=O)NCC(=O)[O-]	ZINC000096904502	562798386	/nfs/dbraw/zinc/79/83/86/562798386.db2.gz	HMDAXRGMYLGNEH-SDHOMARFSA-N	-1	0	748.750	-1.248	1	10		KACFRM
NC(=[NH2+])NCCC[C@H](NC(=O)CNC(=O)c1ccc2c(c1)C(=O)C(=O)c1ccccc1-2)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)[O-])C(=O)NCC(=O)[O-]	ZINC000096904506	562798408	/nfs/dbraw/zinc/79/84/08/562798408.db2.gz	FWQJLERQQBQSLM-SDHOMARFSA-N	-1	0	748.750	-1.248	1	10		KACFRM
NC(=O)CC[C@H](NC(=O)c1ccc2c(c1)C(=O)C(=O)c1ccccc1-2)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)[O-]	ZINC000096904586	562798393	/nfs/dbraw/zinc/79/83/93/562798393.db2.gz	QRXYAJAHHIDAEM-CQJMVLFOSA-N	-1	0	790.787	-2.211	1	10		KACFRM
NC(=O)CC[C@H](NC(=O)CNC(=O)c1ccc2c(c1)-c1ccccc1C(=O)C2=O)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000096904658	562798424	/nfs/dbraw/zinc/79/84/24/562798424.db2.gz	KWKWVAJWAJNGMQ-HJOGWXRNSA-N	-1	0	719.708	-1.845	1	10		KACFRM
NC(=[NH2+])NCCC[C@H](NC(=O)c1ccc2c(c1)C(=O)C(=O)c1ccccc1-2)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)[O-])C(=O)NCC(=O)[O-]	ZINC000096904708	562798466	/nfs/dbraw/zinc/79/84/66/562798466.db2.gz	VKMIIJREOGRMPZ-SDHOMARFSA-N	-1	0	748.750	-1.248	1	10		KACFRM
C/C(=C\c1ccc(N(C)C)cc1)C(=O)N[C@H]1[C@@H](N(C)C)[C@@H]2O[C@@H](O[C@H](C(=O)[O-])[C@H](O)CO)O[C@@H]2[C@H](O)[C@H]1O	ZINC000103230317	562818149	/nfs/dbraw/zinc/81/81/49/562818149.db2.gz	LPVLOXICDYAAJH-FTJFNIASSA-N	-1	0	539.582	-1.803	1	10		KACFRM
C/C(=C\c1ccc(N(C)C)cc1)C(=O)N[C@H]1[C@@H](N(C)C)[C@@H]2O[C@@H](O[C@@H](C(=O)[O-])[C@H](O)CO)O[C@@H]2[C@H](O)[C@H]1O	ZINC000103230324	562818211	/nfs/dbraw/zinc/81/82/11/562818211.db2.gz	LPVLOXICDYAAJH-LUWAHSPISA-N	-1	0	539.582	-1.803	1	10		KACFRM
C/C(=C\c1ccc(N(C)C)cc1)C(=O)N[C@H]1[C@@H](N(C)C)[C@@H]2O[C@@H](O[C@@H](C(=O)[O-])[C@@H](O)CO)O[C@@H]2[C@H](O)[C@H]1O	ZINC000169308263	562854039	/nfs/dbraw/zinc/85/40/39/562854039.db2.gz	LPVLOXICDYAAJH-QKPDPFPWSA-N	-1	0	539.582	-1.803	1	10		KACFRM
C/C(=C\c1ccc(N(C)C)cc1)C(=O)N[C@H]1[C@@H](N(C)C)[C@@H]2O[C@@H](O[C@H](C(=O)[O-])[C@@H](O)CO)O[C@@H]2[C@H](O)[C@H]1O	ZINC000169308269	562854044	/nfs/dbraw/zinc/85/40/44/562854044.db2.gz	LPVLOXICDYAAJH-LWTHLLSHSA-N	-1	0	539.582	-1.803	1	10	in-vitro	KACFRM
CC(=O)N(c1ccc(N)cc1)[C@@H]1[C@H](O)O[C@@H](CO)[C@@H](O)[C@@H]1O[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)[O-])C(N)=O	ZINC000169325678	562857658	/nfs/dbraw/zinc/85/76/58/562857658.db2.gz	RLXZRURPUQERHT-LBYWEYFDSA-N	-1	0	583.595	-2.826	1	10		KACFRM
[N-]=[N+]=N[C@H]1[C@H](n2cnc3c2ncnc3N)O[C@H](CNS(=O)(=O)[N-]C(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)[C@H]1O	ZINC000473121409	562899422	/nfs/dbraw/zinc/89/94/22/562899422.db2.gz	PMAXSFXMDSHEOJ-FALSPVJTSA-O	-1	0	597.664	-1.559	1	10		KACFRM
[N-]=[N+]=N[C@@H]1[C@H](n2cnc3c2ncnc3N)O[C@H](CNS(=O)(=O)[N-]C(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)[C@H]1O	ZINC000473121421	562899418	/nfs/dbraw/zinc/89/94/18/562899418.db2.gz	PMAXSFXMDSHEOJ-ROPJLRCXSA-O	-1	0	597.664	-1.559	1	10		KACFRM