smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+](C)CCNC(=O)c1cccc2c(Nc3ccc(S(=O)(=O)NC(=N)N)cc3)c3ccccc3[nH+]c12	ZINC000005616074	561697522	/nfs/dbraw/zinc/69/75/22/561697522.db2.gz	SCZUITFXVHBLTM-UHFFFAOYSA-N	2	1	505.604	2.595	1	10		KFCFMP
O=C(CC[NH+]1CCCC[C@@H]1CO)Nc1ccc2c(c1)C(=O)c1ccc(NC(=O)CC[N@@H+]3CCCC[C@@H]3CO)cc1C2=O	ZINC000005842060	561699285	/nfs/dbraw/zinc/69/92/85/561699285.db2.gz	BUISKGYSTRTFJV-DNQXCXABSA-N	2	1	576.694	2.813	1	10		KFCFMP
O=C(CC[NH+]1CCCC[C@@H]1CO)Nc1ccc2c(c1)C(=O)c1ccc(NC(=O)CC[N@H+]3CCCC[C@H]3CO)cc1C2=O	ZINC000005842067	561699295	/nfs/dbraw/zinc/69/92/95/561699295.db2.gz	BUISKGYSTRTFJV-PSWAGMNNSA-N	2	1	576.694	2.813	1	10		KFCFMP
O=C(CC[NH+]1CCCC[C@@H]1CO)Nc1ccc2c(c1)C(=O)c1ccc(NC(=O)CC[N@@H+]3CCCC[C@H]3CO)cc1C2=O	ZINC000005842067	561699294	/nfs/dbraw/zinc/69/92/94/561699294.db2.gz	BUISKGYSTRTFJV-PSWAGMNNSA-N	2	1	576.694	2.813	1	10		KFCFMP
O=C(CC[NH+]1CCCC[C@H]1CO)Nc1ccc2c(c1)C(=O)c1ccc(NC(=O)CC[N@@H+]3CCCC[C@@H]3CO)cc1C2=O	ZINC000005842067	561699293	/nfs/dbraw/zinc/69/92/93/561699293.db2.gz	BUISKGYSTRTFJV-PSWAGMNNSA-N	2	1	576.694	2.813	1	10		KFCFMP
COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2[nH+]c2c(C(=O)NCC[NH2+]CCO)cccc12	ZINC000026170412	561769941	/nfs/dbraw/zinc/76/99/41/561769941.db2.gz	LUVAFPWCVYVHGO-UHFFFAOYSA-N	2	1	523.615	2.823	1	10		KFCFMP
O=C(CC[NH+]1CCCC[C@@H]1CO)Nc1ccc(NC(=O)CC[N@H+]2CCCC[C@H]2CO)c2c1C(=O)c1ccccc1C2=O	ZINC000026973111	561830526	/nfs/dbraw/zinc/83/05/26/561830526.db2.gz	SUCFZVMJRLKPNT-SZPZYZBQSA-N	2	1	576.694	2.813	1	10		KFCFMP
O=C(CC[NH+]1CCCC[C@@H]1CO)Nc1ccc(NC(=O)CC[N@@H+]2CCCC[C@H]2CO)c2c1C(=O)c1ccccc1C2=O	ZINC000026973111	561830524	/nfs/dbraw/zinc/83/05/24/561830524.db2.gz	SUCFZVMJRLKPNT-SZPZYZBQSA-N	2	1	576.694	2.813	1	10		KFCFMP
O=C(CC[NH+]1CCCC[C@H]1CO)Nc1ccc(NC(=O)CC[N@@H+]2CCCC[C@@H]2CO)c2c1C(=O)c1ccccc1C2=O	ZINC000026973111	561830522	/nfs/dbraw/zinc/83/05/22/561830522.db2.gz	SUCFZVMJRLKPNT-SZPZYZBQSA-N	2	1	576.694	2.813	1	10		KFCFMP
O=C(CC[NH+]1CCCC[C@@H]1CO)Nc1ccc(NC(=O)CC[N@@H+]2CCCC[C@@H]2CO)c2c1C(=O)c1ccccc1C2=O	ZINC000026973118	561830561	/nfs/dbraw/zinc/83/05/61/561830561.db2.gz	SUCFZVMJRLKPNT-FGZHOGPDSA-N	2	1	576.694	2.813	1	10		KFCFMP
COc1ccc2[nH+]c3cc(Cl)ccc3c(NCCCCCCNC(=O)CCCNC(=O)CNC(=O)[C@@H](N)CCCNC(N)=[NH2+])c2c1	ZINC000028713302	561953921	/nfs/dbraw/zinc/95/39/21/561953921.db2.gz	LGNKRJDSWGUSDE-VWLOTQADSA-N	2	1	656.232	2.742	1	10		KFCFMP
COc1ccc(C[NH2+][C@@H](C(=O)N[C@H](C(=O)NCc2ccc(OC)cc2O)C(C)C)[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]([NH3+])C(C)(C)C)cc1	ZINC000028759677	561957637	/nfs/dbraw/zinc/95/76/37/561957637.db2.gz	SNMBGRGMHNXGBE-KCGNSSGESA-N	2	1	691.870	2.787	1	10		KFCFMP
COc1ccc2[nH+]c3cc(Cl)ccc3c(NCCCCCCNC(=O)CCCNC(=O)CNC(=O)[C@H](N)CCCNC(N)=[NH2+])c2c1	ZINC000049946929	562695682	/nfs/dbraw/zinc/69/56/82/562695682.db2.gz	LGNKRJDSWGUSDE-RUZDIDTESA-N	2	1	656.232	2.742	1	10		KFCFMP
CNC(=[NH2+])N[C@H](CCCC(O)=CC(=O)CCc1cc(C[NH2+]C)c(O)c(OC2CCCC2)c1)CCn1ccnc1	ZINC000085626958	560069123	/nfs/dbraw/zinc/06/91/23/560069123.db2.gz	AWVBZPFGXSBENQ-HSZRJFAPSA-O	2	1	541.717	2.882	1	10	biogenic,in-vitro	KFCFMP