smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NC(=O)[C@H]1C[C@H](NC(=O)[C@@H]([NH3+])CCCNC(N)=N[N+](=O)[O-])C[NH2+]1	ZINC000012501566	211393240	/nfs/dbraw/zinc/39/32/40/211393240.db2.gz	IUFRDGFKAVLPFZ-BIIVOSGPSA-N	2	0	330.349	-3.478	1	30		EAEFRP
NC(=O)[C@H](CCC[NH3+])NC(=O)[C@@H]([NH3+])CCCNC(N)=N[N+](=O)[O-]	ZINC000013531432	201899197	/nfs/dbraw/zinc/89/91/97/201899197.db2.gz	HKTCWNTUEVRSHC-YUMQZZPRSA-N	2	0	332.365	-3.101	1	30		EAEFRP
NC(=O)[C@@H](CCC[NH3+])NC(=O)[C@@H]([NH3+])CCCNC(N)=N[N+](=O)[O-]	ZINC000013799773	211640321	/nfs/dbraw/zinc/64/03/21/211640321.db2.gz	HKTCWNTUEVRSHC-JGVFFNPUSA-N	2	0	332.365	-3.101	1	30		EAEFRP
CC1(C)O[C@@H]2CO[C@@]3(CNC(=[NH2+])NC(N)=[NH2+])OC(C)(C)O[C@@H]3[C@@H]2O1	ZINC000026190130	212510283	/nfs/dbraw/zinc/51/02/83/212510283.db2.gz	QGIAZFQVDKXZPS-MSLVZZLFSA-N	2	0	343.384	-1.027	1	30		EAEFRP
CN(C(=O)C[C@@H]([NH3+])CCCC[NH3+])[C@@H]1CNC(=NC(N)=O)NC1=O	ZINC000026491522	202143679	/nfs/dbraw/zinc/14/36/79/202143679.db2.gz	XZADXHLFRKVBKO-DTWKUNHWSA-N	2	0	327.389	-1.982	1	30		EAEFRP
C[C@H]([NH3+])CC[C@H]([NH3+])CC(=O)N(C)[C@@H]1CNC(=NC(N)=O)NC1=O	ZINC000026497312	202143915	/nfs/dbraw/zinc/14/39/15/202143915.db2.gz	RSOWUVVRECQPGV-XHNCKOQMSA-N	2	0	327.389	-1.983	1	30		EAEFRP
CN(C(=O)C[C@@H]([NH3+])CC(=O)CC[NH3+])[C@@H]1CNC(=NC(N)=O)NC1=O	ZINC000026497707	202144487	/nfs/dbraw/zinc/14/44/87/202144487.db2.gz	YYIWGWAGWDNTCI-IONNQARKSA-N	2	0	341.372	-2.803	1	30		EAEFRP
CN(C(=O)C[C@@H]([NH3+])CC[C@H]([NH3+])CO)[C@H]1CNC(=NC(N)=O)NC1=O	ZINC000026501441	202143746	/nfs/dbraw/zinc/14/37/46/202143746.db2.gz	VTXJFBXGSXNZCF-CIUDSAMLSA-N	2	0	343.388	-3.011	1	30		EAEFRP
CN(C(=O)C[C@@H]([NH3+])CSCC[NH3+])[C@@H]1CNC(=NC(N)=O)NC1=O	ZINC000026637753	202146666	/nfs/dbraw/zinc/14/66/66/202146666.db2.gz	VXYWEPWYGOBWJC-HTQZYQBOSA-N	2	0	345.429	-2.419	1	30		EAEFRP
NC(=O)[C@H](CCCNC(N)=N[N+](=O)[O-])NC(=O)[C@@H]([NH3+])CCCC[NH3+]	ZINC000026846641	212537823	/nfs/dbraw/zinc/53/78/23/212537823.db2.gz	NRDGOJQPHWAEES-IUCAKERBSA-N	2	0	346.392	-2.711	1	30		EAEFRP
NC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)[C@H]([NH3+])CCCNC(N)=N[N+](=O)[O-]	ZINC000027764384	202160090	/nfs/dbraw/zinc/16/00/90/202160090.db2.gz	QLHNGUCBVCLFHA-RNJXMRFFSA-N	2	0	330.349	-3.397	1	30		EAEFRP
NC(=[NH2+])NCCC[C@H]([NH3+])COC(=O)NCC(=O)NCCOC(N)=O	ZINC000028525647	212623086	/nfs/dbraw/zinc/62/30/86/212623086.db2.gz	VQRNDZTZWFMBNA-QMMMGPOBSA-N	2	0	347.376	-2.695	1	30		EAEFRP
CC[NH2+]C[C@H]1O[C@@H](n2cnc3c2ncnc3NC(N)=[NH2+])[C@H](O)[C@@H]1O	ZINC000029052415	202180733	/nfs/dbraw/zinc/18/07/33/202180733.db2.gz	UICFBMWXKSHXKU-WOUKDFQISA-N	2	0	336.356	-2.040	1	30		EAEFRP
NC(=O)[C@H]1[NH2+]CC[C@@H]1NC(=O)[C@@H]([NH3+])CCCNC(N)=N[N+](=O)[O-]	ZINC000034947221	202281946	/nfs/dbraw/zinc/28/19/46/202281946.db2.gz	QHTNDEDTVTZXFK-FXQIFTODSA-N	2	0	330.349	-3.478	1	30		EAEFRP
NC(=O)[C@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]([NH3+])CCCNC(N)=N[N+](=O)[O-]	ZINC000035064499	213007205	/nfs/dbraw/zinc/00/72/05/213007205.db2.gz	QHTNDEDTVTZXFK-RNJXMRFFSA-N	2	0	330.349	-3.478	1	30		EAEFRP
CC1(C)O[C@H]2O[C@H](CNC(=[NH2+])NC(N)=[NH2+])[C@H]3OC(C)(C)O[C@@H]3[C@H]2O1	ZINC000040441867	213303785	/nfs/dbraw/zinc/30/37/85/213303785.db2.gz	QEVWAIQRFHKFGK-HOTMZDKISA-N	2	0	343.384	-1.029	1	30		EAEFRP
CC1(C)O[C@H]2O[C@H](CNC(=[NH2+])NC(N)=[NH2+])[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O1	ZINC000040441869	213303971	/nfs/dbraw/zinc/30/39/71/213303971.db2.gz	QEVWAIQRFHKFGK-SOYHJAILSA-N	2	0	343.384	-1.029	1	30		EAEFRP
NC(=O)[C@H]1C[C@H]([NH3+])CN1C(=O)[C@H]([NH3+])CCCNC(N)=N[N+](=O)[O-]	ZINC000040514651	213330552	/nfs/dbraw/zinc/33/05/52/213330552.db2.gz	QLHNGUCBVCLFHA-XLPZGREQSA-N	2	0	330.349	-3.397	1	30		EAEFRP
CN(C(=O)C[C@@H]([NH3+])CCCNC(N)=[NH2+])C1CNC(=NC(N)=O)NC1	ZINC000066075041	215006440	/nfs/dbraw/zinc/00/64/40/215006440.db2.gz	CWESHIQMHSWEES-QMMMGPOBSA-N	2	0	341.420	-2.578	1	30		EAEFRP
C[NH2+][C@@H](CCCC[NH3+])CC(=O)N(C)[C@@H]1CNC(=NC(N)=O)NC1=O	ZINC000066099112	215010456	/nfs/dbraw/zinc/01/04/56/215010456.db2.gz	QMDLDWGIELZCBH-VHSXEESVSA-N	2	0	341.416	-1.085	1	30		EAEFRP
C[NH2+][C@@H](CCCC[NH3+])CC(=O)N(C)[C@H]1CNC(=NC(N)=O)NC1=O	ZINC000066099114	202878938	/nfs/dbraw/zinc/87/89/38/202878938.db2.gz	QMDLDWGIELZCBH-UWVGGRQHSA-N	2	0	341.416	-1.085	1	30		EAEFRP
CN(C(=O)C[C@@H]([NH3+])C[C@@H]1CC[NH2+]C1)[C@H]1CNC(=NC(N)=O)NC1=O	ZINC000066136627	215015427	/nfs/dbraw/zinc/01/54/27/215015427.db2.gz	KMLRRSMCDBXGII-GUBZILKMSA-N	2	0	339.400	-1.475	1	30		EAEFRP
CN(C(=O)C[C@@H]([NH3+])C[C@H]1CC[NH2+]C1)[C@@H]1CNC(=NC(N)=O)NC1=O	ZINC000066157135	215018399	/nfs/dbraw/zinc/01/83/99/215018399.db2.gz	KMLRRSMCDBXGII-KXUCPTDWSA-N	2	0	339.400	-1.475	1	30		EAEFRP
CN(C(=O)C[C@@H]([NH3+])C[C@H]1CC[NH2+]C1)[C@H]1CNC(=NC(N)=O)NC1=O	ZINC000066157137	215017997	/nfs/dbraw/zinc/01/79/97/215017997.db2.gz	KMLRRSMCDBXGII-UTLUCORTSA-N	2	0	339.400	-1.475	1	30		EAEFRP
NC(=[NH2+])NCCCC(NC(=O)[C@H]([NH3+])CCCNC(N)=[NH2+])C(=O)[O-]	ZINC000100385878	574417333	/nfs/dbraw/zinc/41/73/33/574417333.db2.gz	LEANBUSNEHJUBA-SSDOTTSWSA-N	2	0	330.393	-2.178	1	30	endogenous,in-vitro	EAEFRP
NC(=[NH2+])NCCCC(NC(=O)[C@@H]([NH3+])CCCNC(N)=[NH2+])C(=O)[O-]	ZINC000100385881	574417337	/nfs/dbraw/zinc/41/73/37/574417337.db2.gz	LEANBUSNEHJUBA-ZETCQYMHSA-N	2	0	330.393	-2.178	1	30	endogenous,in-vitro	EAEFRP