smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CNC(=O)C[NH+]1CCC(NC(NC[C@H]2C[NH+]3CCN2CC3)=[NH+]C)CC1	ZINC000261635780	657842858	/nfs/dbraw/zinc/84/28/58/657842858.db2.gz	DFWUBQJQDQPAFF-HNNXBMFYSA-N	3	1	351.499	-1.638	20	30		FAEDMP
CNC(=O)C[NH+]1CCC(NC(NC[C@@H]2C[NH+]3CCN2CC3)=[NH+]C)CC1	ZINC000261635781	657843026	/nfs/dbraw/zinc/84/30/26/657843026.db2.gz	DFWUBQJQDQPAFF-OAHLLOKOSA-N	3	1	351.499	-1.638	20	30		FAEDMP
C[NH+]=C(NC[C@H]1C[N@@H+](C)CCN1C)N1CCN(c2cnn(C)c2)C(=O)C1	ZINC000261723717	482965493	/nfs/dbraw/zinc/96/54/93/482965493.db2.gz	KYRBLEMQQOMEFS-AWEZNQCLSA-N	2	1	362.482	-1.110	20	30		FAEDMP
C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCN1C)N1CCN(c2cnn(C)c2)C(=O)C1	ZINC000261723724	482965137	/nfs/dbraw/zinc/96/51/37/482965137.db2.gz	KYRBLEMQQOMEFS-CQSZACIVSA-N	2	1	362.482	-1.110	20	30		FAEDMP
C[NH+]=C(NCCN1C(=O)CNC1=O)N1CC[NH+](C[C@H]2CCOC2)CC1	ZINC000261775290	657848141	/nfs/dbraw/zinc/84/81/41/657848141.db2.gz	PPCPHOHHAKRYAB-CYBMUJFWSA-N	2	1	352.439	-1.232	20	30		FAEDMP
C[NH+]=C(NCCN1C(=O)CNC1=O)N1CC[NH+](C[C@@H]2CCOC2)CC1	ZINC000261775294	657848184	/nfs/dbraw/zinc/84/81/84/657848184.db2.gz	PPCPHOHHAKRYAB-ZDUSSCGKSA-N	2	1	352.439	-1.232	20	30		FAEDMP
[NH2+]=C(NCCC[NH+]1CCOCC1)NCCNS(=O)(=O)c1cccnc1	ZINC000305217026	658904384	/nfs/dbraw/zinc/90/43/84/658904384.db2.gz	RNLIQMLJBMAMLW-UHFFFAOYSA-N	2	1	370.479	-1.014	20	30		FAEDMP
CCN1CCO[C@H](C(=O)NCC#CCNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1	ZINC000680340085	483797863	/nfs/dbraw/zinc/79/78/63/483797863.db2.gz	UYXUXOFNDJSBQA-HOTGVXAUSA-N	2	1	366.462	-1.336	20	30		FAEDMP
CCN1CCO[C@H](C(=O)NCC#CCNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1	ZINC000680340085	483797861	/nfs/dbraw/zinc/79/78/61/483797861.db2.gz	UYXUXOFNDJSBQA-HOTGVXAUSA-N	2	1	366.462	-1.336	20	30		FAEDMP
CCN1CCO[C@@H](C(=O)NCC#CCNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1	ZINC000680340086	483797844	/nfs/dbraw/zinc/79/78/44/483797844.db2.gz	UYXUXOFNDJSBQA-HZPDHXFCSA-N	2	1	366.462	-1.336	20	30		FAEDMP
CCN1CCO[C@@H](C(=O)NCC#CCNC(=O)[C@H]2C[N@H+](CC)CCO2)C1	ZINC000680340086	483797843	/nfs/dbraw/zinc/79/78/43/483797843.db2.gz	UYXUXOFNDJSBQA-HZPDHXFCSA-N	2	1	366.462	-1.336	20	30		FAEDMP
C#CC[N@@H+](C)CCCNC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1	ZINC000841911017	658667654	/nfs/dbraw/zinc/66/76/54/658667654.db2.gz	WIXACKCEVIVUHI-UHFFFAOYSA-N	2	1	357.480	-1.430	20	30		FAEDMP
C#CC[N@H+](C)CCCNC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1	ZINC000841911017	658667652	/nfs/dbraw/zinc/66/76/52/658667652.db2.gz	WIXACKCEVIVUHI-UHFFFAOYSA-N	2	1	357.480	-1.430	20	30		FAEDMP
C[NH+](C)CCOCC(=O)N1C[C@H]2C[N@@H+](CC(=O)NCC#N)C[C@@]2(C)C1	ZINC001101431176	792605694	/nfs/dbraw/zinc/60/56/94/792605694.db2.gz	BQBOYVHMMZMUNT-PBHICJAKSA-N	2	1	351.451	-1.015	20	30		FAEDMP
C[NH+](C)CCOCC(=O)N1C[C@H]2C[N@H+](CC(=O)NCC#N)C[C@@]2(C)C1	ZINC001101431176	792605690	/nfs/dbraw/zinc/60/56/90/792605690.db2.gz	BQBOYVHMMZMUNT-PBHICJAKSA-N	2	1	351.451	-1.015	20	30		FAEDMP
C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1	ZINC001130184285	790800535	/nfs/dbraw/zinc/80/05/35/790800535.db2.gz	JWLQKJVZPWSRQO-FRRDWIJNSA-N	2	1	355.439	-1.188	20	30		FAEDMP
C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1	ZINC001130184285	790800526	/nfs/dbraw/zinc/80/05/26/790800526.db2.gz	JWLQKJVZPWSRQO-FRRDWIJNSA-N	2	1	355.439	-1.188	20	30		FAEDMP
C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1	ZINC001130184286	790799302	/nfs/dbraw/zinc/79/93/02/790799302.db2.gz	JWLQKJVZPWSRQO-JHJVBQTASA-N	2	1	355.439	-1.188	20	30		FAEDMP
C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1	ZINC001130184286	790799294	/nfs/dbraw/zinc/79/92/94/790799294.db2.gz	JWLQKJVZPWSRQO-JHJVBQTASA-N	2	1	355.439	-1.188	20	30		FAEDMP
C=CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1	ZINC001160862288	792907265	/nfs/dbraw/zinc/90/72/65/792907265.db2.gz	LJXBVZPSJJULCM-CHWSQXEVSA-N	2	1	355.439	-1.187	20	30		FAEDMP
C=CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1	ZINC001160862288	792907261	/nfs/dbraw/zinc/90/72/61/792907261.db2.gz	LJXBVZPSJJULCM-CHWSQXEVSA-N	2	1	355.439	-1.187	20	30		FAEDMP
C#C[C@](C)([NH3+])C(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@H]1O	ZINC001218779221	793187830	/nfs/dbraw/zinc/18/78/30/793187830.db2.gz	KPAVFJWPZVLUQR-FCHSOHFDSA-N	2	1	352.826	-1.019	20	30		FAEDMP
C#C[C@](C)([NH3+])C(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@@H]1O	ZINC001218779223	793188111	/nfs/dbraw/zinc/18/81/11/793188111.db2.gz	KPAVFJWPZVLUQR-FTGAXOIBSA-N	2	1	352.826	-1.019	20	30		FAEDMP
C#C[C@](C)([NH3+])C(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@H]1O	ZINC001218779225	793188165	/nfs/dbraw/zinc/18/81/65/793188165.db2.gz	KPAVFJWPZVLUQR-WMFXKJRFSA-N	2	1	352.826	-1.019	20	30		FAEDMP
C#C[C@](C)([NH3+])C(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@@H]1O	ZINC001218779226	793187820	/nfs/dbraw/zinc/18/78/20/793187820.db2.gz	KPAVFJWPZVLUQR-YHAQOWFVSA-N	2	1	352.826	-1.019	20	30		FAEDMP
N#Cc1cccc(C[C@H]([NH3+])C(=O)NCCS(=O)(=O)N2CC[NH2+]CC2)c1	ZINC001219676452	793580222	/nfs/dbraw/zinc/58/02/22/793580222.db2.gz	KXQCIPWQKSCEBB-HNNXBMFYSA-N	2	1	365.459	-1.221	20	30		FAEDMP
N#Cc1ccccc1C[C@H]([NH3+])C(=O)NCCS(=O)(=O)N1CC[NH2+]CC1	ZINC001219678521	793581932	/nfs/dbraw/zinc/58/19/32/793581932.db2.gz	RGPMXSAPWCCWEM-HNNXBMFYSA-N	2	1	365.459	-1.221	20	30		FAEDMP
C[C@@H]1[C@H](C(=O)N2CCC(O)(C[NH2+]CC(=O)NCC#N)CC2)CC[N@H+]1C	ZINC001281613033	794134703	/nfs/dbraw/zinc/13/47/03/794134703.db2.gz	IPGWGSBKJDWWKY-ZIAGYGMSSA-N	2	1	351.451	-1.091	20	30		FAEDMP