smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)C[NH3+])C(=O)[O-]	ZINC000004545896	526817806	/nfs/dbraw/zinc/81/78/06/526817806.db2.gz	FJPHHBGPPJXISY-KBPBESRZSA-N	1	0	451.484	-2.673	50	0		JAAARO
NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)C[NH3+])C(=O)[O-]	ZINC000004545897	526817618	/nfs/dbraw/zinc/81/76/18/526817618.db2.gz	FJPHHBGPPJXISY-UONOGXRCSA-N	1	0	451.484	-2.673	50	0		JAAARO
CC(C)C[C@H](NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H]([NH3+])Cc1cnc[nH]1)C(=O)NCC(=O)OC(C)(C)C	ZINC000008739970	554641747	/nfs/dbraw/zinc/64/17/47/554641747.db2.gz	LFJOXOGCQDNJIX-OWCLPIDISA-N	1	0	495.581	-1.372	50	0	biogenic	JAAARO
CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]([NH3+])Cc1cnc[nH]1)C(=O)NCC(=O)OC(C)(C)C	ZINC000008739973	554641786	/nfs/dbraw/zinc/64/17/86/554641786.db2.gz	LFJOXOGCQDNJIX-PMPSAXMXSA-N	1	0	495.581	-1.372	50	0	biogenic	JAAARO
C[NH+](C)CCNC(=O)C(=O)NC[C@H]1OCCCN1S(=O)(=O)c1ccc2c(c1)OCCO2	ZINC000009576824	555374271	/nfs/dbraw/zinc/37/42/71/555374271.db2.gz	RKWBRXGPVAGDEN-QGZVFWFLSA-N	1	0	456.521	-1.011	50	0		JAAARO
C[NH+](C)CCNC(=O)C(=O)NC[C@@H]1OCCCN1S(=O)(=O)c1ccc2c(c1)OCCO2	ZINC000009576828	555374225	/nfs/dbraw/zinc/37/42/25/555374225.db2.gz	RKWBRXGPVAGDEN-KRWDZBQOSA-N	1	0	456.521	-1.011	50	0		JAAARO
CC(C)C[C@H](NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H]([NH3+])Cc1cnc[nH]1)C(=O)NCC(=O)OC(C)(C)C	ZINC000012652272	195076773	/nfs/dbraw/zinc/07/67/73/195076773.db2.gz	LFJOXOGCQDNJIX-HRCADAONSA-N	1	0	495.581	-1.372	50	0	biogenic	JAAARO
CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]([NH3+])Cc1cnc[nH]1)C(=O)NCC(=O)OC(C)(C)C	ZINC000012652280	195076845	/nfs/dbraw/zinc/07/68/45/195076845.db2.gz	LFJOXOGCQDNJIX-JYJNAYRXSA-N	1	0	495.581	-1.372	50	0	biogenic	JAAARO
CC(C)C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)C(=O)NCC(N)=O	ZINC000012653705	556098726	/nfs/dbraw/zinc/09/87/26/556098726.db2.gz	YSUOCNPRFZWCLQ-JQFCIGGWSA-N	1	0	478.550	-1.985	50	0	biogenic	JAAARO
CC(C)C[C@H](NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)C(=O)NCC(N)=O	ZINC000016027943	556116428	/nfs/dbraw/zinc/11/64/28/556116428.db2.gz	YSUOCNPRFZWCLQ-COXVUDFISA-N	1	0	478.550	-1.985	50	0	biogenic	JAAARO
Cn1nc(C(=O)NCCCN2CC[NH+](CCCNC(=O)c3ccc(=O)n(C)n3)CC2)ccc1=O	ZINC000022809445	527543063	/nfs/dbraw/zinc/54/30/63/527543063.db2.gz	JXDOCFAXPKNBNM-UHFFFAOYSA-N	1	0	472.550	-1.568	50	0		JAAARO
CC(C)C[C@H](NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@H]([NH3+])Cc1ccc(O)cc1)C(=O)NCC(N)=O	ZINC000033932936	569637993	/nfs/dbraw/zinc/63/79/93/569637993.db2.gz	YSUOCNPRFZWCLQ-XYPHTWIQSA-N	1	0	478.550	-1.985	50	0	biogenic	JAAARO
CC(C)C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H]([NH3+])Cc1ccc(O)cc1)C(=O)NCC(N)=O	ZINC000033932940	569638051	/nfs/dbraw/zinc/63/80/51/569638051.db2.gz	YSUOCNPRFZWCLQ-XKQJLSEDSA-N	1	0	478.550	-1.985	50	0	biogenic	JAAARO
[NH3+]CCS(=O)(=O)N[C@@H](CNC(=O)c1ccc(OCCNC2=[NH+]CCCN2)cc1)C(=O)[O-]	ZINC000038801469	563135466	/nfs/dbraw/zinc/13/54/66/563135466.db2.gz	HMNDNGLWPPXDMJ-HNNXBMFYSA-N	1	0	456.525	-1.935	50	0		JAAARO
COC(=O)C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H]([NH3+])Cc1ccc(O)cc1)C(=O)OC	ZINC000061989706	569609599	/nfs/dbraw/zinc/60/95/99/569609599.db2.gz	OGOURABDACUVMT-GLQYFDAESA-N	1	0	452.464	-1.896	50	0	biogenic	JAAARO
COC(=O)C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)C(=O)OC	ZINC000061989707	569609659	/nfs/dbraw/zinc/60/96/59/569609659.db2.gz	OGOURABDACUVMT-CQDKDKBSSA-N	1	0	452.464	-1.896	50	0	biogenic	JAAARO
CC[N@@H+]1C[C@@]2(COC)[C@H]3[C@@H](OC)[C@H]4[C@@H]1[C@@]3([C@@H]1C[C@@]3(O)[C@H](O)[C@@H]1[C@]4(O)[C@@H](O)[C@@H]3OC)[C@@H](OC)C[C@H]2O	ZINC000070691794	560046922	/nfs/dbraw/zinc/04/69/22/560046922.db2.gz	SQMGCPHFHQGPIF-UUKFDUHUSA-N	1	0	499.601	-1.787	50	0	biogenic,in-vitro	JAAARO
CC[N@@H+]1C[C@@]2(COC)[C@H]3[C@@H](OC)[C@H]4[C@@H]1[C@@]3([C@H]1C[C@@]3(O)[C@H](O)[C@@H]1[C@]4(O)[C@@H](O)[C@@H]3OC)[C@@H](OC)C[C@H]2O	ZINC000103899095	130666816	/nfs/dbraw/zinc/66/68/16/130666816.db2.gz	SQMGCPHFHQGPIF-NUWSDIPYSA-N	1	0	499.601	-1.787	50	0		JAAARO
NC(=[NH2+])NCCC[C@H](NC(=O)CNC(=O)[C@H]1CCC(=O)N1)C(=O)N[C@H](Cc1ccccc1)C(N)=O	ZINC000257354866	570153315	/nfs/dbraw/zinc/15/33/15/570153315.db2.gz	CMWHGNOBFVLNTC-ARFHVFGLSA-N	1	0	488.549	-2.658	50	0		JAAARO
NC(=[NH2+])NCCC[C@H](NC(=O)CNC(=O)[C@H]1CCC(=O)N1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O	ZINC000257354867	570153410	/nfs/dbraw/zinc/15/34/10/570153410.db2.gz	CMWHGNOBFVLNTC-XHSDSOJGSA-N	1	0	488.549	-2.658	50	0		JAAARO
CC(C)[C@H]1NC(=O)[C@H]2CCC[C@@H]2NC(=O)[C@H](C)NC(=O)[C@@H]2C[C@H]([NH3+])CN2C(=O)[C@H]([C@@H](C)O)NC1=O	ZINC000952855803	1067145046	/nfs/dbraw/zinc/14/50/46/1067145046.db2.gz	BNVJQWDEOFIVAO-NYDPLSTMSA-N	1	0	494.593	-2.276	50	0		JAAARO
CC(C)[C@H]1NC(=O)[C@H]2CCC[C@@H]2NC(=O)[C@H](C)NC(=O)[C@@H]2C[C@H]([NH3+])CN2C(=O)[C@@H]([C@@H](C)O)NC1=O	ZINC000952862569	1067145287	/nfs/dbraw/zinc/14/52/87/1067145287.db2.gz	BNVJQWDEOFIVAO-JHYQVHTPSA-N	1	0	494.593	-2.276	50	0		JAAARO