smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1c(O)cc(O)c2c1C(=O)OC[C@H](NC(=O)[C@@H]1[C@H](O)CCN1C(=O)[C@@H]([NH3+])CO)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)[O-])CSC2	ZINC000003915525	561684805	/nfs/dbraw/zinc/68/48/05/561684805.db2.gz	HMHQWJDFNVJCHA-BTZKOOKSSA-N	0	0	641.656	-3.350	10	0	in-vitro	KAAERN
NC(=[NH2+])NCCC[C@H](NC(=O)C[NH3+])C(=O)NCC(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000003934111	552423047	/nfs/dbraw/zinc/42/30/47/552423047.db2.gz	AGOOUZZBQZNYCU-AJNGGQMLSA-N	0	0	601.618	-5.288	10	0		KAAERN
C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1OC(=O)C=C2[C@@]13O[C@@H]3[C@H]1OC(=O)[C@]3(C)[C@H]1[C@]2(C)[C@@H]1O[C@@H]1[C@@H]3O	ZINC000008234255	560207791	/nfs/dbraw/zinc/20/77/91/560207791.db2.gz	QGWDZDZECYBAPW-KPCMHIKZSA-N	0	0	526.491	-3.110	10	0	in-vitro	KAAERN
CC[C@@]1(C)Oc2cc(c([S@@](=O)C[C@@H](O)C[C@H]([NH3+])C(=O)[O-])cc2O)[C@@H](O)[C@H]([NH2+]C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]1C(=O)NCC(=O)[O-]	ZINC000008552026	561705713	/nfs/dbraw/zinc/70/57/13/561705713.db2.gz	QRLBQXQEGMBXFM-JHIHKWCFSA-N	0	0	673.742	-2.328	10	0	in-vivo	KAAERN
NC(=[NH2+])NCCC[C@H](NC(=O)C[NH3+])C(=O)NCC(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@@H](CO)C(=O)[O-]	ZINC000013831128	553493006	/nfs/dbraw/zinc/49/30/06/553493006.db2.gz	PXBRHUDUPKMASY-DCAQKATOSA-N	0	0	504.501	-5.279	10	0		KAAERN
CC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@@H]1C(=O)N1C[C@@H](O)C[C@@H]1C(=O)NCC(=O)N[C@H](C)C(=O)NCC(N)=O	ZINC000014175498	561737318	/nfs/dbraw/zinc/73/73/18/561737318.db2.gz	GFJRASPBQLDRRY-TWTQBQJDSA-N	0	0	617.660	-3.385	10	0	investigational	KAAERN
CC(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@H](CCCC[NH3+])C(=O)N(C)CC(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-]	ZINC000015722133	553534888	/nfs/dbraw/zinc/53/48/88/553534888.db2.gz	XVWNIYYJLZLOIR-BBWFWOEESA-N	0	0	516.596	-1.874	10	0		KAAERN
NC(=[NH2+])NCCC[C@@H]([NH3+])C(=O)NCC(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-]	ZINC000017655306	553599279	/nfs/dbraw/zinc/59/92/79/553599279.db2.gz	IACNLTVRZIHFQK-PVAVHDDUSA-N	0	0	532.558	-2.054	10	0		KAAERN
CC(C)[C@H]([NH3+])C(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCC[NH3+])C(=O)[O-]	ZINC000026643655	553820070	/nfs/dbraw/zinc/82/00/70/553820070.db2.gz	ACSMGYQPHZVZKZ-BWJWTDLKSA-N	0	0	548.594	-4.028	10	0		KAAERN
C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)C(=O)[O-]	ZINC000027424424	561858132	/nfs/dbraw/zinc/85/81/32/561858132.db2.gz	JLGXBCVNIQSPJZ-YSSFQJQWSA-N	0	0	513.551	-1.189	10	0		KAAERN
C/C=C(\CO)C(=O)O[C@H]1[C@H](O)[C@@H](C(=O)OC)O[C@@H]2C[C@H]3O[C@@H](n4cnc5c4ncnc5N)[C@H](OC)[C@H]3O[C@]21O	ZINC000038139760	562062623	/nfs/dbraw/zinc/06/26/23/562062623.db2.gz	LOWKANMKNQBRPJ-MRAUHCMASA-N	0	0	551.509	-2.050	10	0	in-vitro	KAAERN
CC(C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(=O)[O-])NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=[NH2+])NC1=O	ZINC000049694914	554324494	/nfs/dbraw/zinc/32/44/94/554324494.db2.gz	OJOVBVONXDWCFW-CBHOWOPOSA-N	0	0	588.666	-1.919	10	0		KAAERN
C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-]	ZINC000060181793	554502384	/nfs/dbraw/zinc/50/23/84/554502384.db2.gz	QMJRMHGWIHXNKG-XFEXQEHJSA-N	0	0	536.586	-2.130	10	0		KAAERN
COc1cc2ccc(=O)oc2cc1O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1OC(C)=O	ZINC000067912484	291614031	/nfs/dbraw/zinc/61/40/31/291614031.db2.gz	VJPARTQOILTISJ-JONDNUHGSA-N	0	0	542.490	-1.597	10	0	biogenic	KAAERN
COC(=O)COc1cc(-n2cc(CO[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3NC(C)=O)nn2)ccc1C(=O)OC	ZINC000069593108	553593651	/nfs/dbraw/zinc/59/36/51/553593651.db2.gz	YBQLLHPFTIGQOS-GGPUMOOHSA-N	0	0	524.483	-1.934	10	0		KAAERN
COC(=O)COc1cc(-n2cc(CO[C@H]3O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]3NC(C)=O)nn2)ccc1C(=O)OC	ZINC000069593112	553593458	/nfs/dbraw/zinc/59/34/58/553593458.db2.gz	YBQLLHPFTIGQOS-XLKKCASTSA-N	0	0	524.483	-1.934	10	0		KAAERN
COC(=O)COc1cc(-n2cc(CO[C@H]3O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]3NC(C)=O)nn2)ccc1C(=O)OC	ZINC000069593117	553593628	/nfs/dbraw/zinc/59/36/28/553593628.db2.gz	YBQLLHPFTIGQOS-UCMHIRGCSA-N	0	0	524.483	-1.934	10	0		KAAERN
COC(=O)COc1cc(-n2cc(CO[C@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]3NC(C)=O)nn2)ccc1C(=O)OC	ZINC000069593122	553593636	/nfs/dbraw/zinc/59/36/36/553593636.db2.gz	YBQLLHPFTIGQOS-UWQHEJLZSA-N	0	0	524.483	-1.934	10	0		KAAERN
CC(C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CC(=O)[O-])NC(=O)CNC(=O)[C@H](CCCNC(N)=[NH2+])NC1=O	ZINC000071788345	553638628	/nfs/dbraw/zinc/63/86/28/553638628.db2.gz	YYQUWEHEBOMRPH-OOSNJVJTSA-N	0	0	574.639	-2.308	10	0		KAAERN
CC(C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CC(=O)[O-])NC(=O)[C@@H](C)NC(=O)[C@H](CCCNC(N)=[NH2+])NC1=O	ZINC000071788353	553638616	/nfs/dbraw/zinc/63/86/16/553638616.db2.gz	OJOVBVONXDWCFW-IEGBIBBISA-N	0	0	588.666	-1.919	10	0		KAAERN
CN(C)C(=O)[C@@H]1OCCOCCO[C@@H](C(=O)N(C)C)[C@H](C(=O)N(C)C)OCCOCCO[C@H]1C(=O)N(C)C	ZINC000072131065	553642223	/nfs/dbraw/zinc/64/22/23/553642223.db2.gz	JCBZYAQCLZKNFP-UAFMIMERSA-N	0	0	548.634	-2.073	10	0	in-vitro	KAAERN
COC(=O)COC(=O)CN(CCOCCN(CC(=O)OCC(=O)OC)CC(=O)OCC(=O)OC)CC(=O)OCC(=O)OC	ZINC000072132627	553643683	/nfs/dbraw/zinc/64/36/83/553643683.db2.gz	HUXZWLOCCJOCCY-UHFFFAOYSA-N	0	0	624.549	-3.528	10	0	in-vitro	KAAERN
CC(=O)N[C@@H]1[C@@H](O[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)[C@H](O)[C@@H](CO)O[C@@H]1O	ZINC000077269641	553655554	/nfs/dbraw/zinc/65/55/54/553655554.db2.gz	BDTCKZAWGSBKOX-ASYXVCOPSA-N	0	0	551.498	-2.970	10	0	in-vitro	KAAERN
CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000077269652	553655503	/nfs/dbraw/zinc/65/55/03/553655503.db2.gz	BDTCKZAWGSBKOX-UBUSFWALSA-N	0	0	551.498	-2.970	10	0	in-vitro	KAAERN
CC(=O)N[C@H]1[C@@H](OC(C)=O)O[C@H](COC(C)=O)[C@@H](O[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)[C@@H]1OC(C)=O	ZINC000077270356	553655751	/nfs/dbraw/zinc/65/57/51/553655751.db2.gz	XKTWMUHXXMTTHP-LMNUNGBOSA-N	0	0	677.609	-1.258	10	0	in-vitro	KAAERN
O=C(NC(CO[C@@H]1[C@H]2CO[C@H](O2)[C@@H](O)[C@H]1O)CO[C@@H]1[C@@H]2CO[C@@H](O2)[C@@H](O)[C@H]1O)c1ccc(C2(C(F)(F)F)N=N2)cc1	ZINC000077272186	553656672	/nfs/dbraw/zinc/65/66/72/553656672.db2.gz	MGQHSAUOWYOJDD-KPYKWUEBSA-N	0	0	591.492	-1.310	10	0	in-vitro	KAAERN
CC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@@H](CO)O[C@H]1OCc1ccccc1	ZINC000077272720	553656963	/nfs/dbraw/zinc/65/69/63/553656963.db2.gz	YKIHNKSMASHGRS-LQNYZTQFSA-N	0	0	514.528	-2.885	10	0	in-vitro	KAAERN
CCC(=O)OCCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O	ZINC000077292230	553659376	/nfs/dbraw/zinc/65/93/76/553659376.db2.gz	INQLKIPIHULUIQ-ALRKOFJNSA-N	0	0	608.682	-1.792	10	0	in-vitro	KAAERN
CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O	ZINC000077302478	553661610	/nfs/dbraw/zinc/66/16/10/553661610.db2.gz	XLIQWEWKKALGPG-LQNYZTQFSA-N	0	0	564.541	-2.743	10	0	in-vitro	KAAERN
CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)[C@H]1NC(C)=O	ZINC000077302535	553661591	/nfs/dbraw/zinc/66/15/91/553661591.db2.gz	UGSIDYFMHBBYOM-YUVNFOKTSA-N	0	0	565.525	-2.316	10	0	in-vitro	KAAERN
CC(=O)N[C@@H]1[C@@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](CO)O[C@H]1Oc1ccc2c(C)cc(=O)oc2c1	ZINC000077303582	553662364	/nfs/dbraw/zinc/66/23/64/553662364.db2.gz	IPZNUDCKTVCLPO-GJWSQKBPSA-N	0	0	525.507	-1.724	10	0	in-vitro	KAAERN
CC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@H]2O[C@H](C)[C@H](O)[C@H](O)[C@H]2O)[C@@H](CO)O[C@H]1Oc1ccc2c(C)cc(=O)oc2c1	ZINC000077303588	553662337	/nfs/dbraw/zinc/66/23/37/553662337.db2.gz	BYBMNJSPCSQJCY-OYEKQDLWSA-N	0	0	525.507	-1.724	10	0	in-vitro	KAAERN
COC(=O)[C@@]1(OC(C)=O)C[C@H](OC(C)=O)[C@@H](NC(=O)COC(C)=O)[C@H]([C@H](OC(C)=O)[C@H](COC(C)=O)OC(C)=O)O1	ZINC000077312226	553663371	/nfs/dbraw/zinc/66/33/71/553663371.db2.gz	YVLNEPRLKNKBFL-GYMGFVCNSA-N	0	0	591.519	-1.386	10	0	in-vitro	KAAERN
COC(=O)[C@]1(OC(C)=O)C[C@H](OC(C)=O)[C@@H](NC(=O)COC(C)=O)[C@H]([C@H](OC(C)=O)[C@H](COC(C)=O)OC(C)=O)O1	ZINC000077312231	553663367	/nfs/dbraw/zinc/66/33/67/553663367.db2.gz	YVLNEPRLKNKBFL-UJANOVOUSA-N	0	0	591.519	-1.386	10	0	in-vitro	KAAERN
CC(=O)O[C@@H]1[C@@H](CO)O[C@@](CO)(O[C@H]2O[C@H](CO)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)[C@H]1OC(C)=O	ZINC000077312245	553663361	/nfs/dbraw/zinc/66/33/61/553663361.db2.gz	UMOFHQSJMUINFR-ZIPNEROJSA-N	0	0	552.482	-2.542	10	0	in-vitro	KAAERN
COC(=O)[C@H]1O[C@@H](Oc2c(=O)n(C)c(C(C)(C)NC(=O)c3nnc(C)o3)nc2C(=O)NCc2ccc(F)cc2)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000077312756	553663965	/nfs/dbraw/zinc/66/39/65/553663965.db2.gz	UXGQANOYWVAAJK-GTSDBNFCSA-N	0	0	634.574	-1.435	10	0	in-vitro	KAAERN
CC(=O)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000077313367	553664545	/nfs/dbraw/zinc/66/45/45/553664545.db2.gz	SPWFGEAKPYYJQD-PCIRLDFKSA-N	0	0	636.556	-1.402	10	0	in-vitro	KAAERN
CC(=O)OC[C@H]1O[C@@H](OC[C@H]2O[C@H](O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000077313371	553664541	/nfs/dbraw/zinc/66/45/41/553664541.db2.gz	SPWFGEAKPYYJQD-DEZPWFOKSA-N	0	0	636.556	-1.402	10	0	in-vitro	KAAERN
CCC/C=C/C=C/C(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)NC)C1CCC(O)CC1	ZINC000095496413	553702432	/nfs/dbraw/zinc/70/24/32/553702432.db2.gz	YJNHGEDGQOEGCY-SDINXRMNSA-N	0	0	536.630	-1.599	10	0		KAAERN
CCC/C=C/C=C/C(=O)N[C@H](CC(N)=O)C(=O)N[C@H](CC(N)=O)C(=O)N[C@H](C(=O)NC)C1CCC(O)CC1	ZINC000095496415	553702559	/nfs/dbraw/zinc/70/25/59/553702559.db2.gz	YJNHGEDGQOEGCY-OYGGRRHRSA-N	0	0	536.630	-1.599	10	0		KAAERN
COc1ccc(/C=C/C(=O)O[C@@H]2[C@@H]3O[C@]3(CO)[C@@H]3[C@H]2C=CO[C@H]3O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1OC	ZINC000096023878	553723624	/nfs/dbraw/zinc/72/36/24/553723624.db2.gz	UGUWZDBHHDVSKD-JFBQKNIMSA-N	0	0	552.529	-1.309	10	0	biogenic	KAAERN
COc1ccc(/C=C/C(=O)O[C@@H]2[C@@H]3O[C@]3(CO)[C@@H]3[C@H]2C=CO[C@H]3O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1	ZINC000096023879	553723629	/nfs/dbraw/zinc/72/36/29/553723629.db2.gz	SYHPDMZDZYFZLU-WEWXOPRLSA-N	0	0	522.503	-1.317	10	0	biogenic	KAAERN
CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])CC(=O)[O-])C(C)C)C(N)=O	ZINC000096271156	562793737	/nfs/dbraw/zinc/79/37/37/562793737.db2.gz	UYMRFLAHRMRHGI-WTWMNNMUSA-N	0	0	748.879	-2.059	10	0		KAAERN
CC(=O)N1CCN2C[C@H]1C(=O)NC[C@H]1O[C@@H](CC(=O)N[C@H]3C[C@@H](C2=O)N(Cc2ccc(F)c(F)c2)C3)[C@H](O)[C@@H]1O	ZINC000097976368	553969048	/nfs/dbraw/zinc/96/90/48/553969048.db2.gz	YMCGNUCQSDWEPB-YCYPVUJZSA-N	0	0	565.574	-1.908	10	0		KAAERN
CS(=O)(=O)N1CCN2C[C@H]1C(=O)NC[C@H]1O[C@@H](CC(=O)N[C@H]3C[C@@H](C2=O)N(Cc2ccc(F)c(F)c2)C3)[C@H](O)[C@@H]1O	ZINC000097976415	553969392	/nfs/dbraw/zinc/96/93/92/553969392.db2.gz	JSDQZQGOMYHLTC-AQEFGQRESA-N	0	0	601.629	-2.495	10	0		KAAERN
NC(=[NH2+])NCCCC[C@@H]1NC(=O)CCSSC[C@@H](C(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC2=c3ccccc3=NC2)NC(=O)[C@H](CC(=O)[O-])NC(=O)CNC1=O	ZINC000098052690	554176311	/nfs/dbraw/zinc/17/63/11/554176311.db2.gz	FMJKIGWDWDYSEQ-LROMGURASA-N	0	0	831.979	-3.695	10	0	in-vitro	KAAERN
CC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](CO)O[C@H]1Oc1ccc2c(C)cc(=O)oc2c1	ZINC000100055039	554195843	/nfs/dbraw/zinc/19/58/43/554195843.db2.gz	BYBMNJSPCSQJCY-GJWSQKBPSA-N	0	0	525.507	-1.724	10	0		KAAERN
COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@]1(O)[C@H](OC(=O)c1ccccc1)C[C@]2(C)OC(C)=O	ZINC000100059120	554197591	/nfs/dbraw/zinc/19/75/91/554197591.db2.gz	BESOZWLCVNXHPJ-IXBILFTQSA-N	0	0	568.528	-1.486	10	0	biogenic	KAAERN
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CCC/C=C/C=C/C(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C(=O)NC)C1CCC(O)CC1	ZINC000102136998	554887764	/nfs/dbraw/zinc/88/77/64/554887764.db2.gz	YJNHGEDGQOEGCY-XZWJRTGESA-N	0	0	536.630	-1.599	10	0		KAAERN
NC(=[NH2+])NCCC[C@H](NC(=O)C[NH3+])C(=O)NCC(=O)N[C@H](CC(=O)[O-])C(=O)N[C@H](CO)C(=O)N1CCC[C@@H]1C(=O)[O-]	ZINC000102244660	554903383	/nfs/dbraw/zinc/90/33/83/554903383.db2.gz	NTEDOEBWPRVVSG-REWJHTLYSA-N	0	0	587.591	-5.678	10	0		KAAERN
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O=C1C[C@@H]2O[C@H](CN(C(=O)C3CCOCC3)C[C@@H]3CN(CCO3)C(=O)[C@@H]3C[C@@H](CN3Cc3cccnc3)N1)[C@@H](O)[C@H]2O	ZINC000108317450	571423325	/nfs/dbraw/zinc/42/33/25/571423325.db2.gz	KQTDCRIJKBQKLK-QJDMKIOZSA-N	0	0	587.674	-1.484	10	0		KAAERN
CC(C)C[C@@H]1NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC1=O	ZINC000136228204	560044712	/nfs/dbraw/zinc/04/47/12/560044712.db2.gz	AGPIOXWTGKGPPK-HVAMYJMISA-N	0	0	566.700	-1.213	10	0		KAAERN
CO[P@](=O)(OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1O)O[C@H]1C[C@H](n2cc(C)c(=O)[nH]c2=O)O[C@@H]1CO	ZINC000141163734	562833513	/nfs/dbraw/zinc/83/35/13/562833513.db2.gz	LGTAFJPHILMIHG-ADLLDWAFSA-N	0	0	560.453	-1.212	10	0		KAAERN
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NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC(=O)N1	ZINC000162512575	571532383	/nfs/dbraw/zinc/53/23/83/571532383.db2.gz	KEGKLERTOGWSEO-ZIUUJSQJSA-N	0	0	758.793	-2.564	10	0		KAAERN
CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])Cc1c[nH]c2ccccc12)[C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)[O-])[C@@H](C)O	ZINC000301319992	572143225	/nfs/dbraw/zinc/14/32/25/572143225.db2.gz	BFEKSNRFEVHCKW-MBMUFANHSA-N	0	0	673.768	-1.510	10	0		KAAERN
CC(C)[C@H](NC(=O)[C@H](CC(=O)[O-])NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCC[NH2+]1)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000301320076	572143647	/nfs/dbraw/zinc/14/36/47/572143647.db2.gz	MFFBHXGACRCPGU-HDTZAMLJSA-N	0	0	829.953	-1.994	10	0		KAAERN
C[C@@H](O)[C@H](NC(=O)[C@@H]([NH3+])CCC(=O)[O-])C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCC[NH3+])C(=O)[O-]	ZINC000301320099	572143550	/nfs/dbraw/zinc/14/35/50/572143550.db2.gz	NDCPUBLUTXDIGW-VWVZUHNFSA-N	0	0	626.664	-3.347	10	0		KAAERN
C[C@@H]1NC(=O)CNC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)CNC(=O)[C@H](CC(=O)[O-])NC(=O)[C@H](CO)NC(=O)[C@@H]2CCCN2C1=O	ZINC000301320181	572144075	/nfs/dbraw/zinc/14/40/75/572144075.db2.gz	SHVGSLDRDNCOEX-QXKUPLGCSA-N	0	0	640.655	-6.087	10	0		KAAERN
NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)C[NH3+])C(=O)NCC(=O)N[C@@H](CC(=O)[O-])C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)[O-]	ZINC000301320195	572143920	/nfs/dbraw/zinc/14/39/20/572143920.db2.gz	VNBPDMAPAHYMMJ-MUGJNUQGSA-N	0	0	735.756	-5.553	10	0		KAAERN