smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[N+](C)(C)CCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O	ZINC000026172855	561770311	/nfs/dbraw/zinc/77/03/11/561770311.db2.gz	UYFVABWFCNUFPW-NFGXINMFSA-O	2	1	640.810	-1.016	1	30		KAEFMP
C[N+](C)(C)CC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O	ZINC000026174353	561770646	/nfs/dbraw/zinc/77/06/46/561770646.db2.gz	LHNWVKNNZQIKAL-CQJMVLFOSA-O	2	1	626.783	-1.406	1	30		KAEFMP
C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)CNC(=O)[C@@H]1Cc2c3ccccc3[nH]c2C[NH2+]1)C(=O)N[C@@H](CCCC[NH3+])C(=O)[O-]	ZINC000026401565	561788468	/nfs/dbraw/zinc/78/84/68/561788468.db2.gz	QPAVTARWLILJKC-YLGVKUCZSA-N	2	1	725.852	-1.969	1	30		KAEFMP
C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](C)NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2C[NH2+]1)C(=O)N[C@@H](CCCC[NH3+])C(=O)[O-]	ZINC000026403966	561789154	/nfs/dbraw/zinc/78/91/54/561789154.db2.gz	XGDIKKRUWYHBIA-FOMOFUEUSA-N	2	1	739.879	-1.581	1	30		KAEFMP
CC[C@H](C)[C@H]([NH2+]C[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O	ZINC000027075691	561834236	/nfs/dbraw/zinc/83/42/36/561834236.db2.gz	NKKCROXIGIDKDR-VSDQCSMASA-N	2	1	579.703	-3.117	1	30		KAEFMP
CC[C@H](C)[C@H](NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)C(=O)NCC[NH2+][C@@H](CO)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O	ZINC000027077619	561834504	/nfs/dbraw/zinc/83/45/04/561834504.db2.gz	ALWUMNONVNKBTF-JMMIECQRSA-N	3	1	579.703	-3.117	1	30		KAEFMP
CC[C@H](C)[C@H](NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CO)CN[C@@H](CCCNC(N)=[NH2+])C(N)=O	ZINC000027080858	561834982	/nfs/dbraw/zinc/83/49/82/561834982.db2.gz	CVSXFTRRMQMWLE-VEQFOHNZSA-N	2	1	579.703	-3.117	1	30		KAEFMP
NC(=[NH2+])NCCC[C@H]1COc2ccc(NC(=O)c3ccc4[nH]c(=O)c(=O)[nH]c4c3)cc2C(=O)NC[C@@H]([NH3+])C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1	ZINC000027085524	561836178	/nfs/dbraw/zinc/83/61/78/561836178.db2.gz	ZMSGYVHIKPXOTB-CLLDFNAGSA-N	2	1	714.740	-1.110	1	30		KAEFMP
NC(=[NH2+])NCCC[C@@H]1COc2ccc(NC(=O)c3ccc4[nH]c(=O)c(=O)[nH]c4c3)cc2C(=O)NC[C@H]([NH3+])C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1	ZINC000027085940	561836341	/nfs/dbraw/zinc/83/63/41/561836341.db2.gz	ZMSGYVHIKPXOTB-UVWWXKGLSA-N	2	1	714.740	-1.110	1	30		KAEFMP
NC(=[NH2+])NCCC[C@@H]1COc2ccc(NC(=O)c3ccc4[nH]c(=O)c(=O)[nH]c4c3)cc2C(=O)NC[C@H]([NH3+])C(=O)N[C@H](Cc2ccc(N)cc2)C(=O)N1	ZINC000027085959	561836367	/nfs/dbraw/zinc/83/63/67/561836367.db2.gz	BHTVDBOYJUPAKN-VIICAESSSA-N	2	1	713.756	-1.234	1	30		KAEFMP
NC(=[NH2+])NCCC[C@H]1COc2ccc(NC(=O)c3ccc4[nH]c(=O)c(=O)[nH]c4c3)cc2C(=O)NC[C@@H]([NH3+])C(=O)N[C@@H](Cc2ccc(N)cc2)C(=O)N1	ZINC000027086465	561836395	/nfs/dbraw/zinc/83/63/95/561836395.db2.gz	BHTVDBOYJUPAKN-SYVJQLTCSA-N	2	1	713.756	-1.234	1	30		KAEFMP
NC(=[NH2+])NCCC[C@@H]1COc2ccc(NC(=O)c3ccc4[nH]c(=O)c(=O)[nH]c4c3)cc2C(=O)NC[C@@H]([NH3+])C(=O)N[C@H](Cc2cccnc2)C(=O)N1	ZINC000027091766	561837225	/nfs/dbraw/zinc/83/72/25/561837225.db2.gz	KEFFBYNUYCKYFQ-QFZWGZQFSA-N	2	1	699.729	-1.421	1	30		KAEFMP
NC(=[NH2+])NCCC[C@H]1COc2ccc(NC(=O)c3ccc4[nH]c(=O)c(=O)[nH]c4c3)cc2C(=O)NC[C@@H]([NH3+])C(=O)N[C@@H](Cc2cccnc2)C(=O)N1	ZINC000027092389	561837429	/nfs/dbraw/zinc/83/74/29/561837429.db2.gz	KEFFBYNUYCKYFQ-HOKHCIIBSA-N	2	1	699.729	-1.421	1	30		KAEFMP
CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCCNC(N)=[NH2+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O	ZINC000027332064	561855257	/nfs/dbraw/zinc/85/52/57/561855257.db2.gz	AIAFPQMEAICSMM-LROMGURASA-N	2	1	702.906	-1.820	1	30		KAEFMP
NC(=[NH2+])NCCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC[NH3+])C(N)=O	ZINC000027751861	561883254	/nfs/dbraw/zinc/88/32/54/561883254.db2.gz	LCKZFWNZLABYEW-XQUALCHDSA-N	2	1	597.721	-1.763	1	30		KAEFMP
CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H](N)CCCNC(N)=[NH2+])C(N)=O	ZINC000028017970	561897916	/nfs/dbraw/zinc/89/79/16/561897916.db2.gz	OASDKNFAGRRSIT-LZFDFFMTSA-N	2	1	702.862	-2.654	1	30		KAEFMP
NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O	ZINC000029329236	562013578	/nfs/dbraw/zinc/01/35/78/562013578.db2.gz	GRRYUUOMDDAEJK-WHHDSKRTSA-N	2	1	701.837	-1.191	1	30		KAEFMP
NC(=[NH2+])NCCC[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O	ZINC000029338471	562014816	/nfs/dbraw/zinc/01/48/16/562014816.db2.gz	CJPRHIHRLZZAPV-SZMVWBNQSA-N	2	1	515.623	-2.400	1	30		KAEFMP
NC(=[NH2+])NCCC[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O	ZINC000029339166	562014862	/nfs/dbraw/zinc/01/48/62/562014862.db2.gz	SVUHCDHRJXQSAX-WHHDSKRTSA-N	2	1	701.837	-1.191	1	30		KAEFMP
NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(N)=O	ZINC000029341762	562015376	/nfs/dbraw/zinc/01/53/76/562015376.db2.gz	PSQKTPQWGHVIPC-WHHDSKRTSA-N	2	1	701.837	-1.191	1	30		KAEFMP
C[C@@H](O)[C@H](N)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O	ZINC000049606010	562666485	/nfs/dbraw/zinc/66/64/85/562666485.db2.gz	CRAOUXYYLRPWFK-GJVPGRKHSA-N	2	1	721.821	-5.560	1	30		KAEFMP
CCCCCCCCc1ccc(NC(=O)[C@@H]([NH3+])[C@H](O[C@@H]2O[C@H](C[NH3+])[C@@H](O)[C@H]2O)[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)cc1	ZINC000049783658	562683158	/nfs/dbraw/zinc/68/31/58/562683158.db2.gz	QIKVDYXSRXGRKP-KQKUDYAKSA-N	2	1	635.715	-1.185	1	30		KAEFMP
C#CCCCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCC(=O)N[C@@H](CCCNC(N)=[NH2+])C[N@H+]1CCC[C@H]1C(N)=O	ZINC000049899610	562693297	/nfs/dbraw/zinc/69/32/97/562693297.db2.gz	BMSCBTQTDDOCMY-MLCQCVOFSA-N	3	1	660.825	-2.657	1	30		KAEFMP
C#CCCCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCC(=O)N[C@@H](CCCNC(N)=[NH2+])C[N@@H+]1CCC[C@H]1C(N)=O	ZINC000049899610	562693296	/nfs/dbraw/zinc/69/32/96/562693296.db2.gz	BMSCBTQTDDOCMY-MLCQCVOFSA-N	3	1	660.825	-2.657	1	30		KAEFMP
NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](CCCC[NH3+])NC(=O)CNC(=O)[C@@H](N)CS)C(=O)N[C@@H](CCCC[NH3+])C(=O)[O-]	ZINC000064527216	562706831	/nfs/dbraw/zinc/70/68/31/562706831.db2.gz	KJVVMRURBCSZHH-QAETUUGQSA-N	2	1	590.752	-3.580	1	30		KAEFMP
N[C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CCCC[NH3+])C(=O)ON1C(=O)CCC1=O	ZINC000082186860	562742515	/nfs/dbraw/zinc/74/25/15/562742515.db2.gz	ZWGOKDNSKZQSRL-ROHNOIKCSA-N	3	1	662.789	-1.289	1	30		KAEFMP
C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2C[NH2+]1)C(=O)N[C@@H](CCCC[NH3+])C(=O)[O-]	ZINC000095540627	562755848	/nfs/dbraw/zinc/75/58/48/562755848.db2.gz	VTJYMSRSRUKIRW-CWPIJUQSSA-N	2	1	796.931	-2.335	1	30		KAEFMP
NC(=[NH2+])NCCC[C@H]1COc2ccc(NC(=O)c3cc4[nH]c(=O)c(=O)[nH]c4cc3[N+](=O)[O-])cc2C(=O)NC[C@@H]([NH3+])C(=O)N[C@@H](Cc2ccc(N)cc2)C(=O)N1	ZINC000095541976	562756459	/nfs/dbraw/zinc/75/64/59/562756459.db2.gz	BPWCYNXVLCRQLX-SWHJIRTISA-N	2	1	758.753	-1.326	1	30		KAEFMP
NC(=[NH2+])NCCC[C@H]1COc2ccc(NC(=O)CCCNC(=O)c3ccc4[nH]c(=O)c(=O)[nH]c4c3)cc2C(=O)NC[C@@H]([NH3+])C(=O)N[C@@H](Cc2ccc(N)cc2)C(=O)N1	ZINC000095542880	562756912	/nfs/dbraw/zinc/75/69/12/562756912.db2.gz	KMJWERALCSYJIS-JDBUMTGOSA-N	2	1	798.862	-1.337	1	30		KAEFMP
CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)C[NH2+]C)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(N)=O	ZINC000095543521	562757308	/nfs/dbraw/zinc/75/73/08/562757308.db2.gz	RYADOBFGTAMGAN-BDECNRRISA-N	2	1	756.910	-2.215	1	30		KAEFMP
NC(=[NH2+])NCCC[C@H]1COc2ccc(NC(=O)CNC(=O)c3ccc4[nH]c(=O)c(=O)[nH]c4c3)cc2C(=O)NC[C@@H]([NH3+])C(=O)N[C@@H](Cc2ccc(N)cc2)C(=O)N1	ZINC000095546480	562758484	/nfs/dbraw/zinc/75/84/84/562758484.db2.gz	MIABUWQWFSMKAY-LLGBQNBKSA-N	2	1	770.808	-2.118	1	30		KAEFMP
NC(=[NH2+])NCCC[C@H]1COc2ccc(NC(=O)CCNC(=O)c3ccc4[nH]c(=O)c(=O)[nH]c4c3)cc2C(=O)NC[C@@H]([NH3+])C(=O)N[C@@H](Cc2ccc(N)cc2)C(=O)N1	ZINC000095546508	562758499	/nfs/dbraw/zinc/75/84/99/562758499.db2.gz	VOEJDXAQQKXZFC-CKOJHNACSA-N	2	1	784.835	-1.727	1	30		KAEFMP
Cn1c2ccc(C(=O)Nc3ccc4c(c3)C(=O)NC[C@@H]([NH3+])C(=O)N[C@@H](Cc3ccc(N)cc3)C(=O)N[C@@H](CCCNC(N)=[NH2+])CO4)cc2n(C)c(=O)c1=O	ZINC000095546521	562758522	/nfs/dbraw/zinc/75/85/22/562758522.db2.gz	VEEIUIOINAKJCO-DMDYGQEQSA-N	2	1	741.810	-1.213	1	30		KAEFMP
NC(=[NH2+])NCCC[C@H]1COc2ccc(NS(=O)(=O)c3ccc4[nH]c(=O)c(=O)[nH]c4c3)cc2C(=O)NC[C@@H]([NH3+])C(=O)N[C@@H](Cc2ccc(N)cc2)C(=O)N1	ZINC000095546523	562758543	/nfs/dbraw/zinc/75/85/43/562758543.db2.gz	KTKFRVOTYYYEME-CLLDFNAGSA-N	2	1	749.811	-1.685	1	30		KAEFMP
CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCC[NH3+])NC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCCNC(N)=[NH2+])C(N)=O	ZINC000095606678	562782276	/nfs/dbraw/zinc/78/22/76/562782276.db2.gz	GAXZMAYHNMXQEF-PHDILBGCSA-N	2	1	790.971	-1.340	1	30		KAEFMP
CN(CC(=O)Nc1ccc2c(c1)C(=O)NC[C@@H]([NH3+])C(=O)N[C@@H](Cc1ccc(N)cc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])CO2)C(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1	ZINC000095610763	562784574	/nfs/dbraw/zinc/78/45/74/562784574.db2.gz	OFAZVSWKDMIBRU-CKOJHNACSA-N	2	1	784.835	-1.775	1	30		KAEFMP
Cc1cc2[nH]c(=O)c(=O)[nH]c2cc1S(=O)(=O)Nc1ccc2c(c1)C(=O)NC[C@@H]([NH3+])C(=O)N[C@@H](Cc1ccc(N)cc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])CO2	ZINC000095611221	562784893	/nfs/dbraw/zinc/78/48/93/562784893.db2.gz	HYGAYFAMUMWXLE-SYVJQLTCSA-N	2	1	763.838	-1.377	1	30		KAEFMP
NC(=[NH2+])NCCC[C@H](NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CS)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CCCC[NH3+])C(=O)[O-]	ZINC000095614817	562786880	/nfs/dbraw/zinc/78/68/80/562786880.db2.gz	SYHCWWFUOPZTDO-KEOOTSPTSA-N	2	1	753.928	-3.147	1	30		KAEFMP
CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(NC(N)=[NH2+])cc1)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O	ZINC000096902862	562797695	/nfs/dbraw/zinc/79/76/95/562797695.db2.gz	HOTGHWJIIPOBKQ-LSBAASHUSA-N	2	1	690.851	-2.576	1	30		KAEFMP
CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(NC(N)=[NH2+])cc1)NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O	ZINC000096902863	562797702	/nfs/dbraw/zinc/79/77/02/562797702.db2.gz	QXWIAHYEKZCIJY-IRGGMKSGSA-N	2	1	742.858	-2.240	1	30		KAEFMP
N[C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@H](CCCC[NH3+])C(=O)N[C@H](CCCC[NH3+])C(=O)ON1C(=O)CCC1=O	ZINC000160868231	562849067	/nfs/dbraw/zinc/84/90/67/562849067.db2.gz	ZWGOKDNSKZQSRL-ZFFYZDHPSA-N	3	1	662.789	-1.289	1	30		KAEFMP
N[C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@H](CCCC[NH3+])C(=O)ON1C(=O)CCC1=O	ZINC000160868495	562849063	/nfs/dbraw/zinc/84/90/63/562849063.db2.gz	ZWGOKDNSKZQSRL-WSOYEBOPSA-N	3	1	662.789	-1.289	1	30		KAEFMP
C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CCCNC(N)=[NH2+])C(=O)N[C@@H](CCCNC(N)=[NH2+])[C@@H](O)c1nc2ccccc2s1	ZINC000169729262	562871415	/nfs/dbraw/zinc/87/14/15/562871415.db2.gz	VQZWHKIQHPBECL-PUVKRZILSA-N	2	1	648.795	-2.496	1	30		KAEFMP
NC(=[NH2+])NCCC[C@H](NC(=O)c1cccc(NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H](N)Cc2c[nH]c3ccccc23)c1)C(N)=O	ZINC000221727221	562879157	/nfs/dbraw/zinc/87/91/57/562879157.db2.gz	SBPBNLXPAGPURY-XWGVYQGASA-N	2	1	634.746	-1.148	1	30		KAEFMP
NC(=[NH2+])NCCC[C@H](NC(=O)c1cccc(NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](N)Cc2c[nH]c3ccccc23)c1)C(N)=O	ZINC000221727285	562879189	/nfs/dbraw/zinc/87/91/89/562879189.db2.gz	SBPBNLXPAGPURY-NHTMILBNSA-N	2	1	634.746	-1.148	1	30		KAEFMP
NC(=[NH2+])NCCC[C@@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)Nc1cccc(C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O)c1	ZINC000221727327	562879185	/nfs/dbraw/zinc/87/91/85/562879185.db2.gz	SBPBNLXPAGPURY-OEMFJLHTSA-N	2	1	634.746	-1.148	1	30		KAEFMP
NC(=[NH2+])NCCC[C@@H](NC(=O)[C@H](N)Cc1c[nH]c2ccccc12)C(=O)Nc1cccc(C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O)c1	ZINC000221727383	562879187	/nfs/dbraw/zinc/87/91/87/562879187.db2.gz	SBPBNLXPAGPURY-YFNKSVMNSA-N	2	1	634.746	-1.148	1	30		KAEFMP
NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1cccc(NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H](N)Cc2c[nH]c3ccccc23)c1)C(N)=O	ZINC000221727893	562879191	/nfs/dbraw/zinc/87/91/91/562879191.db2.gz	FUHMEQUNJIKJNL-VNNZRSTGSA-N	3	1	790.935	-2.610	1	30		KAEFMP
NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1cccc(NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](N)Cc2c[nH]c3ccccc23)c1)C(N)=O	ZINC000221727948	562879195	/nfs/dbraw/zinc/87/91/95/562879195.db2.gz	FUHMEQUNJIKJNL-DALQOBCZSA-N	3	1	790.935	-2.610	1	30		KAEFMP
NC(=[NH2+])NCCC[C@@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)Nc1cccc(C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O)c1	ZINC000221728001	562879193	/nfs/dbraw/zinc/87/91/93/562879193.db2.gz	FUHMEQUNJIKJNL-WOHWVRMTSA-N	3	1	790.935	-2.610	1	30		KAEFMP
NC(=[NH2+])NCCC[C@@H](NC(=O)[C@H](N)Cc1c[nH]c2ccccc12)C(=O)Nc1cccc(C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O)c1	ZINC000221728061	562879181	/nfs/dbraw/zinc/87/91/81/562879181.db2.gz	FUHMEQUNJIKJNL-NXBJLNSTSA-N	3	1	790.935	-2.610	1	30		KAEFMP
C#CCOCCOCCOCCNc1nc(N2CCN(C(=O)Cn3cc(CCCC[NH3+])nn3)CC2)nc(N2CCN(C(=O)Cn3cc(CCCC[NH3+])nn3)CC2)[nH+]1	ZINC000008690253	561707762	/nfs/dbraw/zinc/70/77/62/561707762.db2.gz	GXXJADSQEHXUBV-UHFFFAOYSA-N	3	1	794.967	-1.590	3	30		KAEFMP