smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-])C(=O)N[C@H](C=O)CCCNC(N)=[NH2+]	ZINC000008716755	553128848	/nfs/dbraw/zinc/12/88/48/553128848.db2.gz	SDNYTAYICBFYFH-TUFLPTIASA-N	1	0	604.713	-1.718	50	30	aggregator,in-vitro	KAEARO
CC(C)[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-])C(=O)N[C@@H](C=O)CCCNC(N)=[NH2+]	ZINC000008716756	553128855	/nfs/dbraw/zinc/12/88/55/553128855.db2.gz	SDNYTAYICBFYFH-ANULTFPQSA-N	1	0	604.713	-1.718	50	30	aggregator,in-vitro	KAEARO
CC(C)[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)N[C@H](Cc1ccccc1)C(=O)[O-])C(=O)N[C@H](C=O)CCCNC(N)=[NH2+]	ZINC000008716757	553128883	/nfs/dbraw/zinc/12/88/83/553128883.db2.gz	SDNYTAYICBFYFH-BURNTYAHSA-N	1	0	604.713	-1.718	50	30	aggregator,in-vitro	KAEARO
CC(C)[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)N[C@H](Cc1ccccc1)C(=O)[O-])C(=O)N[C@@H](C=O)CCCNC(N)=[NH2+]	ZINC000008716758	553128870	/nfs/dbraw/zinc/12/88/70/553128870.db2.gz	SDNYTAYICBFYFH-MHTWAQMVSA-N	1	0	604.713	-1.718	50	30	aggregator,in-vitro	KAEARO
CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]([NH3+])CCCNC(N)=[NH2+])C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)[O-])[C@@H](C)O	ZINC000029390895	553844629	/nfs/dbraw/zinc/84/46/29/553844629.db2.gz	KKUPPLMEDQDAJX-UEHMALFGSA-N	1	0	648.762	-1.728	50	30		KAEARO
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)N[C@@H](CCCC[NH3+])C(=O)[O-]	ZINC000038989354	554278231	/nfs/dbraw/zinc/27/82/31/554278231.db2.gz	ZRVZOBGMZWVJOS-VMXHOPILSA-N	1	0	715.766	-6.274	50	30	in-vivo	KAEARO
C[NH+](C)[C@@H]1C([O-])=C(C(=O)NCN2CCN(C(=[NH2+])NC(N)=[NH2+])CC2)C(=O)[C@@]2(O)C(=O)C3=C([O-])c4c(O)cccc4[C@@](C)(O)[C@H]3C[C@@H]12	ZINC000072267001	553646794	/nfs/dbraw/zinc/64/67/94/553646794.db2.gz	DIRJDIBCAHCCFL-AQFAATAFSA-N	1	0	626.671	-1.591	50	30	in-man	KAEARO
C[NH+](C)[C@H]1C([O-])=C(C(=O)NCN2CCN(C(=[NH2+])NC(N)=[NH2+])CC2)C(=O)[C@]2(O)C(=O)C3=C([O-])c4c(O)cccc4[C@](C)(O)[C@@H]3C[C@H]12	ZINC000095750105	1066231557	/nfs/dbraw/zinc/23/15/57/1066231557.db2.gz	DIRJDIBCAHCCFL-QDPFABEJSA-N	1	0	626.671	-1.591	50	30		KAEARO
NC(=[NH2+])NCCC[C@H](NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]([NH3+])CS)C(=O)N[C@@H](CS)C(=O)NCC(=O)[O-]	ZINC000100536725	554412491	/nfs/dbraw/zinc/41/24/91/554412491.db2.gz	UAXAYRSMIDOXCU-BJDJZHNGSA-N	1	0	608.704	-5.917	50	30		KAEARO
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)[O-]	ZINC000197939832	1066204673	/nfs/dbraw/zinc/20/46/73/1066204673.db2.gz	GDPHPXYFLPDZGH-ZPHQVYNISA-N	1	0	725.848	-1.236	50	30		KAEARO
C[C@H](O)[C@H](NC(=O)Cc1ccc(N)cc1)C(=O)N[C@H](CCCC[NH3+])C(=O)N1CCC[C@@H]1C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)[O-]	ZINC000255986561	572304611	/nfs/dbraw/zinc/30/46/11/572304611.db2.gz	LWGJHKZQCNVQPO-CCMOONMYSA-N	1	0	633.751	-2.095	50	30		KAEARO
C[C@H](O)[C@H](NC(=O)Cc1ccc(N)cc1)C(=O)N[C@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)[O-]	ZINC000255986562	572304560	/nfs/dbraw/zinc/30/45/60/572304560.db2.gz	LWGJHKZQCNVQPO-CYYMHTFWSA-N	1	0	633.751	-2.095	50	30		KAEARO
C[C@H](O)[C@H](NC(=O)Cc1ccc(N)cc1)C(=O)N[C@H](CCCC[NH3+])C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)[O-]	ZINC000255986563	572304535	/nfs/dbraw/zinc/30/45/35/572304535.db2.gz	LWGJHKZQCNVQPO-JDVFBPCKSA-N	1	0	633.751	-2.095	50	30		KAEARO
C[C@H](O)[C@H](NC(=O)Cc1ccc(N)cc1)C(=O)N[C@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)[O-]	ZINC000255986564	572304619	/nfs/dbraw/zinc/30/46/19/572304619.db2.gz	LWGJHKZQCNVQPO-OWZJVHDQSA-N	1	0	633.751	-2.095	50	30		KAEARO
CSCC[C@H]([NH3+])C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)[O-]	ZINC000256005504	572304947	/nfs/dbraw/zinc/30/49/47/572304947.db2.gz	UWTASUKCZNGRDU-DZJNRPSUSA-N	1	0	523.660	-1.078	50	30		KAEARO
CSCC[C@H]([NH3+])C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)[O-]	ZINC000256005505	572304949	/nfs/dbraw/zinc/30/49/49/572304949.db2.gz	UWTASUKCZNGRDU-OWLYRPNTSA-N	1	0	523.660	-1.078	50	30		KAEARO
CSCC[C@H]([NH3+])C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C)C(=O)[O-]	ZINC000256005506	572304918	/nfs/dbraw/zinc/30/49/18/572304918.db2.gz	UWTASUKCZNGRDU-SPUZQDLCSA-N	1	0	523.660	-1.078	50	30		KAEARO