smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[S+](C)Cc1ccc2cc1C(=O)NCC(=O)NCC(=O)NCCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N2	ZINC000013779738	561728934	/nfs/dbraw/zinc/72/89/34/561728934.db2.gz	DFAHEBZNQSNQIU-PMACEKPBSA-O	1	3	533.675	-0.533	1	30		KBEFHO
NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O	ZINC000026579291	561804542	/nfs/dbraw/zinc/80/45/42/561804542.db2.gz	OVIZBCMXCJAPHP-MNUOIFNESA-N	1	3	643.753	-0.761	1	30		KBEFHO
CC(C)C[C@H]1NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](N)CCCCNC(=O)[C@@H](CCCNC(N)=[NH2+])NC1=O	ZINC000027109516	561840982	/nfs/dbraw/zinc/84/09/82/561840982.db2.gz	RPHLJSUEETUZQK-LDTQXXFPSA-N	1	3	657.861	-0.059	1	30		KBEFHO
CC(C)C[C@H](NC(=O)[C@H](Cc1c(F)c(F)c(F)c(F)c1F)NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O	ZINC000027331051	561854879	/nfs/dbraw/zinc/85/48/79/561854879.db2.gz	NQTGHJYKTHFCAQ-GBBGEASQSA-N	1	3	707.746	-0.158	1	30		KBEFHO
CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](C)N)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O	ZINC000027331620	561855141	/nfs/dbraw/zinc/85/51/41/561855141.db2.gz	HJIOTKLDHVBCCS-DUSBTPNUSA-N	1	3	623.844	-0.126	1	30		KBEFHO
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)N)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O	ZINC000027405736	561855454	/nfs/dbraw/zinc/85/54/54/561855454.db2.gz	VBDNJNFBTTWATB-NPJMLQJUSA-N	1	3	631.823	-0.511	1	30		KBEFHO
CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O	ZINC000027407390	561855744	/nfs/dbraw/zinc/85/57/44/561855744.db2.gz	WEYDYQQPPAJGGM-NHKCCNDQSA-N	1	3	635.786	-0.714	1	30		KBEFHO
CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCNC(N)=[NH2+])C(N)=O	ZINC000027408659	561856059	/nfs/dbraw/zinc/85/60/59/561856059.db2.gz	NALCSWJLDYLRSP-WIGBTLJFSA-N	1	3	649.813	-0.324	1	30		KBEFHO
COc1ccc(C[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O)cc1	ZINC000027409908	561856181	/nfs/dbraw/zinc/85/61/81/561856181.db2.gz	HFRCSHMHTOJNTA-WIGBTLJFSA-N	1	3	647.822	-0.845	1	30		KBEFHO
CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O	ZINC000027410032	561856145	/nfs/dbraw/zinc/85/61/45/561856145.db2.gz	RVEQTQIYEKZNGG-IRGGMKSGSA-N	1	3	683.859	-0.908	1	30		KBEFHO
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)C(C)(C)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O	ZINC000027411214	561856437	/nfs/dbraw/zinc/85/64/37/561856437.db2.gz	SSZJMYTUGDCLHT-ZJZGAYNASA-N	1	3	631.823	-0.463	1	30		KBEFHO
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@@H](CCCNC(N)=[NH2+])C(N)=O	ZINC000027411228	561856468	/nfs/dbraw/zinc/85/64/68/561856468.db2.gz	AVBWDBOLHAFBJR-NPJMLQJUSA-N	1	3	631.823	-0.511	1	30		KBEFHO
CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O	ZINC000027413503	561856815	/nfs/dbraw/zinc/85/68/15/561856815.db2.gz	WAJFGSWQJACSHR-NPJMLQJUSA-N	1	3	631.823	-0.463	1	30		KBEFHO
CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](C)N)c1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O	ZINC000027413508	561856827	/nfs/dbraw/zinc/85/68/27/561856827.db2.gz	AKXZUIRQNMGYLA-SVXFZJLFSA-N	1	3	603.769	-0.723	1	30		KBEFHO
CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O	ZINC000027413822	561856823	/nfs/dbraw/zinc/85/68/23/561856823.db2.gz	RDZNXWKPFIJVFO-NHKCCNDQSA-N	1	3	652.241	-0.200	1	30		KBEFHO
CN[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O	ZINC000027420297	561857564	/nfs/dbraw/zinc/85/75/64/561857564.db2.gz	OCQKPCGUTGRLNJ-NPJMLQJUSA-N	1	3	631.823	-0.593	1	30		KBEFHO
NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O	ZINC000028475989	561928171	/nfs/dbraw/zinc/92/81/71/561928171.db2.gz	OVIZBCMXCJAPHP-PGXSJUQOSA-N	1	3	643.753	-0.761	1	30		KBEFHO
CCCCCCCCCC[NH2+]C[C@H](O[C@@H]1O[C@H](CN)[C@@H](O)[C@H]1O)[C@@H]1C[C@@H](O)[C@H](n2ccc(=O)[nH]c2=O)O1	ZINC000036352015	562059549	/nfs/dbraw/zinc/05/95/49/562059549.db2.gz	MBYDCXYZDTUARP-VXAIIWMZSA-N	1	3	528.647	-0.294	1	30		KBEFHO
CCCCN[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O	ZINC000095543941	562757548	/nfs/dbraw/zinc/75/75/48/562757548.db2.gz	WWAYRKCKQJJAQX-IHZBLBIESA-N	1	3	756.913	-0.213	1	30		KBEFHO
CCCCN[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O	ZINC000095543941	562757547	/nfs/dbraw/zinc/75/75/47/562757547.db2.gz	WWAYRKCKQJJAQX-IHZBLBIESA-N	1	3	756.913	-0.213	1	30		KBEFHO
CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(NC(N)=[NH2+])cc1)NC(=O)[C@H](Cc1ccc(F)cc1)[N-]S(=O)(=O)c1cccs1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O	ZINC000161909480	562849243	/nfs/dbraw/zinc/84/92/43/562849243.db2.gz	OIWPRMQQRUANPY-LJWNLINESA-N	1	3	801.972	-0.036	1	30		KBEFHO
C#CCOCCOCCOCCNc1nc(N2CCOCC2)nc(N2CCN(C(=O)[C@H](CCCNC(N)=[NH2+])n3cc([C@@H](N)[C@@H](C)CC)nn3)CC2)n1	ZINC000072134887	562727381	/nfs/dbraw/zinc/72/73/81/562727381.db2.gz	QUXMFVUHBBSVLK-MYKRZTLLSA-N	1	3	728.904	-0.616	3	30		KBEFHO
C#CCOCCOCCOCCNc1nc(N2CCOCC2)nc(N2CCN(C(=O)[C@H](CCCNC(N)=[NH2+])n3cc([C@H](N)[C@@H](C)CC)nn3)CC2)n1	ZINC000072134888	562727412	/nfs/dbraw/zinc/72/74/12/562727412.db2.gz	QUXMFVUHBBSVLK-RZDMPUFOSA-N	1	3	728.904	-0.616	3	30		KBEFHO