smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O[C@@]12C[C@@H]3C[C@@H](C[C@@]([NH2+]Cc4ccc(Br)cc4)(C3)C1)C2	ZINC000217970859	241288354	/nfs/dbraw/zinc/28/83/54/241288354.db2.gz	VXVDFVYPRDAVHR-ULAZLLGUSA-N	1	0	336.273	3.622	40	70		EHIBRO
COc1ccc([C@H](CC(C)C)NC(=O)CC2CC[NH+](C)CC2)cc1	ZINC000216902184	536912442	/nfs/dbraw/zinc/91/24/42/536912442.db2.gz	FVTYOGSEGZGCSW-IBGZPJMESA-N	1	0	332.488	3.631	40	70		EHIBRO
C[C@H](CNC(=O)CC1CC[NH+](C)CC1)Cc1cccc2ccccc21	ZINC000216903970	241219808	/nfs/dbraw/zinc/21/98/08/241219808.db2.gz	XRVQKCOIBMLDOR-KRWDZBQOSA-N	1	0	338.495	3.867	40	70		EHIBRO
COc1ccc([C@@H](CC(C)C)NC(=O)CC2CC[NH+](C)CC2)cc1	ZINC000216902150	241220050	/nfs/dbraw/zinc/22/00/50/241220050.db2.gz	FVTYOGSEGZGCSW-LJQANCHMSA-N	1	0	332.488	3.631	40	70		EHIBRO
C[NH+]1CCC(CC(=O)NCCCSc2ccc(Cl)cc2)CC1	ZINC000216903025	241219392	/nfs/dbraw/zinc/21/93/92/241219392.db2.gz	MSJXGYCJTAOTSL-UHFFFAOYSA-N	1	0	340.920	3.670	40	70		EHIBRO
C[NH+]1CCC(CC(=O)N(Cc2ccccc2)Cc2ccccc2)CC1	ZINC000216892459	536336030	/nfs/dbraw/zinc/33/60/30/536336030.db2.gz	ZUDPORLJNUQZLD-UHFFFAOYSA-N	1	0	336.479	3.947	40	70		EHIBRO
C[C@@H](CNC(=O)CC1CC[NH+](C)CC1)Cc1cccc2ccccc21	ZINC000216903939	241221263	/nfs/dbraw/zinc/22/12/63/241221263.db2.gz	XRVQKCOIBMLDOR-QGZVFWFLSA-N	1	0	338.495	3.867	40	70		EHIBRO
C[NH+]1CCC(Oc2ccc(NC(=S)Nc3ccccc3)cc2)CC1	ZINC000216927230	241224532	/nfs/dbraw/zinc/22/45/32/241224532.db2.gz	SCUGUSJSOGFYPZ-UHFFFAOYSA-N	1	0	341.480	3.969	40	70		EHIBRO
C[NH+]1CCC(CCNC(=O)CCc2ccc(C(C)(C)C)cc2)CC1	ZINC000216943140	536337260	/nfs/dbraw/zinc/33/72/60/536337260.db2.gz	MBZSSCLMAWFWOO-UHFFFAOYSA-N	1	0	330.516	3.765	40	70		EHIBRO
C[NH+]1CCC(CC(=O)Nc2ccccc2C(=O)c2ccccc2)CC1	ZINC000216900427	536336835	/nfs/dbraw/zinc/33/68/35/536336835.db2.gz	GGOIJLUAVCRJMD-UHFFFAOYSA-N	1	0	336.435	3.588	40	70		EHIBRO
C[NH+]1CCC(CCNC(=O)CCSc2ccc(Cl)cc2)CC1	ZINC000216929509	536337626	/nfs/dbraw/zinc/33/76/26/536337626.db2.gz	BTRFNQYSSBBJBW-UHFFFAOYSA-N	1	0	340.920	3.670	40	70		EHIBRO
C[NH+]1CCC(CCNC(=O)/C=C/c2ccc(C(C)(C)C)cc2)CC1	ZINC000216927450	536336270	/nfs/dbraw/zinc/33/62/70/536336270.db2.gz	KBYWOEUSWOFYJZ-JXMROGBWSA-N	1	0	328.500	3.845	40	70		EHIBRO
C[NH+]1CCC(CCNC(=O)/C=C/c2ccc(Cl)cc2Cl)CC1	ZINC000216926647	536336501	/nfs/dbraw/zinc/33/65/01/536336501.db2.gz	DOBSSOUDMCTVSZ-HWKANZROSA-N	1	0	341.282	3.855	40	70		EHIBRO
Cc1ccc([C@@H](NC(=O)CC2CC[NH+](C)CC2)c2ccccc2)cc1	ZINC000216902236	241219326	/nfs/dbraw/zinc/21/93/26/241219326.db2.gz	UJKXGIFSANAUJR-QFIPXVFZSA-N	1	0	336.479	3.933	40	70		EHIBRO
Cc1cccc([C@H](NC(=O)CC2CC[NH+](C)CC2)c2ccccc2)c1	ZINC000216905040	241220086	/nfs/dbraw/zinc/22/00/86/241220086.db2.gz	ZVAGSKZFHFNHNI-JOCHJYFZSA-N	1	0	336.479	3.933	40	70		EHIBRO
Cc1ccc(CC(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)cc1	ZINC000217020605	241230454	/nfs/dbraw/zinc/23/04/54/241230454.db2.gz	PLJSZRTXDQGYCG-UHFFFAOYSA-N	1	0	338.451	3.649	40	70		EHIBRO
C[NH+]1CCC(CCNC(=O)/C(=C/c2ccco2)c2ccccc2)CC1	ZINC000216929828	536336932	/nfs/dbraw/zinc/33/69/32/536336932.db2.gz	VIYCJWATLNNQSQ-CAPFRKAQSA-N	1	0	338.451	3.668	40	70		EHIBRO
Cc1cccc([C@@H](NC(=O)CC2CC[NH+](C)CC2)c2ccccc2)c1	ZINC000216905005	241218966	/nfs/dbraw/zinc/21/89/66/241218966.db2.gz	ZVAGSKZFHFNHNI-QFIPXVFZSA-N	1	0	336.479	3.933	40	70		EHIBRO
C[NH+]1CCC(CC(=O)Nc2ccc(Br)c(Cl)c2)CC1	ZINC000216895535	536336281	/nfs/dbraw/zinc/33/62/81/536336281.db2.gz	QNTFPNCPCMNWSP-UHFFFAOYSA-N	1	0	345.668	3.773	40	70		EHIBRO
Cc1ccc([C@H](NC(=O)CC2CC[NH+](C)CC2)c2ccccc2)cc1	ZINC000216902270	241219007	/nfs/dbraw/zinc/21/90/07/241219007.db2.gz	UJKXGIFSANAUJR-JOCHJYFZSA-N	1	0	336.479	3.933	40	70		EHIBRO