smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@H](NC(=O)[C@@H](S)Cc1ccccc1)C(=O)N1[C@@H](C(=O)[O-])C[C@@H]2CCCC[C@H]21	ZINC000028228003	581095470	/nfs/dbraw/zinc/09/54/70/581095470.db2.gz	WNGJQAMRMPASQK-MWTISTBLSA-N	-1	0	404.532	2.277	1	30		HEEFRM
C[C@H](NC(=O)[C@@H](S)Cc1ccccc1)C(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21	ZINC000013747318	581095488	/nfs/dbraw/zinc/09/54/88/581095488.db2.gz	WNGJQAMRMPASQK-HILJTLORSA-N	-1	0	404.532	2.277	1	30		HEEFRM
C[C@H](NC(=O)[C@@H](S)Cc1ccccc1)C(=O)N1[C@@H](C(=O)[O-])C[C@H]2CCCC[C@H]21	ZINC000028227997	581095461	/nfs/dbraw/zinc/09/54/61/581095461.db2.gz	WNGJQAMRMPASQK-XBKGKQEASA-N	-1	0	404.532	2.277	1	30		HEEFRM
O=C(NC1=C(Cl)C(=O)c2ccccc2C1=O)C(=O)c1c(=O)oc2ccccc2c1[O-]	ZINC000001631941	557277714	/nfs/dbraw/zinc/27/77/14/557277714.db2.gz	DIVJMFVRDQHKSS-UHFFFAOYSA-N	-1	0	423.764	2.327	1	30		HEEFRM
C[C@H](NC(=O)[C@@H](S)Cc1ccccc1)C(=O)N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-]	ZINC000036443549	581095476	/nfs/dbraw/zinc/09/54/76/581095476.db2.gz	WNGJQAMRMPASQK-JFMONLCZSA-N	-1	0	404.532	2.277	1	30		HEEFRM
C[C@H](NC(=O)[C@@H](CS)Cc1ccccc1)C(=O)N1c2ccccc2C[C@H]1C(=O)[O-]	ZINC000029477279	581095403	/nfs/dbraw/zinc/09/54/03/581095403.db2.gz	QMOWZMCEUUDPTM-YJLNNSPDSA-N	-1	0	412.511	2.322	1	30		HEEFRM
COc1ccc(C#CCOc2ccccc2C(=O)[O-])cc1Cc1cnc(N)nc1N	ZINC000003641192	581096177	/nfs/dbraw/zinc/09/61/77/581096177.db2.gz	OFMQCOABEHAXGV-UHFFFAOYSA-N	-1	0	404.426	2.369	1	30		HEEFRM
NC(=S)N=NCc1ccc(-c2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)o1	ZINC000033379591	526816336	/nfs/dbraw/zinc/81/63/36/526816336.db2.gz	UYKWMBZZQYPKCP-JMIUGGIZSA-N	-1	0	402.461	2.116	1	30		HEEFRM
C[C@H](NC(=O)[C@@H](S)Cc1ccccc1)C(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-]	ZINC000036443547	581095492	/nfs/dbraw/zinc/09/54/92/581095492.db2.gz	WNGJQAMRMPASQK-IASZTOCISA-N	-1	0	404.532	2.277	1	30		HEEFRM
CC(C)[C@H](S)C(=O)NC1(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)[O-])CCCCC1	ZINC000013745085	581093479	/nfs/dbraw/zinc/09/34/79/581093479.db2.gz	FMUTWHMNPWFQOH-IRXDYDNUSA-N	-1	0	422.547	2.278	1	30		HEEFRM
C[C@H](NC(=O)[C@@H](S)Cc1ccccc1)C(=O)N1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21	ZINC000036443548	581095463	/nfs/dbraw/zinc/09/54/63/581095463.db2.gz	WNGJQAMRMPASQK-ITWBUVANSA-N	-1	0	404.532	2.277	1	30		HEEFRM
CC(=O)O[C@H]1C2=C(C(=O)C(=O)C([C@@H](C)CO)=C2[O-])[C@@]2(C)CCCC(C)(C)[C@@H]2[C@@H]1O	ZINC000095913325	291203164	/nfs/dbraw/zinc/20/31/64/291203164.db2.gz	CGEAFLFTMXPWRG-YIDSTKMZSA-N	-1	0	406.475	2.014	1	30	biogenic,in-vitro	HEEFRM
C[C@H](NC(=O)[C@@H](S)Cc1ccccc1)C(=O)N1[C@@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21	ZINC000028228005	581095446	/nfs/dbraw/zinc/09/54/46/581095446.db2.gz	WNGJQAMRMPASQK-FUJDEKNSSA-N	-1	0	404.532	2.277	1	30		HEEFRM
C[C@H](NC(=O)[C@@H](S)Cc1ccccc1)C(=O)N1[C@@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21	ZINC000028228000	581095473	/nfs/dbraw/zinc/09/54/73/581095473.db2.gz	WNGJQAMRMPASQK-JWYNJWGYSA-N	-1	0	404.532	2.277	1	30		HEEFRM