smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(C=C2C(=O)[N-]C(=S)NC2=O)c(C)n1-c1ccc(C(=O)[O-])c(Cl)c1	ZINC000408853548	560647467	/nfs/dbraw/zinc/64/74/67/560647467.db2.gz	PFVXQCMFLLXBPD-UHFFFAOYSA-N	-2	1	403.847	2.360	40	10		HECBML
COc1cc(C=C2SC(=S)[N-]C2=O)cc(Br)c1OCC(=O)[O-]	ZINC000208647048	569361623	/nfs/dbraw/zinc/36/16/23/569361623.db2.gz	UARDGAGJKZFDDV-WTKPLQERSA-N	-2	1	404.263	2.410	40	10		HECBML
CN1C(=O)/C(=C\c2cn(Cc3ccc(C(=O)[O-])o3)c3ccccc23)C(=O)[N-]C1=S	ZINC000009265513	557834032	/nfs/dbraw/zinc/83/40/32/557834032.db2.gz	PGUKAJICCPJKBH-ZSOIEALJSA-N	-2	1	409.423	2.237	40	10		HECBML
Cc1ccnc([N-]S(=O)(=O)c2ccc(N=Nc3c(N)[nH]c(=S)[n-]c3=O)cc2)n1	ZINC000017021100	558811823	/nfs/dbraw/zinc/81/18/23/558811823.db2.gz	HTCNLWVMTHWXMF-QURGRASLSA-N	-2	1	418.464	2.368	40	10		HECBML
COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc([O-])c(Cl)c3)C2=O)cc1	ZINC000006640476	536728927	/nfs/dbraw/zinc/72/89/27/536728927.db2.gz	SELUVYHZZYAHPP-JYRVWZFOSA-N	-2	1	400.774	2.499	40	10		HECBML
Cc1nnc([N-]S(=O)(=O)c2ccc(N=Nc3c(N)[nH]c(=S)[n-]c3=O)cc2)s1	ZINC000017021118	558811831	/nfs/dbraw/zinc/81/18/31/558811831.db2.gz	VZTNKKAPOBXKHA-VHEBQXMUSA-N	-2	1	424.493	2.429	40	10		HECBML
CN1C(=O)/C(=C/c2cc(Br)c([O-])c(Br)c2)C(=O)[N-]C1=S	ZINC000408915543	560654127	/nfs/dbraw/zinc/65/41/27/560654127.db2.gz	XOBOVEBDJLXXNL-QHHAFSJGSA-N	-2	1	420.082	2.174	40	10		HECBML
O=C([O-])[C@@H]1CC(c2ccc(Br)cc2)=NN1/C=C1\SC(=S)[N-]C1=O	ZINC000256027990	568774594	/nfs/dbraw/zinc/77/45/94/568774594.db2.gz	NALMVINCPXBQHC-OYUORYAFSA-N	-2	1	412.290	2.301	40	10		HECBML
O=C([O-])[C@H]1CC(c2ccc(Br)cc2)=NN1/C=C1\SC(=S)[N-]C1=O	ZINC000256027989	568774618	/nfs/dbraw/zinc/77/46/18/568774618.db2.gz	NALMVINCPXBQHC-CHPNCVJKSA-N	-2	1	412.290	2.301	40	10		HECBML
CC(=O)[N-]S(=O)(=O)c1ccc(-c2ccc(C=C3SC(=S)[N-]C3=O)o2)cc1	ZINC000016321118	558786286	/nfs/dbraw/zinc/78/62/86/558786286.db2.gz	WDSCBTWXLWDWNS-ZSOIEALJSA-N	-2	1	408.482	2.260	40	10		HECBML
CCOc1ccc(N2C(=O)[N-]C(=O)C(=CNc3cc([N+](=O)[O-])ccc3[O-])C2=O)cc1	ZINC000408536999	557336184	/nfs/dbraw/zinc/33/61/84/557336184.db2.gz	YTCIPWFXDCZWBI-GXDHUFHOSA-N	-2	1	412.358	2.278	40	10		HECBML
Cc1cc(C=C2C(=O)[N-]C(=S)NC2=O)c(C)n1-c1cc(C(=O)[O-])ccc1Cl	ZINC000408999077	560663471	/nfs/dbraw/zinc/66/34/71/560663471.db2.gz	WFEUBGZKKFAPON-UHFFFAOYSA-N	-2	1	403.847	2.360	40	10		HECBML