smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCc1cccc2c(C=C3C(=O)[N-]C(=S)N(CCOC)C3=O)cn(CC(N)=O)c21	ZINC000006285444	559119328	/nfs/dbraw/zinc/11/93/28/559119328.db2.gz	VJZLPYCBNYJHTG-OQLLNIDSSA-N	-1	1	414.487	0.962	40	10		HCCBMM
Cc1cccc2c1[nH]c([O-])c(C=C1C(=O)N[C@@H](NN)N(c3ccccc3)C1=O)c2=O	ZINC000019168431	558847249	/nfs/dbraw/zinc/84/72/49/558847249.db2.gz	FGPNHTBMVCYSKJ-VPFXQZGESA-N	-1	1	405.414	0.835	40	10		HCCBMM
Cc1cccc2c([O-])c(C=C3C(=O)N[C@@H](NN)N(c4ccccc4)C3=O)c(=O)[nH]c12	ZINC000019168431	558847247	/nfs/dbraw/zinc/84/72/47/558847247.db2.gz	FGPNHTBMVCYSKJ-VPFXQZGESA-N	-1	1	405.414	0.835	40	10		HCCBMM
Cc1cccc2c1[nH]c([O-])c(C=C1C(=O)N[C@H](NN)N(c3ccccc3)C1=O)c2=O	ZINC000019168434	558847230	/nfs/dbraw/zinc/84/72/30/558847230.db2.gz	FGPNHTBMVCYSKJ-XISXUPMFSA-N	-1	1	405.414	0.835	40	10		HCCBMM
Cc1cccc2c([O-])c(C=C3C(=O)N[C@H](NN)N(c4ccccc4)C3=O)c(=O)[nH]c12	ZINC000019168434	558847228	/nfs/dbraw/zinc/84/72/28/558847228.db2.gz	FGPNHTBMVCYSKJ-XISXUPMFSA-N	-1	1	405.414	0.835	40	10		HCCBMM
NC(=O)C1CCN(c2ccc([N+](=O)[O-])cc2C=C2C(=O)[N-]C(=S)NC2=O)CC1	ZINC000059488596	568707755	/nfs/dbraw/zinc/70/77/55/568707755.db2.gz	VMRWXXGZVUJYCV-UHFFFAOYSA-N	-1	1	403.420	0.211	40	10		HCCBMM
CN1C(=O)C(=C[C@@H]2C(=O)[N-]C(=S)N(c3ccccc3)C2=O)C(=O)N(C)C1=S	ZINC000103855843	560734812	/nfs/dbraw/zinc/73/48/12/560734812.db2.gz	DVLNWJJKUHKMAP-SNVBAGLBSA-N	-1	1	402.457	0.192	40	10		HCCBMM
CN1C(=O)C(=C[C@H]2C(=O)[N-]C(=S)N(c3ccccc3)C2=O)C(=O)N(C)C1=S	ZINC000103855847	560734777	/nfs/dbraw/zinc/73/47/77/560734777.db2.gz	DVLNWJJKUHKMAP-JTQLQIEISA-N	-1	1	402.457	0.192	40	10		HCCBMM
COCCNC(=O)Cn1cc(C=C2C(=O)[N-]C(=S)N(C)C2=O)c2ccccc21	ZINC000409143821	560684364	/nfs/dbraw/zinc/68/43/64/560684364.db2.gz	IJPJEBALQSXVFT-ZROIWOOFSA-N	-1	1	400.460	0.660	40	10		HCCBMM
COc1cc(C=C2C(=O)[N-]C(=S)NC2=O)cc(Br)c1OCC(N)=O	ZINC000409226821	560698164	/nfs/dbraw/zinc/69/81/64/560698164.db2.gz	XFAYFCTWYNKMFH-UHFFFAOYSA-N	-1	1	414.237	0.236	40	10		HCCBMM