smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1NC(=O)C(=CNN2C(=O)c3cccc4c(Br)ccc(c43)C2=O)C(=O)N1	ZINC000003045259	569438637	/nfs/dbraw/zinc/43/86/37/569438637.db2.gz	YBEMIEMBKYSBGZ-UHFFFAOYSA-N	0	2	429.186	0.953	40	10		ICCBLN
O=C1NC(=O)C(=Cc2cc(C=C3C(=O)NC(=O)NC3=O)c([N+](=O)[O-])cc2[N+](=O)[O-])C(=O)N1	ZINC000004265921	555980371	/nfs/dbraw/zinc/98/03/71/555980371.db2.gz	XLWADCHNDJCFIP-UHFFFAOYSA-N	0	2	444.272	0.682	40	10		ICCBLN
CCCCN(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1NNC=C1C(=O)NC(=O)NC1=O	ZINC000059490006	557826298	/nfs/dbraw/zinc/82/62/98/557826298.db2.gz	NWYLAYIVCPTHAN-UHFFFAOYSA-N	0	2	440.438	0.182	40	10		ICCBLN
CN1C(=O)C(=C[C@@H]2C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)C(=O)N(C)C1=S	ZINC000103855863	557140358	/nfs/dbraw/zinc/14/03/58/557140358.db2.gz	IDOCEYLHMZVZPI-SNVBAGLBSA-N	0	2	436.902	0.846	40	10		ICCBLN
CN1C(=O)C(=Cc2c(O)n(-c3ccc(Cl)cc3)c(=S)[nH]c2=O)C(=O)N(C)C1=S	ZINC000103855863	557140354	/nfs/dbraw/zinc/14/03/54/557140354.db2.gz	IDOCEYLHMZVZPI-SNVBAGLBSA-N	0	2	436.902	0.846	40	10		ICCBLN
CN1C(=O)C(=C[C@H]2C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)C(=O)N(C)C1=S	ZINC000103855867	557140419	/nfs/dbraw/zinc/14/04/19/557140419.db2.gz	IDOCEYLHMZVZPI-JTQLQIEISA-N	0	2	436.902	0.846	40	10		ICCBLN
CN1C(=O)C(=Cc2c(O)n(-c3ccc(Cl)cc3)c(=S)[nH]c2=O)C(=O)N(C)C1=S	ZINC000103855867	557140417	/nfs/dbraw/zinc/14/04/17/557140417.db2.gz	IDOCEYLHMZVZPI-JTQLQIEISA-N	0	2	436.902	0.846	40	10		ICCBLN
COc1ccccc1N1C(=O)NC(=O)C(=CNNS(=O)(=O)c2ccc(C)cc2)C1=O	ZINC000408529966	555719474	/nfs/dbraw/zinc/71/94/74/555719474.db2.gz	IHVVBIRECGUGGG-SDNWHVSQSA-N	0	2	430.442	0.953	40	10		ICCBLN
Cc1cc(N2C(=O)NC(=O)C(=CNC(N)=N[N+](=O)[O-])C2=O)c(C)cc1Br	ZINC000408532547	555733089	/nfs/dbraw/zinc/73/30/89/555733089.db2.gz	QHUHQUDSAOUNCI-VMPITWQZSA-N	0	2	425.199	0.838	40	10		ICCBLN
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)ccc1OCC(N)=O	ZINC000408950268	556898106	/nfs/dbraw/zinc/89/81/06/556898106.db2.gz	JADLISNSMHXIRE-AWNIVKPZSA-N	0	2	439.380	0.954	40	10		ICCBLN