smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CC=NNC(N)=S)c2cc1C	ZINC000008580591	204335122	/nfs/dbraw/zinc/33/51/22/204335122.db2.gz	KZYGMWRUAAKHGE-YPEHOIGNSA-N	0	2	357.399	0.020	40	30		FCEBLN
O=C([O-])C1CCCN1C(=O)C(Cc1c[nH]c[nH+]1)=NC(=O)C1CCC(=O)N1	ZINC001560406110	1269202385	/nfs/dbraw/zinc/20/23/85/1269202385.db2.gz	TVBGLSZZMCTHPG-NLRSGHBVSA-N	0	2	360.350	0.269	40	30		FCEBLN
O=C([O-])C1CCCN1C(=O)C(Cc1c[nH+]c[nH]1)=NC(=O)C1CCC(=O)N1	ZINC001560406110	1269202394	/nfs/dbraw/zinc/20/23/94/1269202394.db2.gz	TVBGLSZZMCTHPG-NLRSGHBVSA-N	0	2	360.350	0.269	40	30		FCEBLN
O=C([O-])C1CCCN1C(=O)C(Cc1c[nH]c[nH+]1)=NC(=O)C1CCC(=O)N1	ZINC001560406111	1269203004	/nfs/dbraw/zinc/20/30/04/1269203004.db2.gz	TVBGLSZZMCTHPG-NYWKFCTQSA-N	0	2	360.350	0.269	40	30		FCEBLN
O=C([O-])C1CCCN1C(=O)C(Cc1c[nH+]c[nH]1)=NC(=O)C1CCC(=O)N1	ZINC001560406111	1269203007	/nfs/dbraw/zinc/20/30/07/1269203007.db2.gz	TVBGLSZZMCTHPG-NYWKFCTQSA-N	0	2	360.350	0.269	40	30		FCEBLN
O=C1NC(=O)C(=Nn2c(=O)c3ccccc3nc2-c2ccccc2)C(=O)N1	ZINC000003019174	487470458	/nfs/dbraw/zinc/47/04/58/487470458.db2.gz	TXKHCTUFYDKQJH-UHFFFAOYSA-N	0	2	361.317	0.634	40	30		FCEBLN
COc1c(O)c(Br)cc(/C=N/n2nnnc2N)c1[N+](=O)[O-]	ZINC000110385832	488525694	/nfs/dbraw/zinc/52/56/94/488525694.db2.gz	XSPLHYMIECWFGL-KGVSQERTSA-N	0	2	358.112	0.522	40	30		FCEBLN
COc1c(O)c(Br)cc(C=NNc2nncn2N)c1[N+](=O)[O-]	ZINC000408729697	490354227	/nfs/dbraw/zinc/35/42/27/490354227.db2.gz	IEUUKRSZNQOXIP-QLKAYGNNSA-N	0	2	372.139	0.823	40	30		FCEBLN
COc1ccccc1NC(=O)C(=Cn1c(=O)cc(O)[nH]c1=S)C(C)=O	ZINC000104304404	209260559	/nfs/dbraw/zinc/26/05/59/209260559.db2.gz	FMGAAUWRLZOXBB-CSKARUKUSA-N	0	2	361.379	0.740	40	30		FCEBLN
COc1ccccc1NC(=O)C(=Cn1c(O)cc(=O)[nH]c1=S)C(C)=O	ZINC000104304404	209260561	/nfs/dbraw/zinc/26/05/61/209260561.db2.gz	FMGAAUWRLZOXBB-CSKARUKUSA-N	0	2	361.379	0.740	40	30		FCEBLN
COc1cccc2c1[C@H](CO)N1[C@H](C#N)[C@@H]3C[C@H](C(=O)[O-])[C@H]([C@@H]1C2)[N@H+]3C	ZINC000022863039	487625680	/nfs/dbraw/zinc/62/56/80/487625680.db2.gz	YGWHMSNGVVTUIT-DNIPMDERSA-N	0	2	357.410	0.635	40	30	in-vitro	FCEBLN
COc1cccc2c1[C@H](CO)N1[C@H](C#N)[C@@H]3C[C@H](C(=O)[O-])[C@H]([C@@H]1C2)[N@@H+]3C	ZINC000022863039	487625688	/nfs/dbraw/zinc/62/56/88/487625688.db2.gz	YGWHMSNGVVTUIT-DNIPMDERSA-N	0	2	357.410	0.635	40	30	in-vitro	FCEBLN
COc1ccccc1NC(=O)C(=Cn1c(=O)cc(O)[nH]c1=S)C(C)=O	ZINC000001637440	524580509	/nfs/dbraw/zinc/58/05/09/524580509.db2.gz	FMGAAUWRLZOXBB-NTMALXAHSA-N	0	2	361.379	0.740	40	30		FCEBLN
COc1ccccc1NC(=O)C(=Cn1c(O)cc(=O)[nH]c1=S)C(C)=O	ZINC000001637440	524580511	/nfs/dbraw/zinc/58/05/11/524580511.db2.gz	FMGAAUWRLZOXBB-NTMALXAHSA-N	0	2	361.379	0.740	40	30		FCEBLN
O=C1CCC2=C1C1(O[C@@H]3c4ccccc4C=CN23)C(=O)NC(=O)NC1=O	ZINC000001580642	487470181	/nfs/dbraw/zinc/47/01/81/487470181.db2.gz	YIBOVELOZFZNHM-CQSZACIVSA-N	0	2	351.318	0.724	40	30		FCEBLN
O=C1CCC2=C1C1(O[C@H]3c4ccccc4C=CN23)C(=O)NC(=O)NC1=O	ZINC000006576088	487495950	/nfs/dbraw/zinc/49/59/50/487495950.db2.gz	YIBOVELOZFZNHM-AWEZNQCLSA-N	0	2	351.318	0.724	40	30		FCEBLN
Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CC=NNC(N)=S)c2cc1C	ZINC000004353442	487477120	/nfs/dbraw/zinc/47/71/20/487477120.db2.gz	KZYGMWRUAAKHGE-IJUHEHPCSA-N	0	2	357.399	0.020	40	30		FCEBLN
COc1ccc(NC(=O)C(=Cn2c(=O)cc(O)[nH]c2=S)C(C)=O)cc1	ZINC000005855406	487491367	/nfs/dbraw/zinc/49/13/67/487491367.db2.gz	LQKYDKVGBCKJFK-XYOKQWHBSA-N	0	2	361.379	0.740	40	30		FCEBLN
COc1ccc(NC(=O)C(=Cn2c(O)cc(=O)[nH]c2=S)C(C)=O)cc1	ZINC000005855406	487491372	/nfs/dbraw/zinc/49/13/72/487491372.db2.gz	LQKYDKVGBCKJFK-XYOKQWHBSA-N	0	2	361.379	0.740	40	30		FCEBLN