smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC1=CCN(C(=O)c2cncc([O-])c2)CC1	ZINC000160224795	168111025	/nfs/dbraw/zinc/11/10/25/168111025.db2.gz	UGBMCSPXZSQCAP-UHFFFAOYSA-N	-1	1	218.256	1.579	20	70		BDIDMM
CN(CC(F)F)C(=O)c1ncccc1[O-]	ZINC000160718085	361325371	/nfs/dbraw/zinc/32/53/71/361325371.db2.gz	COTOMFDBGLYLDI-UHFFFAOYSA-N	-1	1	216.187	1.124	20	70		BDIDMM
CC1=C(C(=O)[N-]OCC(C)C)CCCO1	ZINC000161300833	168078565	/nfs/dbraw/zinc/07/85/65/168078565.db2.gz	ODDNUTUAUMJFRA-UHFFFAOYSA-N	-1	1	213.277	1.775	20	70		BDIDMM
CS[C@H](C)CNC(=O)c1ncccc1[O-]	ZINC000159531205	388019596	/nfs/dbraw/zinc/01/95/96/388019596.db2.gz	OHGFLFPFZVXLCZ-SSDOTTSWSA-N	-1	1	226.301	1.269	20	70		BDIDMM
CS[C@@H](C)CNC(=O)c1ncccc1[O-]	ZINC000159531041	388019947	/nfs/dbraw/zinc/01/99/47/388019947.db2.gz	OHGFLFPFZVXLCZ-ZETCQYMHSA-N	-1	1	226.301	1.269	20	70		BDIDMM
CC1=C(C(=O)[N-]OCc2cccnc2)CCCO1	ZINC000161041518	168078307	/nfs/dbraw/zinc/07/83/07/168078307.db2.gz	RUQOULSCBDSKDX-UHFFFAOYSA-N	-1	1	248.282	1.714	20	70		BDIDMM
C[C@@H]1CC[C@H](C(=O)Nc2ccncc2[O-])O1	ZINC000159733382	350989806	/nfs/dbraw/zinc/98/98/06/350989806.db2.gz	OOFKNJWQVUEWOW-GMSGAONNSA-N	-1	1	222.244	1.293	20	70		BDIDMM
O=C(C(=O)N1CCCC1)c1ccc([O-])cc1	ZINC000217344464	388569447	/nfs/dbraw/zinc/56/94/47/388569447.db2.gz	DOIHFYMJQZGGKL-UHFFFAOYSA-N	-1	1	219.240	1.197	20	70		BDIDMM
CCC(CC)c1cc(C(=O)[N-]c2nc[nH]n2)on1	ZINC000161019326	346472614	/nfs/dbraw/zinc/47/26/14/346472614.db2.gz	SOWJNJLKLPEAGV-UHFFFAOYSA-N	-1	1	249.274	1.949	20	70		BDIDMM
CCOC(C)(C)CNC(=O)c1cncc([O-])c1	ZINC000159487752	170312678	/nfs/dbraw/zinc/31/26/78/170312678.db2.gz	GIMKAKHUCBNQQA-UHFFFAOYSA-N	-1	1	238.287	1.332	20	70		BDIDMM
CCc1nc(C(=O)Nc2ccncc2[O-])co1	ZINC000159371534	384006415	/nfs/dbraw/zinc/00/64/15/384006415.db2.gz	KSDLCRAZDPJBKV-UHFFFAOYSA-N	-1	1	233.227	1.590	20	70		BDIDMM
Cc1noc(NC(=O)c2ccccc2[O-])n1	ZINC000161304888	384966011	/nfs/dbraw/zinc/96/60/11/384966011.db2.gz	CVMZWBIUXJZJCS-UHFFFAOYSA-N	-1	1	219.200	1.336	20	70		BDIDMM
CCOC(C)(C)CNC(=O)c1ncccc1[O-]	ZINC000159489966	170312885	/nfs/dbraw/zinc/31/28/85/170312885.db2.gz	VAMHTGDXUPUYBC-UHFFFAOYSA-N	-1	1	238.287	1.332	20	70		BDIDMM
CC[C@@H](C)c1cc(C(=O)[N-]c2nc[nH]n2)on1	ZINC000161025156	349363793	/nfs/dbraw/zinc/36/37/93/349363793.db2.gz	BCMLOKFBSBPSDM-ZCFIWIBFSA-N	-1	1	235.247	1.559	20	70		BDIDMM
CS[C@@H](C)CNC(=O)c1cncc([O-])c1	ZINC000159532186	384443281	/nfs/dbraw/zinc/44/32/81/384443281.db2.gz	IHMLELFSCILZSS-ZETCQYMHSA-N	-1	1	226.301	1.269	20	70		BDIDMM
CC1=CCN(C(=O)c2ncccc2[O-])CC1	ZINC000160224933	168109310	/nfs/dbraw/zinc/10/93/10/168109310.db2.gz	IFNJLDLVPQHJOX-UHFFFAOYSA-N	-1	1	218.256	1.579	20	70		BDIDMM
CC1(C)C[C@H]1C(=O)Nc1n[n-]c(C(F)(F)F)n1	ZINC000160501981	384413779	/nfs/dbraw/zinc/41/37/79/384413779.db2.gz	QYQYNPBABHPFHI-BYPYZUCNSA-N	-1	1	248.208	1.808	20	70		BDIDMM
C[C@H](NC(=O)c1cncc([O-])c1)C1CCC1	ZINC000160225626	538884285	/nfs/dbraw/zinc/88/42/85/538884285.db2.gz	PSPZMYFNWAIQLX-QMMMGPOBSA-N	-1	1	220.272	1.706	20	70		BDIDMM
CS[C@H](C)CNC(=O)c1cncc([O-])c1	ZINC000159532303	388020503	/nfs/dbraw/zinc/02/05/03/388020503.db2.gz	IHMLELFSCILZSS-SSDOTTSWSA-N	-1	1	226.301	1.269	20	70		BDIDMM
C[C@@H](NC(=O)c1cncc([O-])c1)C1CCC1	ZINC000160225748	538884180	/nfs/dbraw/zinc/88/41/80/538884180.db2.gz	PSPZMYFNWAIQLX-MRVPVSSYSA-N	-1	1	220.272	1.706	20	70		BDIDMM
CC[C@H](C)c1cc(C(=O)[N-]c2nc[nH]n2)on1	ZINC000161025277	349363440	/nfs/dbraw/zinc/36/34/40/349363440.db2.gz	BCMLOKFBSBPSDM-LURJTMIESA-N	-1	1	235.247	1.559	20	70		BDIDMM
CC[C@@H]1CCC[C@@H]1NC(=O)c1cnn[nH]1	ZINC000159719685	350324427	/nfs/dbraw/zinc/32/44/27/350324427.db2.gz	GJTIVJZQAHSZIY-SFYZADRCSA-N	-1	1	208.265	1.113	20	70		BDIDMM