smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=[N+]([O-])c1ccc(O)c(/C=N/c2ccc(/C=C/c3ccccc3)cc2)c1	ZINC000000045077	209388203	/nfs/dbraw/zinc/38/82/03/209388203.db2.gz	RVLRAVPRXNIHSJ-SZLWHGHRSA-N	0	2	344.370	5.221	50	30		EKEALN
C[C@H]1C/C(=N\N=C\c2cc(Cl)cc(Cl)c2O)c2ccccc21	ZINC000000164961	563249163	/nfs/dbraw/zinc/24/91/63/563249163.db2.gz	DEIJNYLNSAXKKD-TYMFGHGZSA-N	0	2	333.218	5.029	50	30		EKEALN
CC(C)n1c2ccccc2nc1/N=C/c1cc(Cl)cc(Cl)c1O	ZINC000000506331	564019515	/nfs/dbraw/zinc/01/95/15/564019515.db2.gz	SLOTZDCKKUZJLB-AWQFTUOYSA-N	0	2	348.233	5.380	50	30		EKEALN
C[C@@H]1C/C(=N\N=C\c2cc(Cl)cc(Cl)c2O)c2ccccc21	ZINC000001037264	563369648	/nfs/dbraw/zinc/36/96/48/563369648.db2.gz	DEIJNYLNSAXKKD-FNYPHWCXSA-N	0	2	333.218	5.029	50	30		EKEALN
Oc1c(Cl)cc(Cl)cc1/C=N/c1ncc(Cl)cc1Cl	ZINC000001045292	563370107	/nfs/dbraw/zinc/37/01/07/563370107.db2.gz	LVEZIUOQELFXOH-HAVNEIBRSA-N	0	2	336.005	5.151	50	30		EKEALN
Oc1ccc(/N=C/c2ccccc2Cl)cc1-c1nc2ccccc2o1	ZINC000001510950	564075016	/nfs/dbraw/zinc/07/50/16/564075016.db2.gz	JJXPWMCPFZYGEM-WSDLNYQXSA-N	0	2	348.789	5.604	50	30		EKEALN
CCCCCCCCOc1ccc(C(=O)c2ccccc2O)c(O)c1	ZINC000002025371	563418294	/nfs/dbraw/zinc/41/82/94/563418294.db2.gz	XRCGPZWJUXJKJF-UHFFFAOYSA-N	0	2	342.435	5.068	50	30		EKEALN
CCN(CC)c1ccc(/C=C/C(=O)c2ccc3ccccc3c2O)cc1	ZINC000004043645	210107941	/nfs/dbraw/zinc/10/79/41/210107941.db2.gz	TUXVYUCFGNWJBA-LFIBNONCSA-N	0	2	345.442	5.288	50	30		EKEALN
O=[N+]([O-])c1ccc(/N=C/c2cc(Cl)cc(Cl)c2O)c(Cl)c1	ZINC000004299691	210163396	/nfs/dbraw/zinc/16/33/96/210163396.db2.gz	GAQFJIIBQPHCEE-UBKPWBPPSA-N	0	2	345.569	5.011	50	30		EKEALN
Oc1c(Cl)cc(Cl)cc1C=NNc1cccc(C(F)(F)F)c1	ZINC000004323702	210169877	/nfs/dbraw/zinc/16/98/77/210169877.db2.gz	TVJWQWUPUAZLMR-IFRROFPPSA-N	0	2	349.139	5.164	50	30		EKEALN
O=C(/C=C/c1ccc(Cl)cc1Cl)c1cc(Cl)ccc1O	ZINC000004722705	210260121	/nfs/dbraw/zinc/26/01/21/210260121.db2.gz	BKAQLPYRQWWKRT-GORDUTHDSA-N	0	2	327.594	5.249	50	30		EKEALN
Oc1c(C=NN(c2ccccc2)c2ccccc2)sc2ccccc12	ZINC000004833716	210292485	/nfs/dbraw/zinc/29/24/85/210292485.db2.gz	KJHNDQKPOSIKJE-PXLXIMEGSA-N	0	2	344.439	5.779	50	30		EKEALN
O=C1c2ccccc2SC1C=NN(c1ccccc1)c1ccccc1	ZINC000004833716	210292482	/nfs/dbraw/zinc/29/24/82/210292482.db2.gz	KJHNDQKPOSIKJE-PXLXIMEGSA-N	0	2	344.439	5.779	50	30		EKEALN
CC(C)(C)C1=CC(=Nc2ccccc2S)C=C(C(C)(C)C)C1=O	ZINC000004834302	210291730	/nfs/dbraw/zinc/29/17/30/210291730.db2.gz	GCQMTPRTHQSYBD-UHFFFAOYSA-N	0	2	327.493	5.576	50	30		EKEALN
CC1=CC(=O)C(C(=NO)c2ccccc2)=CC1=NNc1ccccc1	ZINC000005538669	563537635	/nfs/dbraw/zinc/53/76/35/563537635.db2.gz	RFPIRUZZTBPUQZ-VWXSODCQSA-N	0	2	331.375	5.343	50	30		EKEALN
Oc1c(Cl)cc(Cl)cc1/C=N/N=C1/C[C@@H](c2ccccc2)N=N1	ZINC000018121752	564018291	/nfs/dbraw/zinc/01/82/91/564018291.db2.gz	SSLZZBFLKKIIFH-CVZQCJKPSA-N	0	2	347.205	5.029	50	30		EKEALN
Oc1c(Cl)cc(Cl)cc1/C=N/N=C1/C[C@H](c2ccccc2)N=N1	ZINC000018121753	211982897	/nfs/dbraw/zinc/98/28/97/211982897.db2.gz	SSLZZBFLKKIIFH-IBHNMFLHSA-N	0	2	347.205	5.029	50	30		EKEALN
Oc1c(Cl)cc(Cl)cc1/C=N/N=C1\C[C@@H](c2ccccc2)N=N1	ZINC000100825126	563982774	/nfs/dbraw/zinc/98/27/74/563982774.db2.gz	SSLZZBFLKKIIFH-NEBSTMCYSA-N	0	2	347.205	5.029	50	30		EKEALN
Oc1c(Cl)cc(Cl)cc1/C=N/N=C1\C[C@H](c2ccccc2)N=N1	ZINC000100825127	219108038	/nfs/dbraw/zinc/10/80/38/219108038.db2.gz	SSLZZBFLKKIIFH-XJTBTYHLSA-N	0	2	347.205	5.029	50	30		EKEALN
CCCCCCCCCCCCCCCc1ccc([N+](=O)[O-])c(O)c1	ZINC000100971629	257910967	/nfs/dbraw/zinc/91/09/67/257910967.db2.gz	UGXPHFZVHAMBSS-UHFFFAOYSA-N	0	2	349.515	6.934	50	30		EKEALN
CCCCCCCCCCCCc1ccc(C(O)=CC(=O)OC)cc1	ZINC000101016124	564177725	/nfs/dbraw/zinc/17/77/25/564177725.db2.gz	XTHNTLJOQDIBRV-UHFFFAOYSA-N	0	2	346.511	5.896	50	30		EKEALN