smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C(=NNc1nc2ccccc2[nH]1)c1ccccc1OCc1ccccc1	ZINC000030885340	518380937	/nfs/dbraw/zinc/38/09/37/518380937.db2.gz	XVYURBUIQDMTTN-HMAPJEAMSA-N	0	1	342.402	4.588	10	30		EJEEMN
Oc1c(Cl)cc(Cl)cc1/C=N/CCc1c[nH]c2ccccc12	ZINC000003129901	564130097	/nfs/dbraw/zinc/13/00/97/564130097.db2.gz	SRVXIPIZDZSTBR-AWQFTUOYSA-N	0	1	333.218	4.842	10	30		EJEEMN
O=C(/C=C\c1ccccc1)c1ccc(OCc2ccccc2)cc1O	ZINC000033374162	202259217	/nfs/dbraw/zinc/25/92/17/202259217.db2.gz	KPEOHUHJHWKEQL-KAMYIIQDSA-N	0	1	330.383	4.867	10	30		EJEEMN
CC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccc(C)cc1	ZINC000000106725	563228388	/nfs/dbraw/zinc/22/83/88/563228388.db2.gz	RFOBMUHWOVIWSF-JOCHJYFZSA-N	0	1	346.430	4.522	10	30		EJEEMN
O=C1CCCC2=C1[C@@H](c1cccs1)c1c(n[nH]c1-c1ccccc1)N2	ZINC000006733063	564096631	/nfs/dbraw/zinc/09/66/31/564096631.db2.gz	GPNZVAMMPJSZBO-QGZVFWFLSA-N	0	1	347.443	4.703	10	30		EJEEMN
CC(=O)Nc1ccc(C)c(/N=C/c2cc(Cl)cc(Cl)c2O)c1	ZINC000100010425	219088386	/nfs/dbraw/zinc/08/83/86/219088386.db2.gz	HGGQYWJHZUQETM-UFWORHAWSA-N	0	1	337.206	4.716	10	30		EJEEMN
CCOc1ccc(C=Nc2ccc3nc(C(F)(F)F)[nH]c3c2)cc1	ZINC000005939590	563554720	/nfs/dbraw/zinc/55/47/20/563554720.db2.gz	KIKPQHBHDOMAFZ-UFFVCSGVSA-N	0	1	333.313	4.731	10	30		EJEEMN
COc1ccc2cc(C(C)N=Nc3cccc([N+](=O)[O-])c3)ccc2c1	ZINC000004921278	210324206	/nfs/dbraw/zinc/32/42/06/210324206.db2.gz	KGFNEEMKGZZWKN-DEDYPNTBSA-N	0	1	335.363	4.593	10	30		EJEEMN
Brc1cccc(C=NN=c2[nH]c3ccccc3s2)c1	ZINC000033681694	202268105	/nfs/dbraw/zinc/26/81/05/202268105.db2.gz	VCJLQJPSEKWOJU-SXGWCWSVSA-N	0	1	332.226	4.505	10	30		EJEEMN
CC(N=Nc1ccc(F)cc1F)c1ccccc1Br	ZINC000038203989	202399498	/nfs/dbraw/zinc/39/94/98/202399498.db2.gz	SFMCBOJUDYZQTD-NVMNQCDNSA-N	0	1	325.156	4.563	10	30		EJEEMN
CCOc1ccc(CC/N=C/c2ccc(Cl)cc2)cc1OCC	ZINC000102018376	219181087	/nfs/dbraw/zinc/18/10/87/219181087.db2.gz	HQKBCOCMCFPBNL-KGENOOAVSA-N	0	1	331.843	4.799	10	30		EJEEMN
CCOc1cc2nccc(Nc3ccc(C#N)cc3)c2cc1OCC	ZINC000054202428	214225295	/nfs/dbraw/zinc/22/52/95/214225295.db2.gz	DKINQJRFNNBQON-UHFFFAOYSA-N	0	1	333.391	4.647	10	30		EJEEMN
CCCCOc1ccc(C=[NH+][N-]c2nc3ccccc3s2)cc1	ZINC000033453143	202261929	/nfs/dbraw/zinc/26/19/29/202261929.db2.gz	GCICLXRBEHBCLU-UYRXBGFRSA-N	0	1	325.437	4.921	10	30		EJEEMN
CC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccc(C)cc1	ZINC000000106721	563228417	/nfs/dbraw/zinc/22/84/17/563228417.db2.gz	RFOBMUHWOVIWSF-QFIPXVFZSA-N	0	1	346.430	4.522	10	30		EJEEMN
O=C1CCCC2=C1[C@H](c1cccs1)c1c(n[nH]c1-c1ccccc1)N2	ZINC000006733062	564096634	/nfs/dbraw/zinc/09/66/34/564096634.db2.gz	GPNZVAMMPJSZBO-KRWDZBQOSA-N	0	1	347.443	4.703	10	30		EJEEMN
CC[C@@H](C)N=C(Nc1nccs1)Nc1cc(C)nc2ccccc21	ZINC000001842133	201359618	/nfs/dbraw/zinc/35/96/18/201359618.db2.gz	MBHYXGIPAYUKIJ-GFCCVEGCSA-N	0	1	339.468	4.678	10	30		EJEEMN
Cc1ccc([N+](=O)[O-])cc1/N=C\c1cc(Cl)cc(Cl)c1O	ZINC000100102903	219091317	/nfs/dbraw/zinc/09/13/17/219091317.db2.gz	ZYQVEESREGPKQQ-IDUWFGFVSA-N	0	1	325.151	4.666	10	30		EJEEMN
O=C(/C=C\C1=C(N2CCCCC2)Cc2ccccc21)c1ccccc1	ZINC000033376568	202259632	/nfs/dbraw/zinc/25/96/32/202259632.db2.gz	JFHWRRJQZRMKEI-YPKPFQOOSA-N	0	1	329.443	4.879	10	30		EJEEMN
CSc1cccc(NC(=N)Nc2cc(SC)ccc2Cl)c1	ZINC000035931371	202311049	/nfs/dbraw/zinc/31/10/49/202311049.db2.gz	WRCQAVVHFIRQLI-UHFFFAOYSA-N	0	1	337.901	4.842	10	30		EJEEMN