smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCN(c1ccc(/C=N\c2ccc(C(=O)[O-])cc2)o1)c1ccccc1	ZINC000039126883	213231469	/nfs/dbraw/zinc/23/14/69/213231469.db2.gz	KBJAFDOJNPNIQB-STZFKDTASA-N	-1	0	334.375	4.886	10	30		EJEERM
[O-]c1c(Cl)cc(Cl)cc1/C=N/CCc1c[nH]c2ccccc12	ZINC000003129901	564130096	/nfs/dbraw/zinc/13/00/96/564130096.db2.gz	SRVXIPIZDZSTBR-AWQFTUOYSA-N	-1	0	333.218	4.842	10	30		EJEERM
Cc1cc([N+](=O)[O-])ccc1/N=C\c1cc(Cl)cc(Cl)c1[O-]	ZINC000100483976	219100396	/nfs/dbraw/zinc/10/03/96/219100396.db2.gz	WYSDZTNSQRTYIC-IDUWFGFVSA-N	-1	0	325.151	4.666	10	30		EJEERM
O=C(/C=C\c1ccccc1)c1ccc(OCc2ccccc2)cc1[O-]	ZINC000033374162	202259214	/nfs/dbraw/zinc/25/92/14/202259214.db2.gz	KPEOHUHJHWKEQL-KAMYIIQDSA-N	-1	0	330.383	4.867	10	30		EJEERM
CCCCCCCc1c(O)c2cccc3c4c(n(c32)c1=O)CCCC4	ZINC000100294993	563982498	/nfs/dbraw/zinc/98/24/98/563982498.db2.gz	ZJFBENCGWUZQCF-UHFFFAOYSA-N	-1	0	337.463	4.988	10	30		EJEERM
CCCCCCCCCCCCCCCC(=O)[N-]S(C)(=O)=O	ZINC000100036510	219088815	/nfs/dbraw/zinc/08/88/15/219088815.db2.gz	WPJZZIIQJZSOGP-UHFFFAOYSA-N	-1	0	333.538	4.544	10	30		EJEERM
O=C(/C=C\c1ccccc1)c1cc(Br)cc(Cl)c1[O-]	ZINC000035223964	213015301	/nfs/dbraw/zinc/01/53/01/213015301.db2.gz	XBCLKGQCOVFKAG-SREVYHEPSA-N	-1	0	337.600	4.704	10	30		EJEERM
CCCCCCCC[C@H](C)N(CCCCCCC(=O)[O-])C(N)=O	ZINC000169334138	528132886	/nfs/dbraw/zinc/13/28/86/528132886.db2.gz	AUPQBUVPHKUDSE-INIZCTEOSA-N	-1	0	328.497	4.541	10	30		EJEERM
COc1c(/C=C\C(=O)c2ccc(O)cc2)ccc(O)c1CC=C(C)C	ZINC000095912836	291012340	/nfs/dbraw/zinc/01/23/40/291012340.db2.gz	WBDNTJSRHDSPSR-GHXNOFRVSA-N	-1	0	338.403	4.511	10	30	biogenic,in-vitro	EJEERM
C=C(C)[C@H](C)c1cc(/C=C/C(=O)c2ccc(O)cc2)c(OC)cc1O	ZINC000038342865	213207453	/nfs/dbraw/zinc/20/74/53/213207453.db2.gz	SWPKMTGYQGHLJS-RNVIBTMRSA-N	-1	0	338.403	4.682	10	30		EJEERM
C[C@H](C(=O)[O-])[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C	ZINC000006030253	210579491	/nfs/dbraw/zinc/57/94/91/210579491.db2.gz	OZESBBVMFLIODA-WAMTXRNCSA-N	-1	0	342.479	4.631	10	30	in-vitro	EJEERM
Cc1ccc(N=CC(Cl)=C(Nc2ccc(C)cc2)C(=O)[O-])cc1	ZINC000003172853	563475599	/nfs/dbraw/zinc/47/55/99/563475599.db2.gz	BIYOLMRQSWXRRI-LEUNCSNDSA-N	-1	0	328.799	4.653	10	30		EJEERM
[O-]c1c(Cl)cc(C=NNc2nc3ccccc3s2)cc1Cl	ZINC000103105586	219255622	/nfs/dbraw/zinc/25/56/22/219255622.db2.gz	UKNRBTLCZIUIKV-IDUWFGFVSA-N	-1	0	338.219	4.755	10	30		EJEERM
C/C(=N/OCc1cccc(C(=O)[O-])c1)c1ccc(Cl)c(Cl)c1	ZINC000012367245	211357463	/nfs/dbraw/zinc/35/74/63/211357463.db2.gz	PZPQHDWFTUNGCU-GRSHGNNSSA-N	-1	0	338.190	4.632	10	30		EJEERM
O=C([O-])CCCCC(=NNc1cccc2ccccc21)c1ccccn1	ZINC000035548994	213037877	/nfs/dbraw/zinc/03/78/77/213037877.db2.gz	VTXFMXJKRYUOIB-GFMRDNFCSA-N	-1	0	347.418	4.696	10	30		EJEERM
O=C1C(=O)C(C2CCC(c3ccccc3)CC2)=C([O-])c2ccccc21	ZINC000022056063	212274108	/nfs/dbraw/zinc/27/41/08/212274108.db2.gz	CIEUSZBTKKXKPA-UHFFFAOYSA-N	-1	0	332.399	4.852	10	30	in-vitro	EJEERM
C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)C(=O)[O-]	ZINC000218047844	564130095	/nfs/dbraw/zinc/13/00/95/564130095.db2.gz	RKERCEDUZVOFRX-BJRACPDASA-N	-1	0	344.495	4.877	10	30		EJEERM
Cc1ccc([N+](=O)[O-])cc1/N=C\c1cc(Cl)cc(Cl)c1[O-]	ZINC000100102903	219091313	/nfs/dbraw/zinc/09/13/13/219091313.db2.gz	ZYQVEESREGPKQQ-IDUWFGFVSA-N	-1	0	325.151	4.666	10	30		EJEERM