smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOc1cccc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)c1OCC(=O)[O-]	ZINC000409218415	560697757	/nfs/dbraw/zinc/69/77/57/560697757.db2.gz	VAORSWFQOUWNSX-PTNGSMBKSA-N	-1	2	410.382	2.215	40	10		HECBLM
O=C([O-])COc1c(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-]	ZINC000033863974	569360670	/nfs/dbraw/zinc/36/06/70/569360670.db2.gz	SNMISXJIVCJRPJ-SDQBBNPISA-N	-1	2	417.761	2.173	40	10		HECBLM
O=C([O-])COc1cccc(/C=C2/C(=O)NC(=O)N(c3ccccc3Cl)C2=O)c1	ZINC000409069106	560672657	/nfs/dbraw/zinc/67/26/57/560672657.db2.gz	WGISXHOIWCDZEY-LCYFTJDESA-N	-1	2	400.774	2.470	40	10		HECBLM
COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)ccc1OCC(=O)[O-]	ZINC000408775025	560639502	/nfs/dbraw/zinc/63/95/02/560639502.db2.gz	FGCYLRVGAZHYAL-CXUHLZMHSA-N	-1	2	424.409	2.442	40	10		HECBLM
O=C([O-])COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc1	ZINC000409048408	560669737	/nfs/dbraw/zinc/66/97/37/560669737.db2.gz	SVQLHCNEMXILMK-UKTHLTGXSA-N	-1	2	400.774	2.470	40	10		HECBLM
CCOc1cc2c(cc1/C=C1/C(=O)NC(=O)N(c3cccc(C(=O)[O-])c3)C1=O)OCO2	ZINC000009259674	132337696	/nfs/dbraw/zinc/33/76/96/132337696.db2.gz	GIXCHUXJSGGHTG-AUWJEWJLSA-N	-1	2	424.365	2.179	40	10		HECBLM
Cc1nnc(NS(=O)(=O)c2ccc(N=Nc3sc(=S)[nH]c3[O-])cc2)s1	ZINC000104123437	559158214	/nfs/dbraw/zinc/15/82/14/559158214.db2.gz	IWBXWZSIKAASOK-JRELAMLQSA-N	-1	2	414.519	2.205	40	10		HECBLM
O=C([O-])COc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)cc1[N+](=O)[O-]	ZINC000107966968	569361241	/nfs/dbraw/zinc/36/12/41/569361241.db2.gz	AUHJAUREOACDSF-QPEQYQDCSA-N	-1	2	417.761	2.173	40	10		HECBLM
Cc1ccnc(NS(=O)(=O)c2ccc(N=Nc3sc(=S)[nH]c3[O-])cc2)n1	ZINC000104123392	559158172	/nfs/dbraw/zinc/15/81/72/559158172.db2.gz	QRHQRAKZPLHEEN-OUIWWDRTSA-N	-1	2	408.490	2.144	40	10		HECBLM
Cc1ccnc(NS(=O)(=O)c2ccc(N=Nc3sc(=S)[nH]c3[O-])cc2)n1	ZINC000104123398	559158166	/nfs/dbraw/zinc/15/81/66/559158166.db2.gz	QRHQRAKZPLHEEN-RUWSDDDDSA-N	-1	2	408.490	2.144	40	10		HECBLM
COc1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3O[C@H](C)C(=O)[O-])C2=O)cc1	ZINC000409189309	560688673	/nfs/dbraw/zinc/68/86/73/560688673.db2.gz	PFNBEOBLELQQOJ-PILJQMSFSA-N	-1	2	410.382	2.214	40	10		HECBLM
O=C([O-])COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1Cl	ZINC000409044989	560669276	/nfs/dbraw/zinc/66/92/76/560669276.db2.gz	WXVITAGZJKNWIP-NTUHNPAUSA-N	-1	2	416.773	2.175	40	10		HECBLM
O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc([N+](=O)[O-])c([O-])cc1O	ZINC000408723596	557772973	/nfs/dbraw/zinc/77/29/73/557772973.db2.gz	XLTXOIOWIQTADI-VZUCSPMQSA-N	-1	2	419.802	2.491	40	10		HECBLM
O=C([O-])c1cccc(-n2cccc2/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)c1	ZINC000409396055	560721128	/nfs/dbraw/zinc/72/11/28/560721128.db2.gz	VUQFYJQTZFMVEK-SFQUDFHCSA-N	-1	2	402.366	2.237	40	10		HECBLM
O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cc([N+](=O)[O-])c([O-])cc1O	ZINC000408722791	557771805	/nfs/dbraw/zinc/77/18/05/557771805.db2.gz	NGHMHPVDHQNWDX-NYYWCZLTSA-N	-1	2	419.802	2.491	40	10		HECBLM
COc1cccc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)c1O[C@@H](C)C(=O)[O-]	ZINC000409232528	560700578	/nfs/dbraw/zinc/70/05/78/560700578.db2.gz	QQLATLOBUQKLRS-YGRGUWMTSA-N	-1	2	410.382	2.214	40	10		HECBLM
Cc1nnc(NS(=O)(=O)c2ccc(N=Nc3sc(=S)[nH]c3[O-])cc2)s1	ZINC000104123433	559158131	/nfs/dbraw/zinc/15/81/31/559158131.db2.gz	IWBXWZSIKAASOK-OGNJIVFWSA-N	-1	2	414.519	2.205	40	10		HECBLM
O=C([O-])COc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O	ZINC000408783701	560641206	/nfs/dbraw/zinc/64/12/06/560641206.db2.gz	QGWZLSXGMHYVJM-NTEUORMPSA-N	-1	2	400.774	2.470	40	10		HECBLM
CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc1OC	ZINC000408937344	560656291	/nfs/dbraw/zinc/65/62/91/560656291.db2.gz	IXRUQIYJNLGTFE-XNTDXEJSSA-N	-1	2	410.382	2.459	40	10		HECBLM
Cc1nnc(NS(=O)(=O)c2ccc(N=Nc3sc(=S)[nH]c3[O-])cc2)s1	ZINC000104123442	559158197	/nfs/dbraw/zinc/15/81/97/559158197.db2.gz	IWBXWZSIKAASOK-ZAUPALIDSA-N	-1	2	414.519	2.205	40	10		HECBLM
O=C([O-])COc1cccc(/C=C2/C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)c1	ZINC000409068033	560672615	/nfs/dbraw/zinc/67/26/15/560672615.db2.gz	FKLVXFIRVZVROJ-NVNXTCNLSA-N	-1	2	400.774	2.470	40	10		HECBLM
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(Cl)c1O	ZINC000408935972	560656008	/nfs/dbraw/zinc/65/60/08/560656008.db2.gz	FJQWGUJJYLCIDS-WUXMJOGZSA-N	-1	2	416.773	2.419	40	10		HECBLM
O=C([O-])COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1	ZINC000409046400	560669523	/nfs/dbraw/zinc/66/95/23/560669523.db2.gz	KLMDCTDIBAMPAZ-OVCLIPMQSA-N	-1	2	400.774	2.470	40	10		HECBLM
O=C([O-])c1cc(NC=C2C(=O)NC(=O)N(c3ccccc3Cl)C2=O)ccc1O	ZINC000408527832	557288283	/nfs/dbraw/zinc/28/82/83/557288283.db2.gz	GNEIFVIIKAGZMJ-DHZHZOJOSA-N	-1	2	401.762	2.323	40	10		HECBLM
Cc1ccnc(NS(=O)(=O)c2ccc(N=Nc3sc(=S)[nH]c3[O-])cc2)n1	ZINC000104123401	559158178	/nfs/dbraw/zinc/15/81/78/559158178.db2.gz	QRHQRAKZPLHEEN-AKDSAVJFSA-N	-1	2	408.490	2.144	40	10		HECBLM
COc1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3O[C@@H](C)C(=O)[O-])C2=O)cc1	ZINC000409189308	560688743	/nfs/dbraw/zinc/68/87/43/560688743.db2.gz	PFNBEOBLELQQOJ-JASJWYONSA-N	-1	2	410.382	2.214	40	10		HECBLM
O=C([O-])COc1ccccc1/C=C1\C(=O)NC(=O)N(c2cccc(Cl)c2)C1=O	ZINC000409046233	560669443	/nfs/dbraw/zinc/66/94/43/560669443.db2.gz	JKXOFADFGBQLGI-RIYZIHGNSA-N	-1	2	400.774	2.470	40	10		HECBLM
CCOc1ccc(C(=O)[O-])cc1/C=C1\C(=O)NC(=O)N(c2ccc(OC)cc2)C1=O	ZINC000408827124	560645655	/nfs/dbraw/zinc/64/56/55/560645655.db2.gz	UQCHIVQNNZFNOP-LFIBNONCSA-N	-1	2	410.382	2.459	40	10		HECBLM
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)ccc1OC	ZINC000408936501	560656022	/nfs/dbraw/zinc/65/60/22/560656022.db2.gz	KPIUPWJZHGCTSV-XNTDXEJSSA-N	-1	2	410.382	2.459	40	10		HECBLM
CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cccc(OCC(=O)[O-])c3)C2=O)cc1	ZINC000409072938	560673588	/nfs/dbraw/zinc/67/35/88/560673588.db2.gz	FKZQDMRYZQEPGS-BOPFTXTBSA-N	-1	2	410.382	2.215	40	10		HECBLM
O=C([O-])COc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(O)cc2)C1=O	ZINC000409042819	560669056	/nfs/dbraw/zinc/66/90/56/560669056.db2.gz	CVYKNSSXMGTOPQ-RIYZIHGNSA-N	-1	2	416.773	2.175	40	10		HECBLM
O=C([O-])c1ccc(-n2cccc2/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)cc1	ZINC000409390222	560720656	/nfs/dbraw/zinc/72/06/56/560720656.db2.gz	DQOIIAYRWCOILF-SFQUDFHCSA-N	-1	2	402.366	2.237	40	10		HECBLM
Cc1nnc(NS(=O)(=O)c2ccc(N=Nc3sc(=S)[nH]c3[O-])cc2)s1	ZINC000104123430	559158150	/nfs/dbraw/zinc/15/81/50/559158150.db2.gz	IWBXWZSIKAASOK-GLTXTHCDSA-N	-1	2	414.519	2.205	40	10		HECBLM
O=C([O-])COc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccccc2Cl)C1=O	ZINC000409047383	560669746	/nfs/dbraw/zinc/66/97/46/560669746.db2.gz	OMEFAWPRQDVVFI-FMIVXFBMSA-N	-1	2	400.774	2.470	40	10		HECBLM
O=C([O-])COc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccccc2)C1=O	ZINC000409050001	560669942	/nfs/dbraw/zinc/66/99/42/560669942.db2.gz	ZHCPHIHFLYKCHR-NTEUORMPSA-N	-1	2	400.774	2.470	40	10		HECBLM
Cc1ccnc(NS(=O)(=O)c2ccc(N=Nc3sc(=S)[nH]c3[O-])cc2)n1	ZINC000104123405	559158123	/nfs/dbraw/zinc/15/81/23/559158123.db2.gz	QRHQRAKZPLHEEN-ROHOOWMXSA-N	-1	2	408.490	2.144	40	10		HECBLM
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1OCC(=O)[O-]	ZINC000408770880	560638703	/nfs/dbraw/zinc/63/87/03/560638703.db2.gz	ASRRJHANRKBWPK-OQLLNIDSSA-N	-1	2	410.382	2.133	40	10		HECBLM
CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc1C(=O)[O-]	ZINC000006351477	132310469	/nfs/dbraw/zinc/31/04/69/132310469.db2.gz	UUZGEOMJRBSLFC-LFIBNONCSA-N	-1	2	410.382	2.459	40	10		HECBLM
O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1[O-]	ZINC000408965637	560659002	/nfs/dbraw/zinc/65/90/02/560659002.db2.gz	LBOCQZGONUUGAI-WUXMJOGZSA-N	-1	2	416.277	2.014	40	10		HECBLM
COc1cccc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)c1O[C@H](C)C(=O)[O-]	ZINC000409232527	560700501	/nfs/dbraw/zinc/70/05/01/560700501.db2.gz	QQLATLOBUQKLRS-PKVLTRFUSA-N	-1	2	410.382	2.214	40	10		HECBLM
CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3OCC(=O)[O-])C2=O)cc1	ZINC000002281291	132251361	/nfs/dbraw/zinc/25/13/61/132251361.db2.gz	SHBSIGOCIBABAJ-LFIBNONCSA-N	-1	2	410.382	2.215	40	10		HECBLM