smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])c1ccc(Cl)c(-c2ccc(/C=C3\C(=O)NC(=O)N(c4ccccc4)C3=O)o2)c1	ZINC000002782950	132257086	/nfs/dbraw/zinc/25/70/86/132257086.db2.gz	KRHLWXCOXRGGLK-LFIBNONCSA-N	-1	2	436.807	3.965	50	10		IHCALM
Cc1cc(C=C2C(=O)NC(=O)N(c3ccccc3C)C2=O)c(C)n1-c1cccc(C(=O)[O-])c1	ZINC000009265417	132311985	/nfs/dbraw/zinc/31/19/85/132311985.db2.gz	PCSUIKLJCSABCI-MOSHPQCFSA-N	-1	2	443.459	3.767	50	10		IHCALM
CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4cccc(C(=O)[O-])c4)o3)C2=O)cc1	ZINC000002777086	132257146	/nfs/dbraw/zinc/25/71/46/132257146.db2.gz	UZJMLXHRSOGLHI-CPNJWEJPSA-N	-1	2	446.415	3.710	50	10		IHCALM
CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1O[C@@H](C)C(=O)[O-]	ZINC000014011053	535659727	/nfs/dbraw/zinc/65/97/27/535659727.db2.gz	AYBWOJCCHKEQGJ-FMNVXAMXSA-N	-1	2	438.436	3.752	50	10		IHCALM
CCOc1cc(C=C2C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)ccc1OCC(=O)[O-]	ZINC000016225883	568873458	/nfs/dbraw/zinc/87/34/58/568873458.db2.gz	PWJGNIYRQWMJSG-NVNXTCNLSA-N	-1	2	444.827	3.709	50	10		IHCALM
Cc1cc(C=C2C(=O)NC(=O)N(c3ccccc3C)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1	ZINC000009493454	569540773	/nfs/dbraw/zinc/54/07/73/569540773.db2.gz	CEVJXXJRLXGMKP-DEDYPNTBSA-N	-1	2	443.459	3.767	50	10		IHCALM
COc1ccc(OC)c(S(=O)(=O)Nc2cc(SCC(=O)[O-])c(O)c3ccccc23)c1	ZINC000001926257	555725132	/nfs/dbraw/zinc/72/51/32/555725132.db2.gz	FPTMIZJURSOJKZ-UHFFFAOYSA-N	-1	2	449.506	3.540	50	10		IHCALM
Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1	ZINC000002209164	132248825	/nfs/dbraw/zinc/24/88/25/132248825.db2.gz	DHDSBNKKVGECOV-UDWIEESQSA-N	-1	2	447.422	3.598	50	10		IHCALM
Cc1cc(C=C2C(=O)NC(=O)N(c3ccccc3C)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1	ZINC000009265357	132311921	/nfs/dbraw/zinc/31/19/21/132311921.db2.gz	CEVJXXJRLXGMKP-MOSHPQCFSA-N	-1	2	443.459	3.767	50	10		IHCALM
COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)c([O-])c(Cl)c3)C2=O)cc1	ZINC000034234342	556807037	/nfs/dbraw/zinc/80/70/37/556807037.db2.gz	XCJLCDKUYGSXQI-SDQBBNPISA-N	-1	2	435.219	3.992	50	10		IHCALM
O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)C1=Cc1ccc([O-])c([N+](=O)[O-])c1	ZINC000015799898	557464120	/nfs/dbraw/zinc/46/41/20/557464120.db2.gz	QTYWZYNKKDRRLE-KPKJPENVSA-N	-1	2	432.186	3.570	50	10		IHCALM
Cc1ccc(-c2csc(NS(=O)(=O)c3ccc(Br)c(C(=O)[O-])c3)n2)o1	ZINC000003328424	569446315	/nfs/dbraw/zinc/44/63/15/569446315.db2.gz	ZGTPZFUWDSWDJA-UHFFFAOYSA-N	-1	2	443.300	3.973	50	10		IHCALM
CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4cccc(C(=O)[O-])c4)o3)C2=O)cc1	ZINC000012411810	521037747	/nfs/dbraw/zinc/03/77/47/521037747.db2.gz	UZJMLXHRSOGLHI-UYRXBGFRSA-N	-1	2	446.415	3.710	50	10		IHCALM
O=C([O-])c1ccccc1-c1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)o1	ZINC000013616195	132351884	/nfs/dbraw/zinc/35/18/84/132351884.db2.gz	MFYTZUHJUPEELC-GZTJUZNOSA-N	-1	2	436.807	3.965	50	10		IHCALM
O=C([O-])c1cccc(-c2ccc(C=C3C(=O)NC(=O)N(c4ccc5c(c4)OCO5)C3=O)o2)c1	ZINC000013800017	132354497	/nfs/dbraw/zinc/35/44/97/132354497.db2.gz	FCFRMHGBIBSIKX-YBEGLDIGSA-N	-1	2	446.371	3.880	50	10		IHCALM
Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)c([O-])c(Br)c3)C2=O)cc1	ZINC000001215181	132240118	/nfs/dbraw/zinc/24/01/18/132240118.db2.gz	ZFUWDBVVCMAAJR-WUXMJOGZSA-N	-1	2	435.661	3.783	50	10		IHCALM
CCOc1cc(C=C2C(=O)NC(=O)N(c3ccccc3C)C2=O)ccc1O[C@@H](C)C(=O)[O-]	ZINC000014011047	535658454	/nfs/dbraw/zinc/65/84/54/535658454.db2.gz	ALKQRNANASUZHA-HNDQUVLASA-N	-1	2	438.436	3.752	50	10		IHCALM
O=C([O-])c1cccc(-c2ccc(/C=C3\C(=O)NN(c4ccc(F)c(Cl)c4)C3=O)o2)c1	ZINC000002929102	569425976	/nfs/dbraw/zinc/42/59/76/569425976.db2.gz	LBVSJAICDNLLEY-XNTDXEJSSA-N	-1	2	426.787	3.899	50	10		IHCALM
Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1	ZINC000004047883	132268895	/nfs/dbraw/zinc/26/88/95/132268895.db2.gz	UVYBUVXTOVILPS-FYJGNVAPSA-N	-1	2	443.459	3.767	50	10		IHCALM
O=C([O-])COc1c(Cl)cc(C=C2C(=O)NC(=O)N(c3ccccc3)C2=O)cc1Cl	ZINC000013809860	132354763	/nfs/dbraw/zinc/35/47/63/132354763.db2.gz	YBAUIRPTPBNZTF-SDQBBNPISA-N	-1	2	435.219	3.964	50	10		IHCALM
O=C([O-])c1ccccc1-c1ccc(C=C2C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)o1	ZINC000015799272	557463972	/nfs/dbraw/zinc/46/39/72/557463972.db2.gz	XUXXLGUXTCGTMM-MHWRWJLKSA-N	-1	2	446.371	3.880	50	10		IHCALM
Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)c([O-])c(Br)c3)C2=O)cc1	ZINC000009311445	132313469	/nfs/dbraw/zinc/31/34/69/132313469.db2.gz	ZFUWDBVVCMAAJR-SDQBBNPISA-N	-1	2	435.661	3.783	50	10		IHCALM
O=C([O-])c1ccc(-c2ccc(/C=C3/C(=O)NN(c4ccc(F)c(Cl)c4)C3=O)o2)cc1	ZINC000015769584	568822123	/nfs/dbraw/zinc/82/21/23/568822123.db2.gz	UIDUKNQMKWGBON-GDNBJRDFSA-N	-1	2	426.787	3.899	50	10		IHCALM
O=C([O-])COc1ccc(C=C2C(=O)NC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)cc1	ZINC000009059122	132226598	/nfs/dbraw/zinc/22/65/98/132226598.db2.gz	ZUOUVUCTQPERDE-NVNXTCNLSA-N	-1	2	434.326	3.676	50	10		IHCALM
Cc1cc(N2C(=O)NC(=O)C(=Cc3ccc([O-])c([N+](=O)[O-])c3)C2=O)ccc1Br	ZINC000015745779	556547923	/nfs/dbraw/zinc/54/79/23/556547923.db2.gz	IQHPJAWLSRBWKT-KPKJPENVSA-N	-1	2	446.213	3.878	50	10		IHCALM
Cc1cc(C=C2C(=O)NC(=O)N(c3ccccc3C)C2=O)c(C)n1-c1cccc(C(=O)[O-])c1	ZINC000003363462	557526326	/nfs/dbraw/zinc/52/63/26/557526326.db2.gz	PCSUIKLJCSABCI-DEDYPNTBSA-N	-1	2	443.459	3.767	50	10		IHCALM
Cc1cc(C=C2C(=O)NC(=O)N(c3ccccc3C)C2=O)c(C)n1-c1ccccc1C(=O)[O-]	ZINC000009265355	132311941	/nfs/dbraw/zinc/31/19/41/132311941.db2.gz	PVHMKDYRXWZIPZ-UYRXBGFRSA-N	-1	2	443.459	3.767	50	10		IHCALM
Cc1cccc(N2C(=O)NC(=O)C(=Cc3cc(Br)c([O-])c([N+](=O)[O-])c3)C2=O)c1	ZINC000014011074	132355834	/nfs/dbraw/zinc/35/58/34/132355834.db2.gz	RJSLKGLXRZIAMM-WUXMJOGZSA-N	-1	2	446.213	3.878	50	10		IHCALM
O=C1NN(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc(-c2cc([N+](=O)[O-])ccc2[O-])o1	ZINC000015658588	556540838	/nfs/dbraw/zinc/54/08/38/556540838.db2.gz	JZZBJTLBEKDVTL-YBEGLDIGSA-N	-1	2	425.784	3.675	50	10		IHCALM
Cc1cc(C=C2C(=O)NC(=O)N(c3ccccc3C)C2=O)c(C)n1-c1ccccc1C(=O)[O-]	ZINC000009493457	569540776	/nfs/dbraw/zinc/54/07/76/569540776.db2.gz	PVHMKDYRXWZIPZ-CPNJWEJPSA-N	-1	2	443.459	3.767	50	10		IHCALM
O=C1NC(=O)N(c2cccc(Br)c2)C(=O)C1=Cc1ccc([O-])c([N+](=O)[O-])c1	ZINC000013898336	132355421	/nfs/dbraw/zinc/35/54/21/132355421.db2.gz	IENVHHSEMAHKJP-WUXMJOGZSA-N	-1	2	432.186	3.570	50	10		IHCALM
Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1	ZINC000013148152	132345783	/nfs/dbraw/zinc/34/57/83/132345783.db2.gz	UVYBUVXTOVILPS-BKUYFWCQSA-N	-1	2	443.459	3.767	50	10		IHCALM
Cc1c(Cl)cccc1N1C(=O)NC(=O)C(=Cc2cccn2-c2cccc(C(=O)[O-])c2)C1=O	ZINC000009845922	132329830	/nfs/dbraw/zinc/32/98/30/132329830.db2.gz	BUHCNVLBTNDZSS-SFQUDFHCSA-N	-1	2	449.850	3.804	50	10		IHCALM
CC(=O)c1c([O-])c(/N=N/c2ccc(S(=O)(=O)Nc3nccs3)cc2)c(C)oc1=O	ZINC000005345126	556046694	/nfs/dbraw/zinc/04/66/94/556046694.db2.gz	LOYVIUKLDMFZED-FMQUCBEESA-N	-1	2	434.455	3.529	50	10		IHCALM
CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1O[C@H](C)C(=O)[O-]	ZINC000014011055	535658850	/nfs/dbraw/zinc/65/88/50/535658850.db2.gz	AYBWOJCCHKEQGJ-RQNDZEIBSA-N	-1	2	438.436	3.752	50	10		IHCALM
Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3ccc(-c4ccc(C(=O)[O-])cc4)o3)C2=O)c1	ZINC000009311422	132313343	/nfs/dbraw/zinc/31/33/43/132313343.db2.gz	CGWWFQVAFXKFCT-UNOMPAQXSA-N	-1	2	430.416	3.928	50	10		IHCALM
O=C([O-])COc1ccccc1C=C1C(=O)NC(=O)N(c2cccc(C(F)(F)F)c2)C1=O	ZINC000013535788	132349348	/nfs/dbraw/zinc/34/93/48/132349348.db2.gz	PCJZHNIDXRTZDC-ZSOIEALJSA-N	-1	2	434.326	3.676	50	10		IHCALM
CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4ccccc4C(=O)[O-])o3)C2=O)cc1	ZINC000018272221	556688794	/nfs/dbraw/zinc/68/87/94/556688794.db2.gz	BJNJUMDPLDXLBZ-CPNJWEJPSA-N	-1	2	446.415	3.914	50	10		IHCALM
CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)ccc3OCC(=O)[O-])C2=O)cc1	ZINC000016226128	521037404	/nfs/dbraw/zinc/03/74/04/521037404.db2.gz	HGLXLSFFXIULPU-MHWRWJLKSA-N	-1	2	444.827	3.709	50	10		IHCALM
CCOc1cc(C=C2C(=O)NC(=O)N(c3ccccc3C)C2=O)ccc1O[C@H](C)C(=O)[O-]	ZINC000014011050	535658389	/nfs/dbraw/zinc/65/83/89/535658389.db2.gz	ALKQRNANASUZHA-VQCBNXJZSA-N	-1	2	438.436	3.752	50	10		IHCALM
Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3ccc(-c4ccc(C(=O)[O-])cc4)o3)C2=O)c1	ZINC000002119674	132248116	/nfs/dbraw/zinc/24/81/16/132248116.db2.gz	CGWWFQVAFXKFCT-XDHOZWIPSA-N	-1	2	430.416	3.928	50	10		IHCALM
O=C([O-])c1cccc(-c2ccc(/C=C3/C(=O)NN(c4ccc(F)c(Cl)c4)C3=O)o2)c1	ZINC000012428658	526387512	/nfs/dbraw/zinc/38/75/12/526387512.db2.gz	LBVSJAICDNLLEY-GDNBJRDFSA-N	-1	2	426.787	3.899	50	10		IHCALM