smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(OC)c(NC=C2C(=O)[N-]C(=O)N(C(C)(C)C)C2=O)c1	ZINC000009245111	441103086	/nfs/dbraw/zinc/10/30/86/441103086.db2.gz	BLWZLZMXJXPXCT-LUAWRHEFSA-N	-1	0	347.371	1.877	50	10		EDCARM
COC(=O)c1cc(NS(=O)(=O)c2ccc(OC)cc2)ccc1O	ZINC000001006538	440835886	/nfs/dbraw/zinc/83/58/86/440835886.db2.gz	TXQXPNNXZPYXQP-UHFFFAOYSA-N	-1	0	337.353	1.988	50	10		EDCARM
O=C([O-])COc1ccccc1/C=C1/SC(N2CCOCC2)=NC1=O	ZINC000000316434	440815030	/nfs/dbraw/zinc/81/50/30/440815030.db2.gz	LRLAYGAUUITJKN-UKTHLTGXSA-N	-1	0	348.380	1.453	50	10		EDCARM
O=C1[N-]C(=O)N(c2ccccc2F)C(=O)C1=CNN1CCCCCC1	ZINC000006926948	441024700	/nfs/dbraw/zinc/02/47/00/441024700.db2.gz	MOZTYRDVTSSDQD-VAWYXSNFSA-N	-1	0	346.362	1.877	50	10		EDCARM
Cc1[n-]n(-c2ccccc2)c(=O)c1C=C1C(=O)N(C)C(=O)N(C)C1=O	ZINC000100276470	278511260	/nfs/dbraw/zinc/51/12/60/278511260.db2.gz	CYVIROVNENHHSM-LBPRGKRZSA-N	-1	0	340.339	1.002	50	10		EDCARM
Cn1c2ccc(/C=C3\C(=O)[N-]N(c4ccccc4)C3=O)cc2n(C)c1=O	ZINC000000191634	440805345	/nfs/dbraw/zinc/80/53/45/440805345.db2.gz	ISHOHUZIJGPUFJ-GXDHUFHOSA-N	-1	0	348.362	1.338	50	10		EDCARM
Cc1cc(C=C2C(=O)[N-]C(=O)NC2=O)c(C)n1-c1cccc(F)c1	ZINC000002971256	440884638	/nfs/dbraw/zinc/88/46/38/440884638.db2.gz	GWNRNGIXINPPGE-UHFFFAOYSA-N	-1	0	327.315	1.983	50	10		EDCARM
O=C([O-])CCN1C(=O)/C(=C/c2ccc(O)cc2O)SC1=S	ZINC000005214767	440941495	/nfs/dbraw/zinc/94/14/95/440941495.db2.gz	ZVKXIPSGDRSVSV-YHYXMXQVSA-N	-1	0	325.367	1.774	50	10		EDCARM
CCOC(=O)C1C(C)=NC(=S)N[C@H]1c1cc([N+](=O)[O-])ccc1[O-]	ZINC000039369096	441617805	/nfs/dbraw/zinc/61/78/05/441617805.db2.gz	QHIYFXPWGFGKEG-LBPRGKRZSA-N	-1	0	337.357	1.656	50	10		EDCARM
O=C([O-])[C@@H]1CCN(C(=O)/C=C/c2ccc(N3CCOCC3)cc2)C1	ZINC000178266853	442420040	/nfs/dbraw/zinc/42/00/40/442420040.db2.gz	ILFBLSDZMPXDTG-YFCVBGDOSA-N	-1	0	330.384	1.470	50	10		EDCARM
Cc1cc(C)n2[n-]c(=O)c(N=Nc3ccc(S(N)(=O)=O)cc3)c2n1	ZINC000252603396	443044763	/nfs/dbraw/zinc/04/47/63/443044763.db2.gz	FQGUUMSLFAGITH-UHFFFAOYSA-N	-1	0	346.372	1.702	50	10		EDCARM
CCCCN1C(=O)[N-]C(=O)C(=CNc2ccc(NC(C)=O)cc2)C1=O	ZINC000100783418	206255095	/nfs/dbraw/zinc/25/50/95/206255095.db2.gz	OQUXPYCXJMSUOE-GXDHUFHOSA-N	-1	0	344.371	1.819	50	10		EDCARM
COc1ccc(OC)c(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)c1	ZINC000000966877	440836382	/nfs/dbraw/zinc/83/63/82/440836382.db2.gz	VHMUNLHTNCYFPB-IZZDOVSWSA-N	-1	0	339.394	1.990	50	10		EDCARM
COc1ccc(NC=C2C(=O)[N-]C(=O)N(C[C@H]3CCCO3)C2=O)cc1	ZINC000103844486	441186262	/nfs/dbraw/zinc/18/62/62/441186262.db2.gz	KRFQNBVPPAIKLX-OZYJXZHSSA-N	-1	0	345.355	1.248	50	10		EDCARM
O=C1[N-]C(=S)N(c2ccccc2)C(=O)/C1=C/c1ccc(O)c(O)c1	ZINC000000296835	275022356	/nfs/dbraw/zinc/02/23/56/275022356.db2.gz	JLIPNSYRZZWYLQ-XYOKQWHBSA-N	-1	0	340.360	1.929	50	10		EDCARM
O=C1[N-]C(=O)N(Cc2ccco2)C(=O)/C1=C\c1ccc2c(c1)OCO2	ZINC000005035054	440934883	/nfs/dbraw/zinc/93/48/83/440934883.db2.gz	JUNFNNULXMKDRD-SDQBBNPISA-N	-1	0	340.291	1.670	50	10		EDCARM
C[C@@H](NC(=O)c1ccoc1)C(=O)NCc1cc([N+](=O)[O-])ccc1[O-]	ZINC000048165187	441267309	/nfs/dbraw/zinc/26/73/09/441267309.db2.gz	OFQRFVMSFXOUMP-SECBINFHSA-N	-1	0	333.300	1.328	50	10		EDCARM
CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C(C)=O)cc1	ZINC000095939635	441954636	/nfs/dbraw/zinc/95/46/36/441954636.db2.gz	WPORAGKPSMIWGQ-UHFFFAOYSA-N	-1	0	348.380	1.755	50	10		EDCARM
CCOCCCNC=C1C(=O)[N-]C(=O)N(Cc2ccccc2)C1=O	ZINC000001899599	201521608	/nfs/dbraw/zinc/52/16/08/201521608.db2.gz	ICLZPGFGEAPWTB-SDNWHVSQSA-N	-1	0	331.372	1.165	50	10		EDCARM
O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc([N+](=O)[O-])o1	ZINC000005032505	440935841	/nfs/dbraw/zinc/93/58/41/440935841.db2.gz	PRYWRYCMZXFHEH-XFFZJAGNSA-N	-1	0	345.242	1.993	50	10		EDCARM
COc1ccc(-n2nnnc2COc2ccc(C(=O)[O-])cc2)cc1	ZINC000009576257	441106277	/nfs/dbraw/zinc/10/62/77/441106277.db2.gz	PXVPKOUJTFDRER-UHFFFAOYSA-N	-1	0	326.312	1.948	50	10		EDCARM
CN1C(=O)C(=CNc2ccc(Cl)c(C(=O)[O-])c2)C(=O)N(C)C1=O	ZINC000002827153	440879204	/nfs/dbraw/zinc/87/92/04/440879204.db2.gz	NMQYKZNTFARFNV-UHFFFAOYSA-N	-1	0	337.719	1.384	50	10		EDCARM
COc1ccc(OC)c(/C=C2\SC(=S)N(CC(=O)[O-])C2=O)c1	ZINC000013715007	441165437	/nfs/dbraw/zinc/16/54/37/441165437.db2.gz	VHMUNLHTNCYFPB-WDZFZDKYSA-N	-1	0	339.394	1.990	50	10		EDCARM
CC(C)N1C(=O)[N-]C(=O)C(=CNc2ccc3oc(=O)ccc3c2)C1=O	ZINC000009060783	441102786	/nfs/dbraw/zinc/10/27/86/441102786.db2.gz	JEFBTEIVOMKEJZ-WQLSENKSSA-N	-1	0	341.323	1.576	50	10		EDCARM
Cn1cc(C(=O)[O-])c(C(=O)NCc2ccc(N3CCCC3)cc2)n1	ZINC000020615039	212156190	/nfs/dbraw/zinc/15/61/90/212156190.db2.gz	CHKJEXICBCHAKN-UHFFFAOYSA-N	-1	0	328.372	1.649	50	10		EDCARM
C[C@H](C(=O)[O-])N1C(=O)/C(=C2\c3ccccc3N(C)C2=O)SC1=S	ZINC000000966986	298215544	/nfs/dbraw/zinc/21/55/44/298215544.db2.gz	FKALJXADTPROPL-MHESWEFBSA-N	-1	0	348.405	1.708	50	10		EDCARM
O=C1[N-]C(=O)N(C2CCCCC2)C(=O)C1=CNCCCn1ccnc1	ZINC000006188454	440984489	/nfs/dbraw/zinc/98/44/89/440984489.db2.gz	RNTLWPQILRERMV-SDNWHVSQSA-N	-1	0	345.403	1.158	50	10		EDCARM
Cc1[n-]n([C@H]2CCS(=O)(=O)C2)c(=O)c1C=Nc1ccccc1F	ZINC000013548575	441160164	/nfs/dbraw/zinc/16/01/64/441160164.db2.gz	DJIBRMIVHNHIHC-LCFDYFRESA-N	-1	0	337.376	1.527	50	10		EDCARM
CCc1ccc(N2C(=O)[N-]C(=O)C(=CNN3CCOCC3)C2=O)cc1	ZINC000013551208	441160193	/nfs/dbraw/zinc/16/01/93/441160193.db2.gz	STODISTXFSETFU-SDNWHVSQSA-N	-1	0	344.371	1.393	50	10		EDCARM
CN(C)c1ccc([C@@H]2CC(c3c([O-])[nH]c(=S)n(C)c3=O)=NN2)cc1	ZINC000101763376	219163284	/nfs/dbraw/zinc/16/32/84/219163284.db2.gz	STEXCXYLCSPPKW-NSHDSACASA-N	-1	0	345.428	1.653	50	10		EDCARM
Cc1cc(NC=C2C(=O)[N-]C(=O)N(CCc3ccccc3)C2=O)no1	ZINC000009305380	280539890	/nfs/dbraw/zinc/53/98/90/280539890.db2.gz	BPDOBSHNRZYZTI-RAXLEYEMSA-N	-1	0	340.339	1.600	50	10		EDCARM
CCCCN1CCc2cc(/C=C3\C(=O)[N-]C(=O)N(C)C3=O)ccc21	ZINC000002371576	440861898	/nfs/dbraw/zinc/86/18/98/440861898.db2.gz	IBZSXHCGUHRCFF-SDNWHVSQSA-N	-1	0	327.384	1.941	50	10		EDCARM
Cc1ccccc1N1C(=O)C(=CNC[C@H]2CCCO2)C(=O)[N-]C1=S	ZINC000005687298	440964603	/nfs/dbraw/zinc/96/46/03/440964603.db2.gz	UHMOUURKNMAILV-YGYTWAPGSA-N	-1	0	345.424	1.395	50	10		EDCARM
Cc1cccc(N2C(=O)C(=CNC[C@@H]3CCCO3)C(=O)[N-]C2=S)c1	ZINC000005687264	440965320	/nfs/dbraw/zinc/96/53/20/440965320.db2.gz	HJIQVVQRSWLPON-ODUNQGDFSA-N	-1	0	345.424	1.395	50	10		EDCARM
Cc1cccc(N2C(=O)[N-]C(=O)C(=CNN3CCCCC3)C2=O)c1	ZINC000017160869	441238100	/nfs/dbraw/zinc/23/81/00/441238100.db2.gz	HWWQUCRRKWJXOJ-KAMYIIQDSA-N	-1	0	328.372	1.657	50	10		EDCARM
O=C([O-])c1ccc(Cl)c(NC(=O)C[C@@H]2SC(=S)NC2=O)c1	ZINC000034926871	213001578	/nfs/dbraw/zinc/00/15/78/213001578.db2.gz	IRZZQHYHTJYOAB-QMMMGPOBSA-N	-1	0	344.801	1.883	50	10		EDCARM
COC(=O)c1ccc(C(=O)OC)c2c1N[C@@H](C(=O)[O-])[C@@H]1CC=C[C@H]21	ZINC000036352076	292008570	/nfs/dbraw/zinc/00/85/70/292008570.db2.gz	GOJPJRTVUUKVBZ-ATEUNZGCSA-N	-1	0	331.324	1.798	50	10		EDCARM
Cc1cccc(N2C(=O)C(=CNC[C@H]3CCCO3)C(=O)[N-]C2=S)c1	ZINC000005687265	440965738	/nfs/dbraw/zinc/96/57/38/440965738.db2.gz	HJIQVVQRSWLPON-JFBXQDQPSA-N	-1	0	345.424	1.395	50	10		EDCARM
Cc1ccc(N2C(=O)[N-]C(=O)C(=CNC[C@H]3CCCO3)C2=O)c(C)c1	ZINC000005737804	440967099	/nfs/dbraw/zinc/96/70/99/440967099.db2.gz	DQRMKFVZQCRHMI-JFBXQDQPSA-N	-1	0	343.383	1.539	50	10		EDCARM
CCCCOC(=O)c1ccc(NC=C2C(=O)[N-]C(=O)NC2=O)cc1	ZINC000006051154	440977995	/nfs/dbraw/zinc/97/79/95/440977995.db2.gz	XWUOJLBTUHCXEA-UHFFFAOYSA-N	-1	0	331.328	1.305	50	10		EDCARM
COc1ccc(N2CCN(C(=O)[C@H]3[C@@H](C(=O)[O-])C3(C)C)CC2)cc1	ZINC000071281354	441144048	/nfs/dbraw/zinc/14/40/48/441144048.db2.gz	GHHIMOANADRQHU-CABCVRRESA-N	-1	0	332.400	1.701	50	10		EDCARM
Cc1ccc(NC=C2C(=O)[N-]C(=O)N(C[C@H]3CCCO3)C2=O)cc1	ZINC000100401218	219098208	/nfs/dbraw/zinc/09/82/08/219098208.db2.gz	VZPOWFYXILELHY-CKXDQPNJSA-N	-1	0	329.356	1.548	50	10		EDCARM
Cn1cccc1/C=C1/C(=O)[N-]C(=O)N(Cc2ccc(F)cc2)C1=O	ZINC000000503441	440827605	/nfs/dbraw/zinc/82/76/05/440827605.db2.gz	SEDVDJJYSXHYLU-ZROIWOOFSA-N	-1	0	327.315	1.826	50	10		EDCARM
O=C1[N-]C(=O)C(=Cc2cccn2-c2ccc([N+](=O)[O-])cc2)C(=O)N1	ZINC000002981571	440886639	/nfs/dbraw/zinc/88/66/39/440886639.db2.gz	YAJOOPMUZNDVGB-UHFFFAOYSA-N	-1	0	326.268	1.975	50	10		EDCARM
O=C([O-])c1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)ccc1O	ZINC000003173341	440889754	/nfs/dbraw/zinc/88/97/54/440889754.db2.gz	LPRZQFXSZRFEFI-UHFFFAOYSA-N	-1	0	338.297	1.799	50	10		EDCARM
Cc1cc(/C=C2/NC(=O)N(CC(=O)[O-])C2=O)c(C)n1-c1cccnc1	ZINC000004935004	440932034	/nfs/dbraw/zinc/93/20/34/440932034.db2.gz	JCHZYEUHFXNMMT-VGOFMYFVSA-N	-1	0	340.339	1.466	50	10		EDCARM
CCCC[C@@H](CC)COCCCNC=C1C(=O)[N-]C(=O)N(C)C1=O	ZINC000006635840	441002436	/nfs/dbraw/zinc/00/24/36/441002436.db2.gz	VMUVSQZZGKOPIM-MBFWDRTGSA-N	-1	0	339.436	1.791	50	10		EDCARM
Cc1cccc(N2C(=O)C(=CNN3CCOCC3)C(=O)[N-]C2=S)c1	ZINC000016977594	441234453	/nfs/dbraw/zinc/23/44/53/441234453.db2.gz	XSBLBVFISOIEEE-JLHYYAGUSA-N	-1	0	346.412	1.304	50	10		EDCARM
COC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(OC)cc([N+](=O)[O-])c1[O-]	ZINC000019843120	212075349	/nfs/dbraw/zinc/07/53/49/212075349.db2.gz	RWENLDVWQRURMT-LLVKDONJSA-N	-1	0	337.288	1.110	50	10		EDCARM
CC(=O)Oc1ccccc1/C=C1\SC(=S)N(CC(=O)[O-])C1=O	ZINC000010386590	211169917	/nfs/dbraw/zinc/16/99/17/211169917.db2.gz	BQAQWJSHRSIFPX-WDZFZDKYSA-N	-1	0	337.378	1.898	50	10		EDCARM
CN1C(=O)/C(=C/c2ccc(C(=O)NCC(=O)[O-])cc2)SC1=S	ZINC000004942290	210333911	/nfs/dbraw/zinc/33/39/11/210333911.db2.gz	BJAZPEKTPJYSNC-POHAHGRESA-N	-1	0	336.394	1.332	50	10		EDCARM
CN(C)c1ccc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000033921902	441598629	/nfs/dbraw/zinc/59/86/29/441598629.db2.gz	NJFFQBWQFZCCND-HYXAFXHYSA-N	-1	0	347.287	1.528	50	10		EDCARM
O=C([O-])[C@@H]1CCCN1C(=O)/C=C/c1ccc(N2CCOCC2)cc1	ZINC000238077638	443194476	/nfs/dbraw/zinc/19/44/76/443194476.db2.gz	DNYGMUALMMAMFW-WHWKNOJMSA-N	-1	0	330.384	1.612	50	10		EDCARM
COc1ccc(N(CC(=O)[O-])CC(=O)NCc2cccnc2)cc1	ZINC000034926469	213001566	/nfs/dbraw/zinc/00/15/66/213001566.db2.gz	PAXIFEVTPOMYRR-UHFFFAOYSA-N	-1	0	329.356	1.298	50	10		EDCARM
COC(=O)c1ccc(C(=O)OC)c2c1N[C@H](C(=O)[O-])[C@H]1CC=C[C@H]21	ZINC000105833803	292008598	/nfs/dbraw/zinc/00/85/98/292008598.db2.gz	GOJPJRTVUUKVBZ-FZNYLWTLSA-N	-1	0	331.324	1.798	50	10		EDCARM
O=C1[N-]C(=O)C(=Cc2cccn2Cc2cnc(Cl)s2)C(=O)N1	ZINC000001399339	440843744	/nfs/dbraw/zinc/84/37/44/440843744.db2.gz	MEYJTSSJWFAIPU-UHFFFAOYSA-N	-1	0	336.760	1.396	50	10		EDCARM
COc1ccc(OC)c(N2C(=O)[N-]C(=O)C(=Cc3ccc[nH]3)C2=O)c1	ZINC000000306192	440813359	/nfs/dbraw/zinc/81/33/59/440813359.db2.gz	NRBZTTPECFHXEQ-XYOKQWHBSA-N	-1	0	341.323	1.903	50	10		EDCARM
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3C)C2=O)cc1	ZINC000000503686	440827320	/nfs/dbraw/zinc/82/73/20/440827320.db2.gz	SLRHAGOQJRIGGA-GXDHUFHOSA-N	-1	0	325.324	1.700	50	10		EDCARM
O=C([O-])CN1C(=O)/C(=C/c2ccc3c(c2)OCCO3)SC1=S	ZINC000003532606	440904798	/nfs/dbraw/zinc/90/47/98/440904798.db2.gz	CCTWEMKRVCWJJX-WDZFZDKYSA-N	-1	0	337.378	1.744	50	10		EDCARM
CCCCN1C(=O)[N-]C(=O)C(=CNc2ccc(NC(C)=O)cc2)C1=O	ZINC000006783086	441013953	/nfs/dbraw/zinc/01/39/53/441013953.db2.gz	OQUXPYCXJMSUOE-UVTDQMKNSA-N	-1	0	344.371	1.819	50	10		EDCARM
COc1ccc(N2CCN(c3nc(C)cc(C(=O)[O-])n3)CC2)cc1	ZINC000071195445	441142442	/nfs/dbraw/zinc/14/24/42/441142442.db2.gz	UUSPCTQTQTYONC-UHFFFAOYSA-N	-1	0	328.372	1.818	50	10		EDCARM
Cc1cc(C=C2C(=O)[N-]C(=O)NC2=O)c(C)n1-c1ccc(F)cc1	ZINC000013552082	441161311	/nfs/dbraw/zinc/16/13/11/441161311.db2.gz	NCWDBCZRFISZLH-UHFFFAOYSA-N	-1	0	327.315	1.983	50	10		EDCARM
Cc1ccc(N2C(=O)[N-]C(=O)C(=CNN3CCCCC3)C2=O)cc1	ZINC000017160075	441238064	/nfs/dbraw/zinc/23/80/64/441238064.db2.gz	XIRVGFOLUYDPMF-KAMYIIQDSA-N	-1	0	328.372	1.657	50	10		EDCARM
CCCCCCN1C(=O)[N-]C(=O)C(=CNCCCn2ccnc2)C1=O	ZINC000096101658	442029205	/nfs/dbraw/zinc/02/92/05/442029205.db2.gz	IRQOYHBHDTVKMN-OWBHPGMISA-N	-1	0	347.419	1.405	50	10		EDCARM
Cc1cc(C)c(N2C(=O)[N-]C(=O)C(=CNCCCO)C2=O)c(C)c1	ZINC000102895162	301183069	/nfs/dbraw/zinc/18/30/69/301183069.db2.gz	UCCWZKZFUSSHRH-UKTHLTGXSA-N	-1	0	331.372	1.051	50	10		EDCARM
Cc1ccc(N2C(=O)[N-]C(=O)C(=CNC[C@H]3CCCO3)C2=O)cc1C	ZINC000005739987	440966877	/nfs/dbraw/zinc/96/68/77/440966877.db2.gz	INCPQAIZLAVDNT-MFYHJKBNSA-N	-1	0	343.383	1.539	50	10		EDCARM
O=C([O-])CCN1C(=O)/C(=C\c2ccc([N+](=O)[O-])o2)SC1=S	ZINC000026840957	441386771	/nfs/dbraw/zinc/38/67/71/441386771.db2.gz	HTHQDHPDPQMZLP-FNORWQNLSA-N	-1	0	328.327	1.864	50	10		EDCARM
COC(=O)c1ccc(/C=C2\SC(=S)N(CC(=O)[O-])C2=O)cc1	ZINC000013343684	211548478	/nfs/dbraw/zinc/54/84/78/211548478.db2.gz	ULZBFHOWBIGMEH-POHAHGRESA-N	-1	0	337.378	1.759	50	10		EDCARM
Cc1[n-]n(-c2ccccc2)c(=O)c1C=C1C(=O)N(C)C(=O)N(C)C1=O	ZINC000100276468	278511209	/nfs/dbraw/zinc/51/12/09/278511209.db2.gz	CYVIROVNENHHSM-GFCCVEGCSA-N	-1	0	340.339	1.002	50	10		EDCARM
O=C1[N-]C(=S)N(c2ccccc2)C(=O)C1=CNCc1ccccn1	ZINC000005626443	440961411	/nfs/dbraw/zinc/96/14/11/440961411.db2.gz	PNVSPGMAEAKWJL-SDNWHVSQSA-N	-1	0	338.392	1.503	50	10		EDCARM
CCN(CC)c1ccc(C=C2C(=O)N(c3nnn[n-]3)N=C2C)cc1	ZINC000019873804	212078629	/nfs/dbraw/zinc/07/86/29/212078629.db2.gz	YIPHBIMDCRKNQH-UVTDQMKNSA-N	-1	0	325.376	1.852	50	10		EDCARM
Cn1c2nc(N=NNc3ccc(Cl)cc3)[n-]c2c(=O)n(C)c1=O	ZINC000017174180	441239023	/nfs/dbraw/zinc/23/90/23/441239023.db2.gz	BSXHYJWNSCNRMN-UHFFFAOYSA-N	-1	0	333.739	1.725	50	10		EDCARM
COc1ccc(/C=C2/C(=O)[N-]C(=O)N(C(C)(C)C)C2=O)c(OC)c1	ZINC000012381448	211361381	/nfs/dbraw/zinc/36/13/81/211361381.db2.gz	CJKYNSZRILSZMR-WQLSENKSSA-N	-1	0	332.356	1.964	50	10		EDCARM
COC(=O)c1ccc(C(=O)OC)c2c1N[C@H](C(=O)[O-])[C@H]1CC=C[C@@H]21	ZINC000216194770	292008555	/nfs/dbraw/zinc/00/85/55/292008555.db2.gz	GOJPJRTVUUKVBZ-ITMYJUKJSA-N	-1	0	331.324	1.798	50	10		EDCARM
Cc1ccccc1N1C(=O)C(=CNC[C@@H]2CCCO2)C(=O)[N-]C1=S	ZINC000005687297	440965519	/nfs/dbraw/zinc/96/55/19/440965519.db2.gz	UHMOUURKNMAILV-IXJPEXDMSA-N	-1	0	345.424	1.395	50	10		EDCARM
Cc1ccc(N2C(=O)[N-]C(=O)C(=CNC[C@@H]3CCCO3)C2=O)cc1C	ZINC000005969193	440976174	/nfs/dbraw/zinc/97/61/74/440976174.db2.gz	INCPQAIZLAVDNT-GWQWUEFDSA-N	-1	0	343.383	1.539	50	10		EDCARM
Cc1ccccc1N1C(=O)C(=CNC[C@@H]2CCCO2)C(=O)[N-]C1=S	ZINC000103844061	441186677	/nfs/dbraw/zinc/18/66/77/441186677.db2.gz	UHMOUURKNMAILV-CVCOIXHCSA-N	-1	0	345.424	1.395	50	10		EDCARM
NC(=O)COc1ccc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)cc1	ZINC000015009168	441193250	/nfs/dbraw/zinc/19/32/50/441193250.db2.gz	JXJOZZMFSOASLO-XNTDXEJSSA-N	-1	0	337.335	1.012	50	10		EDCARM
O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C/c1ccc([N+](=O)[O-])o1	ZINC000009136690	304656887	/nfs/dbraw/zinc/65/68/87/304656887.db2.gz	ATVFSAAATHUBBJ-DHZHZOJOSA-N	-1	0	327.252	1.854	50	10		EDCARM
O=C1[N-]C(=O)N(Cc2ccccc2)C(=O)C1=CNCc1ccco1	ZINC000002769030	440875415	/nfs/dbraw/zinc/87/54/15/440875415.db2.gz	RRVOPAHSJBXQOG-UVTDQMKNSA-N	-1	0	325.324	1.532	50	10		EDCARM
CCOc1ccc(Br)cc1C=C1C(=O)[N-]C(=O)NC1=O	ZINC000003157621	440890187	/nfs/dbraw/zinc/89/01/87/440890187.db2.gz	ROZYDTCJKYUKSI-UHFFFAOYSA-N	-1	0	339.145	1.597	50	10		EDCARM
COc1ccc(N2C(=O)[N-]C(=O)C(=CNc3cc(C)on3)C2=O)cc1	ZINC000009183804	441103133	/nfs/dbraw/zinc/10/31/33/441103133.db2.gz	JLXNSXDMVDEETD-WQLSENKSSA-N	-1	0	342.311	1.570	50	10		EDCARM
Cc1[n-]n([C@@H]2CCS(=O)(=O)C2)c(=O)c1C=Nc1ccccc1F	ZINC000013548573	441159998	/nfs/dbraw/zinc/15/99/98/441159998.db2.gz	DJIBRMIVHNHIHC-HQQGHWSLSA-N	-1	0	337.376	1.527	50	10		EDCARM
CN(C)/N=N/c1ccc(S(=O)(=O)N2CCS[C@H]2C(=O)[O-])cc1	ZINC000004671886	210243282	/nfs/dbraw/zinc/24/32/82/210243282.db2.gz	BOKFUMHVBUFNFF-JKJHPVACSA-N	-1	0	344.418	1.395	50	10		EDCARM
CCC(=O)N1CCC[C@@H](C(=O)NCc2cc([N+](=O)[O-])ccc2[O-])C1	ZINC000058159239	441154592	/nfs/dbraw/zinc/15/45/92/441154592.db2.gz	MTUSXPCWJUXGFC-LLVKDONJSA-N	-1	0	335.360	1.565	50	10		EDCARM
NC(=O)COc1ccc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1	ZINC000000555815	440830621	/nfs/dbraw/zinc/83/06/21/440830621.db2.gz	JXJOZZMFSOASLO-GDNBJRDFSA-N	-1	0	337.335	1.012	50	10		EDCARM
O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)C1=CNN1CCCCC1	ZINC000009041480	441102607	/nfs/dbraw/zinc/10/26/07/441102607.db2.gz	YPCOAOMBILRSEA-RAXLEYEMSA-N	-1	0	332.335	1.487	50	10		EDCARM
O=C1/C(=C/c2ccc(F)cc2)SC(=S)N1CCS(=O)(=O)[O-]	ZINC000004291562	210161948	/nfs/dbraw/zinc/16/19/48/210161948.db2.gz	SQDXDXYMKRCTCF-YFHOEESVSA-N	-1	0	347.414	1.915	50	10		EDCARM
COC(=O)c1sc2cc(=O)n(-c3ccc(OC)cc3)nc2c1[O-]	ZINC000003052917	209957882	/nfs/dbraw/zinc/95/78/82/209957882.db2.gz	UEDFVFZENCBEAV-UHFFFAOYSA-N	-1	0	332.337	1.948	50	10		EDCARM
O=C(Oc1ccc(C=C2C(=O)[N-]C(=O)NC2=O)cc1)c1cccs1	ZINC000004907083	210318890	/nfs/dbraw/zinc/31/88/90/210318890.db2.gz	CMKJMDPZPGZTDA-UHFFFAOYSA-N	-1	0	342.332	1.717	50	10		EDCARM
O=S(=O)([N-]c1ccc2c(c1)OCCO2)c1cccc2nonc21	ZINC000000152765	440803768	/nfs/dbraw/zinc/80/37/68/440803768.db2.gz	JABIPJNMVRDWKF-UHFFFAOYSA-N	-1	0	333.325	1.795	50	10		EDCARM
O=C1[N-]C(=O)C(=CNc2ccc3nc4ccccc4nc3c2)C(=O)N1	ZINC000015412101	441202536	/nfs/dbraw/zinc/20/25/36/441202536.db2.gz	CUZPPWIIYVOTTE-UHFFFAOYSA-N	-1	0	333.307	1.445	50	10		EDCARM
COc1cc(C(=O)[O-])ccc1NC(=O)C[C@@H]1SC(=S)NC1=O	ZINC000034926915	213001535	/nfs/dbraw/zinc/00/15/35/213001535.db2.gz	UCQJIFLVZZFRDN-VIFPVBQESA-N	-1	0	340.382	1.239	50	10		EDCARM
CN1C(=O)[N-]C(=O)/C(=C/c2cccn2-c2cccc([N+](=O)[O-])c2)C1=O	ZINC000005061819	210380449	/nfs/dbraw/zinc/38/04/49/210380449.db2.gz	AOLLMUCGNRVSFP-LCYFTJDESA-N	-1	0	340.295	1.477	50	10		EDCARM
CCCCCCN1C(=O)[N-]C(=O)/C(=C\NN2CCCCCC2)C1=O	ZINC000005573689	440959690	/nfs/dbraw/zinc/95/96/90/440959690.db2.gz	QTCGPTRUTSQVPS-BUHFOSPRSA-N	-1	0	336.436	1.910	50	10		EDCARM
COc1cc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)cc(OC)c1O	ZINC000006180722	440984409	/nfs/dbraw/zinc/98/44/09/440984409.db2.gz	LWYOGMGPRDGGMT-MDWZMJQESA-N	-1	0	340.335	1.871	50	10		EDCARM
O=C1[N-]C(=O)N(Cc2ccccc2)C(=O)C1=CNN1CCCCC1	ZINC000016946167	441233319	/nfs/dbraw/zinc/23/33/19/441233319.db2.gz	ZFAWUIAJTOAOBL-KAMYIIQDSA-N	-1	0	328.372	1.344	50	10		EDCARM
CCOc1ccc(C=C2C(=O)N(c3nnn[n-]3)N=C2C)cc1OC	ZINC000033338454	441595538	/nfs/dbraw/zinc/59/55/38/441595538.db2.gz	PDBKWJJTDAHEQZ-XFFZJAGNSA-N	-1	0	328.332	1.413	50	10		EDCARM
COc1cc(C=C2C(=O)NC(=S)N(C)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000038167728	213203843	/nfs/dbraw/zinc/20/38/43/213203843.db2.gz	RHZIJIFPMZUQJN-CLTKARDFSA-N	-1	0	337.313	1.406	50	10		EDCARM
O=C([O-])c1ccc(Cl)c(NC(=O)C[C@H]2SC(=S)NC2=O)c1	ZINC000034926870	213001112	/nfs/dbraw/zinc/00/11/12/213001112.db2.gz	IRZZQHYHTJYOAB-MRVPVSSYSA-N	-1	0	344.801	1.883	50	10		EDCARM
COc1cc(C=C2SC(=S)NC2=O)ccc1OCC(=O)[O-]	ZINC000001194784	440840247	/nfs/dbraw/zinc/84/02/47/440840247.db2.gz	DVBJNSKWHSGTDK-YHYXMXQVSA-N	-1	0	325.367	1.647	50	10		EDCARM
COc1cccc(/C=C2\SC(=S)N(CC(=O)[O-])C2=O)c1OC	ZINC000013343652	441157707	/nfs/dbraw/zinc/15/77/07/441157707.db2.gz	INTKVUIEDMELRL-POHAHGRESA-N	-1	0	339.394	1.990	50	10		EDCARM
COc1ccc(-c2csc(NC=C3C(=O)[N-]C(=O)NC3=O)n2)cc1	ZINC000009109264	211040873	/nfs/dbraw/zinc/04/08/73/211040873.db2.gz	YVCDUFSJNIYSTB-UHFFFAOYSA-N	-1	0	344.352	1.481	50	10		EDCARM
COc1cc(/C=C2\SC(=S)N(CC(=O)[O-])C2=O)cc(OC)c1	ZINC000013343811	211548051	/nfs/dbraw/zinc/54/80/51/211548051.db2.gz	HGOHSFZPPZSCSV-WZUFQYTHSA-N	-1	0	339.394	1.990	50	10		EDCARM
Cn1c(C=C2C(=O)[N-]C(=O)NC2=O)ccc1-c1ccc([N+](=O)[O-])cc1	ZINC000005234464	282570832	/nfs/dbraw/zinc/57/08/32/282570832.db2.gz	MPXXAGNCCWDXIB-UHFFFAOYSA-N	-1	0	340.295	1.350	50	10		EDCARM
O=C1[N-]C(=O)N(Cc2ccccc2)C(=O)C1=CNCc1ccccc1	ZINC000019334964	212017528	/nfs/dbraw/zinc/01/75/28/212017528.db2.gz	CBBNVSJGXIIXNR-VBKFSLOCSA-N	-1	0	335.363	1.939	50	10		EDCARM
O=C1[N-]C(=O)N(Cc2ccccc2)C(=O)/C1=C\c1ccc(O)cc1O	ZINC000013510606	441159253	/nfs/dbraw/zinc/15/92/53/441159253.db2.gz	JBLCVRXADNMMFR-ZSOIEALJSA-N	-1	0	338.319	1.760	50	10		EDCARM
COc1ccc(/C=C2\SC(=S)N(CC(=O)[O-])C2=O)c(OC)c1	ZINC000013343654	201891721	/nfs/dbraw/zinc/89/17/21/201891721.db2.gz	PASSBNGUBKVNBZ-WZUFQYTHSA-N	-1	0	339.394	1.990	50	10		EDCARM
C[C@@H](C(=O)[O-])N1C(=O)/C(=C2/c3ccccc3N(C)C2=O)SC1=S	ZINC000001800891	295802098	/nfs/dbraw/zinc/80/20/98/295802098.db2.gz	FKALJXADTPROPL-QYQSLSSCSA-N	-1	0	348.405	1.708	50	10		EDCARM
Cc1cccc(N2C(=O)[N-]C(=O)C(=CNN3CCOCC3)C2=O)c1	ZINC000020023325	212094564	/nfs/dbraw/zinc/09/45/64/212094564.db2.gz	WQIDRESWCBWJAW-RAXLEYEMSA-N	-1	0	330.344	1.139	50	10		EDCARM
O=C1/C(=C/c2ccccc2)SC(=S)N1CCS(=O)(=O)[O-]	ZINC000004291519	440914321	/nfs/dbraw/zinc/91/43/21/440914321.db2.gz	KTGBRADVNKOKNM-NTMALXAHSA-N	-1	0	329.424	1.776	50	10		EDCARM
CCOc1ccc(N2C(=O)[N-]C(=O)C(=CN[C@H](C)CC)C2=O)cc1	ZINC000019595311	441258972	/nfs/dbraw/zinc/25/89/72/441258972.db2.gz	QJCKRIIEHFPPAD-UXEDPAHQSA-N	-1	0	331.372	1.940	50	10		EDCARM
CCOc1cc(OCC)c(OCC)cc1C=C1C(=O)[N-]C(=O)NC1=O	ZINC000003157666	201557863	/nfs/dbraw/zinc/55/78/63/201557863.db2.gz	DKHUDWBOGSFWET-UHFFFAOYSA-N	-1	0	348.355	1.632	50	10		EDCARM
O=C(CC(F)(F)F)N1CCN(Cc2cc([N+](=O)[O-])ccc2[O-])CC1	ZINC000069595477	203025183	/nfs/dbraw/zinc/02/51/83/203025183.db2.gz	VSVRZKOPOKJGJI-UHFFFAOYSA-N	-1	0	347.293	1.897	50	10		EDCARM
O=C([O-])[C@@H]1Nc2c(C(=O)N3CCOCC3)cccc2[C@H]2C=CC[C@H]21	ZINC000005046794	304154827	/nfs/dbraw/zinc/15/48/27/304154827.db2.gz	BAFWMUGYCDOMKF-AXAPSJFSSA-N	-1	0	328.368	1.697	50	10		EDCARM
O=C1[N-]C(=O)C(=Cc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)C(=O)N1	ZINC000003880433	296354833	/nfs/dbraw/zinc/35/48/33/296354833.db2.gz	RBOBRXMRTBQGHS-UHFFFAOYSA-N	-1	0	346.299	1.021	50	10		EDCARM
COCCN(CC(=O)[O-])C(=O)/C=C/c1ccc(N2CCOCC2)cc1	ZINC000328596300	258042484	/nfs/dbraw/zinc/04/24/84/258042484.db2.gz	DPRQTABLAUFTSB-QPJJXVBHSA-N	-1	0	348.399	1.096	50	10		EDCARM
Cc1ccc(NC=C2C(=O)[N-]C(=O)N(C[C@@H]3CCCO3)C2=O)cc1	ZINC000017989080	441245889	/nfs/dbraw/zinc/24/58/89/441245889.db2.gz	VZPOWFYXILELHY-FYQHACEVSA-N	-1	0	329.356	1.548	50	10		EDCARM
Cc1cccc2c1NC(=O)/C2=C1\SC(=S)N(CCC(=O)[O-])C1=O	ZINC000004698208	302059063	/nfs/dbraw/zinc/05/90/63/302059063.db2.gz	FKRYUVDLKGRGDP-BENRWUELSA-N	-1	0	348.405	1.993	50	10		EDCARM
COCCN1C(=O)/C(=C\c2ccc(C(=O)[O-])cc2)C(C(=O)OC)=C1C	ZINC000001833555	440853073	/nfs/dbraw/zinc/85/30/73/440853073.db2.gz	KGZIYQNYFIMAJP-UVTDQMKNSA-N	-1	0	345.351	1.704	50	10		EDCARM
CN1C(=O)C(=Cc2cn(CC(=O)[O-])c3ccccc23)C(=O)N(C)C1=O	ZINC000004123712	440912181	/nfs/dbraw/zinc/91/21/81/440912181.db2.gz	NNGDOAYADHASMC-UHFFFAOYSA-N	-1	0	341.323	1.160	50	10		EDCARM
CN(C)c1ccc(/C=C2/C(=O)[N-]C(=O)N(c3cccnc3)C2=O)cc1	ZINC000004703719	440925098	/nfs/dbraw/zinc/92/50/98/440925098.db2.gz	NDPOUJXOYLUTHR-GDNBJRDFSA-N	-1	0	336.351	1.814	50	10		EDCARM
CCc1ccc(N2C(=O)[N-]C(=O)C(=CNN3CCOCC3)C2=O)cc1	ZINC000020025031	212095014	/nfs/dbraw/zinc/09/50/14/212095014.db2.gz	STODISTXFSETFU-KAMYIIQDSA-N	-1	0	344.371	1.393	50	10		EDCARM
CCCC[C@H](CC)COCCCNC=C1C(=O)[N-]C(=O)N(C)C1=O	ZINC000095346044	218282536	/nfs/dbraw/zinc/28/25/36/218282536.db2.gz	VMUVSQZZGKOPIM-UROBUVALSA-N	-1	0	339.436	1.791	50	10		EDCARM
COc1cccc(N2C(=O)[N-]C(=O)C(=CNN3CCCCC3)C2=O)c1	ZINC000019949976	295304455	/nfs/dbraw/zinc/30/44/55/295304455.db2.gz	ZEHLFPXSQGFHII-KAMYIIQDSA-N	-1	0	344.371	1.152	50	10		EDCARM
Cc1cccc(NC=C2C(=O)[N-]C(=O)N(C[C@@H]3CCCO3)C2=O)c1	ZINC000003880766	440906260	/nfs/dbraw/zinc/90/62/60/440906260.db2.gz	CZVNEPWJWPUOTD-GFAPJHNFSA-N	-1	0	329.356	1.548	50	10		EDCARM
O=C1[N-]C(=O)N(Cc2ccccc2)C(=O)C1=CNCc1ccco1	ZINC000100437816	441152281	/nfs/dbraw/zinc/15/22/81/441152281.db2.gz	RRVOPAHSJBXQOG-GXDHUFHOSA-N	-1	0	325.324	1.532	50	10		EDCARM
O=C1[N-]C(=O)N(C[C@@H]2CCCO2)C(=O)C1=CNc1ccccc1Cl	ZINC000017989077	441245768	/nfs/dbraw/zinc/24/57/68/441245768.db2.gz	WHMKZDCNZZHVDS-NGPGYTDTSA-N	-1	0	349.774	1.893	50	10		EDCARM
COC(=O)c1ccc(-c2ccc(C=C3C(=O)[N-]C(=O)NC3=O)o2)cc1	ZINC000009334873	201775263	/nfs/dbraw/zinc/77/52/63/201775263.db2.gz	BZSPDTUIQFJGJO-UHFFFAOYSA-N	-1	0	340.291	1.483	50	10		EDCARM
Cc1cc([O-])c(C(=O)CC2(O)C(=O)c3ccccc3C2=O)c(=O)o1	ZINC000071785177	203112924	/nfs/dbraw/zinc/11/29/24/203112924.db2.gz	QFTCOFOZXUWTLT-UHFFFAOYSA-N	-1	0	328.276	1.037	50	10		EDCARM
Cc1cccc(N2C(=O)[N-]C(=O)C(=CNC[C@@H]3CCCO3)C2=O)c1C	ZINC000005752398	440967158	/nfs/dbraw/zinc/96/71/58/440967158.db2.gz	AGFJDUYYJSFBNR-ODUNQGDFSA-N	-1	0	343.383	1.539	50	10		EDCARM
O=C([O-])CN1C(=O)/C(=C/c2cnc3ccccc3n2)SC1=S	ZINC000011689748	441123586	/nfs/dbraw/zinc/12/35/86/441123586.db2.gz	BEGKFKDSQOKFBA-WZUFQYTHSA-N	-1	0	331.378	1.916	50	10		EDCARM
O=C1[N-]C(=O)N(C[C@@H]2CCCO2)C(=O)C1=CNc1ccccc1Cl	ZINC000100401561	206236536	/nfs/dbraw/zinc/23/65/36/206236536.db2.gz	WHMKZDCNZZHVDS-DFYQSJSGSA-N	-1	0	349.774	1.893	50	10		EDCARM
O=C(Oc1ccccc1C=C1C(=O)[N-]C(=O)NC1=O)c1ccccc1	ZINC000003666343	440906460	/nfs/dbraw/zinc/90/64/60/440906460.db2.gz	QMXRFWUBRJQCMJ-UHFFFAOYSA-N	-1	0	336.303	1.655	50	10		EDCARM
Cc1ccc(NC=C2C(=O)[N-]C(=O)N(C[C@H]3CCCO3)C2=O)cc1	ZINC000017989083	441247076	/nfs/dbraw/zinc/24/70/76/441247076.db2.gz	VZPOWFYXILELHY-OZYJXZHSSA-N	-1	0	329.356	1.548	50	10		EDCARM
CN(CCCC(=O)[O-])C(=O)/C=C/c1ccc(N2CCOCC2)cc1	ZINC000237283871	443166716	/nfs/dbraw/zinc/16/67/16/443166716.db2.gz	ZVDIOYDJJHGDCJ-RMKNXTFCSA-N	-1	0	332.400	1.860	50	10		EDCARM
COC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(OC)cc([N+](=O)[O-])c1[O-]	ZINC000019843122	212075706	/nfs/dbraw/zinc/07/57/06/212075706.db2.gz	RWENLDVWQRURMT-NSHDSACASA-N	-1	0	337.288	1.110	50	10		EDCARM
CN1c2ccccc2/C(=C2/SC(=S)N(CCC(=O)[O-])C2=O)C1=O	ZINC000013370669	290319283	/nfs/dbraw/zinc/31/92/83/290319283.db2.gz	TYQDZFOBJOYSFA-QXMHVHEDSA-N	-1	0	348.405	1.709	50	10		EDCARM
Cc1ccccc1N1C(=O)[N-]C(=O)C(=CNN2CCCCC2)C1=O	ZINC000017145696	302103337	/nfs/dbraw/zinc/10/33/37/302103337.db2.gz	MIPUSYWMDXBNBY-QBFSEMIESA-N	-1	0	328.372	1.657	50	10		EDCARM
COc1cc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)cc(OC)c1	ZINC000001203009	440840221	/nfs/dbraw/zinc/84/02/21/440840221.db2.gz	HGOHSFZPPZSCSV-VZUCSPMQSA-N	-1	0	339.394	1.990	50	10		EDCARM
O=C([O-])CCN1C(=O)/C(=C\c2ccc(O)c(O)c2)SC1=S	ZINC000001800291	440853399	/nfs/dbraw/zinc/85/33/99/440853399.db2.gz	VKFKRUBGSQHJSA-UXBLZVDNSA-N	-1	0	325.367	1.774	50	10		EDCARM
CCCC(=O)N1CCC[C@H](C(=O)NCc2cc([N+](=O)[O-])ccc2[O-])C1	ZINC000054799206	441599482	/nfs/dbraw/zinc/59/94/82/441599482.db2.gz	LCUVBWUEGNOCCU-LBPRGKRZSA-N	-1	0	349.387	1.955	50	10		EDCARM
Cc1ccc(NC=C2C(=O)[N-]C(=O)N(C[C@@H]3CCCO3)C2=O)cc1	ZINC000100401213	219098302	/nfs/dbraw/zinc/09/83/02/219098302.db2.gz	VZPOWFYXILELHY-GFAPJHNFSA-N	-1	0	329.356	1.548	50	10		EDCARM
O=C1OCc2ccc([N-]S(=O)(=O)c3cccc4nonc43)cc21	ZINC000000147982	440801664	/nfs/dbraw/zinc/80/16/64/440801664.db2.gz	WTGLAWSREQIXOR-UHFFFAOYSA-N	-1	0	331.309	1.694	50	10		EDCARM
COc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3C)C2=O)c1	ZINC000006239600	440984802	/nfs/dbraw/zinc/98/48/02/440984802.db2.gz	RQQLQBMTNROFRQ-GXDHUFHOSA-N	-1	0	325.324	1.700	50	10		EDCARM
O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C\c1ccc([N+](=O)[O-])o1	ZINC000013656039	441163716	/nfs/dbraw/zinc/16/37/16/441163716.db2.gz	ATVFSAAATHUBBJ-FLIBITNWSA-N	-1	0	327.252	1.854	50	10		EDCARM
CNC(=O)c1ccc([N-]S(=O)(=O)c2cccc3nsnc32)cc1	ZINC000019080011	441254001	/nfs/dbraw/zinc/25/40/01/441254001.db2.gz	NUOWETQEAMZEFJ-UHFFFAOYSA-N	-1	0	348.409	1.852	50	10		EDCARM
O=C([O-])CCN1C(=O)/C(=C/c2ccc(O)c(O)c2)SC1=S	ZINC000001800292	209795459	/nfs/dbraw/zinc/79/54/59/209795459.db2.gz	VKFKRUBGSQHJSA-POHAHGRESA-N	-1	0	325.367	1.774	50	10		EDCARM
COc1ccc(N2CCOCC2)cc1NC(=O)[C@H]1[C@H](C(=O)[O-])C1(C)C	ZINC000071286727	215753867	/nfs/dbraw/zinc/75/38/67/215753867.db2.gz	MHPSFYISRVPFCX-HUUCEWRRSA-N	-1	0	348.399	1.827	50	10		EDCARM
C[C@@H](C(=O)[O-])N1C(=O)/C(=C2\c3ccccc3N(C)C2=O)SC1=S	ZINC000000966984	440835540	/nfs/dbraw/zinc/83/55/40/440835540.db2.gz	FKALJXADTPROPL-UKMFXHQASA-N	-1	0	348.405	1.708	50	10		EDCARM
CCOC(=O)c1cc(CC)sc1NC=C1C(=O)[N-]C(=O)NC1=O	ZINC000006273818	440986056	/nfs/dbraw/zinc/98/60/56/440986056.db2.gz	BQRRCQWDIFFGHU-UHFFFAOYSA-N	-1	0	337.357	1.149	50	10		EDCARM
CS(C)=C1C(=O)[N-]C(=O)N(c2cccc(C(F)(F)F)c2)C1=O	ZINC000013775373	441167411	/nfs/dbraw/zinc/16/74/11/441167411.db2.gz	ARTHOPFAOFNEQR-UHFFFAOYSA-N	-1	0	332.303	1.989	50	10		EDCARM
COc1ccc(N2CCN(C(=O)c3nn(C)cc3C(=O)[O-])CC2)cc1	ZINC000020614435	441264223	/nfs/dbraw/zinc/26/42/23/441264223.db2.gz	DBWZUXTZBZHLFV-UHFFFAOYSA-N	-1	0	344.371	1.089	50	10		EDCARM
COc1ccc(OC)c(N2C(=O)[N-]C(=O)C(=Cc3ccc[nH]3)C2=O)c1	ZINC000100330619	219097079	/nfs/dbraw/zinc/09/70/79/219097079.db2.gz	NRBZTTPECFHXEQ-WQLSENKSSA-N	-1	0	341.323	1.698	50	10		EDCARM
O=C1/C(=C/c2cccnc2)SC(=S)N1CCS(=O)(=O)[O-]	ZINC000004193739	210144116	/nfs/dbraw/zinc/14/41/16/210144116.db2.gz	OYCMUJQWJQDGFT-TWGQIWQCSA-N	-1	0	330.412	1.171	50	10		EDCARM
CC(C)(C)c1ccc(C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)[O-])cc1	ZINC000008981603	278559958	/nfs/dbraw/zinc/55/99/58/278559958.db2.gz	NUHXLIGAMZXDEO-ZDUSSCGKSA-N	-1	0	341.429	1.602	50	10		EDCARM
NC(=O)c1ccccc1[N-]S(=O)(=O)c1cccc2nsnc21	ZINC000014256870	441181878	/nfs/dbraw/zinc/18/18/78/441181878.db2.gz	PKUDPXLINCYGOC-UHFFFAOYSA-N	-1	0	334.382	1.591	50	10		EDCARM
COc1ccc2occ(C=CC=C3C(=O)[N-]C(=O)NC3=O)c(=O)c2c1	ZINC000018033104	441247115	/nfs/dbraw/zinc/24/71/15/441247115.db2.gz	ATAYEOXWPXMTLC-NSCUHMNNSA-N	-1	0	340.291	1.948	50	10		EDCARM
O=C([O-])[C@@H]1Nc2c(C(=O)N3CCOCC3)cccc2[C@@H]2C=CC[C@H]21	ZINC000013154577	304154858	/nfs/dbraw/zinc/15/48/58/304154858.db2.gz	BAFWMUGYCDOMKF-NORZTCDRSA-N	-1	0	328.368	1.697	50	10		EDCARM
COc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(OC)c1O	ZINC000012338883	211353328	/nfs/dbraw/zinc/35/33/28/211353328.db2.gz	LWYOGMGPRDGGMT-JYRVWZFOSA-N	-1	0	340.335	1.871	50	10		EDCARM
COc1cc(/C=C2\C(=O)[N-]C(=O)N(C(C)(C)C)C2=O)cc(OC)c1O	ZINC000000440859	286190410	/nfs/dbraw/zinc/19/04/10/286190410.db2.gz	SYVVUDNDLGUNAT-UXBLZVDNSA-N	-1	0	348.355	1.670	50	10		EDCARM
Cc1ccc2c(c1)/C(=C1\SC(=S)N(CC(=O)[O-])C1=O)C(=O)N2	ZINC000001777867	301875899	/nfs/dbraw/zinc/87/58/99/301875899.db2.gz	RXXBJFHQPOIFFJ-ZHACJKMWSA-N	-1	0	334.378	1.603	50	10		EDCARM
CN(C)c1ccc(CN2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)[O-])[C@@H]4C2=O)cc1	ZINC000003882454	210084004	/nfs/dbraw/zinc/08/40/04/210084004.db2.gz	WBLRWQFVVHCCLM-BASYENTBSA-N	-1	0	328.368	1.119	50	10		EDCARM
O=C1[N-]C(=O)C(=Cc2nc(-c3ccccc3)n3ccccc23)C(=O)N1	ZINC000001280977	440840418	/nfs/dbraw/zinc/84/04/18/440840418.db2.gz	XFXSRHLTLBAOAF-UHFFFAOYSA-N	-1	0	332.319	1.751	50	10		EDCARM
O=C(Oc1cccc(C=C2C(=O)[N-]C(=O)NC2=O)c1)c1cccs1	ZINC000002946208	440884898	/nfs/dbraw/zinc/88/48/98/440884898.db2.gz	LFJGLGGUYLFFCF-UHFFFAOYSA-N	-1	0	342.332	1.717	50	10		EDCARM
O=C1[N-]C(=S)N(c2cccc3ccccc32)C(=O)C1=CNCCO	ZINC000005889324	440973234	/nfs/dbraw/zinc/97/32/34/440973234.db2.gz	NEYVSUQSVREPSE-RAXLEYEMSA-N	-1	0	341.392	1.053	50	10		EDCARM
Cc1cc(C(=O)[O-])ccc1-c1ccc(C=C2C(=O)[N-]C(=O)NC2=O)o1	ZINC000004524313	210213892	/nfs/dbraw/zinc/21/38/92/210213892.db2.gz	AEQKBXVUAWENSY-UHFFFAOYSA-N	-1	0	340.291	1.703	50	10		EDCARM
CC(=O)NN1C(=O)/C(=C\c2ccc([O-])c([N+](=O)[O-])c2)SC1=S	ZINC000012379541	211360012	/nfs/dbraw/zinc/36/00/12/211360012.db2.gz	OZWIBTIWCILAQD-BJMVGYQFSA-N	-1	0	339.354	1.553	50	10		EDCARM
O=C1[N-]C(=O)N(Cc2ccc(F)cc2)C(=O)C1=CNC[C@H]1CCCO1	ZINC000005763482	440968711	/nfs/dbraw/zinc/96/87/11/440968711.db2.gz	XWCRTORVLPZOGD-OZYJXZHSSA-N	-1	0	347.346	1.057	50	10		EDCARM
COCCN(CC(=O)[O-])C(=O)/C=C\c1ccc(N2CCOCC2)cc1	ZINC000606441090	449467784	/nfs/dbraw/zinc/46/77/84/449467784.db2.gz	DPRQTABLAUFTSB-DAXSKMNVSA-N	-1	0	348.399	1.096	50	10		EDCARM
COc1ccc(Br)cc1C=C1C(=O)[N-]C(=O)NC1=O	ZINC000003157620	440890144	/nfs/dbraw/zinc/89/01/44/440890144.db2.gz	KBXSOYXHQSZGHF-UHFFFAOYSA-N	-1	0	325.118	1.207	50	10		EDCARM
Cc1[n-]n(-c2ccc(Br)cc2)c(=O)c1C=Nn1cnnc1	ZINC000101129475	441154516	/nfs/dbraw/zinc/15/45/16/441154516.db2.gz	QEXGGAIRXFFCKV-WUXMJOGZSA-N	-1	0	347.176	1.891	50	10		EDCARM
CCOc1ccc(N2C(=O)[N-]C(=O)C(=CN[C@@H](C)CC)C2=O)cc1	ZINC000019595310	441258635	/nfs/dbraw/zinc/25/86/35/441258635.db2.gz	QJCKRIIEHFPPAD-HKLRHMNMSA-N	-1	0	331.372	1.940	50	10		EDCARM
CC(C)(C)c1ccc(C(=O)N[C@H](CCS(C)(=O)=O)C(=O)[O-])cc1	ZINC000008981607	278560095	/nfs/dbraw/zinc/56/00/95/278560095.db2.gz	NUHXLIGAMZXDEO-CYBMUJFWSA-N	-1	0	341.429	1.602	50	10		EDCARM
CCN1c2ccccc2/C(=C2/SC(=S)N(CC(=O)[O-])C2=O)C1=O	ZINC000001220951	440840714	/nfs/dbraw/zinc/84/07/14/440840714.db2.gz	AACAAUQRMCLPLB-QXMHVHEDSA-N	-1	0	348.405	1.709	50	10		EDCARM
COc1cc(C=C2C(=O)[N-]C(=O)NC2=O)ccc1OCCC(C)C	ZINC000002820346	440879987	/nfs/dbraw/zinc/87/99/87/440879987.db2.gz	JBDDZWSEUHHVKQ-UHFFFAOYSA-N	-1	0	332.356	1.870	50	10		EDCARM
CN1C(=O)C(=Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C(=O)N(C)C1=O	ZINC000015016076	441193351	/nfs/dbraw/zinc/19/33/51/441193351.db2.gz	BJIXECGERQBCHE-UHFFFAOYSA-N	-1	0	339.691	1.388	50	10		EDCARM
Cc1ccc(C(=O)Nc2cccc(C=C3C(=O)[N-]C(=O)NC3=O)c2)cc1	ZINC000003305728	210002482	/nfs/dbraw/zinc/00/24/82/210002482.db2.gz	NLGNINISNRBUEH-UHFFFAOYSA-N	-1	0	349.346	1.997	50	10		EDCARM
O=C1/C(=C/c2cccs2)SC(=S)N1CCS(=O)(=O)[O-]	ZINC000004892290	210314298	/nfs/dbraw/zinc/31/42/98/210314298.db2.gz	OWACYNFILNEKKP-VURMDHGXSA-N	-1	0	335.453	1.837	50	10		EDCARM
Cc1c(C=C2C(=O)[N-]C(=O)NC2=O)c(=O)n(-c2ccccc2)n1C	ZINC000002981574	440886355	/nfs/dbraw/zinc/88/63/55/440886355.db2.gz	NKPQANDNJFQHDW-UHFFFAOYSA-N	-1	0	326.312	1.074	50	10		EDCARM
CN(C)c1ccc(C=C2C(=O)[N-]C(=O)NC2=O)cc1Br	ZINC000003880440	440906628	/nfs/dbraw/zinc/90/66/28/440906628.db2.gz	YFTHJJMYZPYMPQ-UHFFFAOYSA-N	-1	0	338.161	1.265	50	10		EDCARM
COC(=O)c1ccc(C(=O)OC)c2c1N[C@@H](C(=O)[O-])[C@H]1CC=C[C@@H]21	ZINC000036352073	292008621	/nfs/dbraw/zinc/00/86/21/292008621.db2.gz	GOJPJRTVUUKVBZ-TVLCNXBWSA-N	-1	0	331.324	1.798	50	10		EDCARM
CN1c2ccccc2/C(=C2/SC(=S)N(CC(=O)[O-])C2=O)C1=O	ZINC000001229713	290319273	/nfs/dbraw/zinc/31/92/73/290319273.db2.gz	ROKVNEQXDYAWBY-KHPPLWFESA-N	-1	0	334.378	1.319	50	10		EDCARM
O=C1[N-]N(c2ccccc2)C(=O)/C1=C/c1cc2ccccc2[nH]c1=O	ZINC000000105878	440798901	/nfs/dbraw/zinc/79/89/01/440798901.db2.gz	LLWNBFNLXNLBLX-RVDMUPIBSA-N	-1	0	331.331	1.990	50	10		EDCARM
COc1ccc(/C=C2/C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc1	ZINC000000451615	440823182	/nfs/dbraw/zinc/82/31/82/440823182.db2.gz	BCGNRQQCLBFTFI-ZROIWOOFSA-N	-1	0	326.308	1.950	50	10		EDCARM
O=C1/C(=C/c2ccccc2F)SC(=S)N1CCS(=O)(=O)[O-]	ZINC000002829695	440879165	/nfs/dbraw/zinc/87/91/65/440879165.db2.gz	CYXYRPVFKDBIBI-YFHOEESVSA-N	-1	0	347.414	1.915	50	10		EDCARM
O=C1/C(=C\c2cccs2)SC(=S)N1CCS(=O)(=O)[O-]	ZINC000005551838	440958726	/nfs/dbraw/zinc/95/87/26/440958726.db2.gz	OWACYNFILNEKKP-SOFGYWHQSA-N	-1	0	335.453	1.837	50	10		EDCARM
O=C1[N-]C(=O)N(C[C@H]2CCCO2)C(=O)C1=CNc1ccccc1Cl	ZINC000009356201	211074254	/nfs/dbraw/zinc/07/42/54/211074254.db2.gz	WHMKZDCNZZHVDS-MXBGMFSPSA-N	-1	0	349.774	1.893	50	10		EDCARM
O=C1[N-]C(=O)C(=Cc2cccn2-c2cccc([N+](=O)[O-])c2)C(=O)N1	ZINC000009087574	211038935	/nfs/dbraw/zinc/03/89/35/211038935.db2.gz	RFTAPWGRSOROLL-UHFFFAOYSA-N	-1	0	326.268	1.975	50	10		EDCARM
COc1ccc(NC=C2C(=O)[N-]C(=O)N(C[C@H]3CCCO3)C2=O)cc1	ZINC000006995707	441029463	/nfs/dbraw/zinc/02/94/63/441029463.db2.gz	KRFQNBVPPAIKLX-CKXDQPNJSA-N	-1	0	345.355	1.248	50	10		EDCARM
C[C@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(O)c(O)c2)SC1=S	ZINC000005351268	440951137	/nfs/dbraw/zinc/95/11/37/440951137.db2.gz	UBUWBGLWQWRFHG-XREMMQICSA-N	-1	0	325.367	1.772	50	10		EDCARM
Cn1cccc1/C=C1/C(=O)[N-]C(=S)N(c2ccccc2F)C1=O	ZINC000015013519	294374936	/nfs/dbraw/zinc/37/49/36/294374936.db2.gz	MFMARZZDMBQGTG-LUAWRHEFSA-N	-1	0	329.356	1.996	50	10		EDCARM
O=C([O-])c1cccc(NC=C2C(=O)NC(=S)N(C3CC3)C2=O)c1	ZINC000006276506	440986110	/nfs/dbraw/zinc/98/61/10/440986110.db2.gz	AYWPRGVKVXZIAE-YRNVUSSQSA-N	-1	0	331.353	1.086	50	10		EDCARM
Cn1c(=O)c(C2=NNC(=O)C2=Cc2ccco2)c([O-])c2ccccc21	ZINC000100260991	441151419	/nfs/dbraw/zinc/15/14/19/441151419.db2.gz	XILHIWSDODVJRU-XFXZXTDPSA-N	-1	0	335.319	1.755	50	10		EDCARM
COc1cc(/C=C2\NC(=S)N(C)C2=O)cc(Br)c1O	ZINC000100289202	219096022	/nfs/dbraw/zinc/09/60/22/219096022.db2.gz	PCSFHLHHPWUJQS-YWEYNIOJSA-N	-1	0	343.202	1.851	50	10		EDCARM
O=C1[N-]C(=S)N(c2ccccc2F)C(=O)C1=CNC1CCCC1	ZINC000075261101	441515307	/nfs/dbraw/zinc/51/53/07/441515307.db2.gz	GSXIKHWDNPENNC-PKNBQFBNSA-N	-1	0	333.388	1.990	50	10		EDCARM
COc1ccc(N2C(=O)[N-]C(=O)C(=CNN3CCCCC3)C2=O)cc1	ZINC000019949148	212089762	/nfs/dbraw/zinc/08/97/62/212089762.db2.gz	CXSIMXOGPCROGO-KAMYIIQDSA-N	-1	0	344.371	1.152	50	10		EDCARM
CN(C)c1ccc(/C=C2/C(=O)[N-]C(=O)N(C[C@H]3CCCO3)C2=O)cc1	ZINC000012436604	211379169	/nfs/dbraw/zinc/37/91/69/211379169.db2.gz	ZYUZFHHCUMSGSZ-MKRLJBPISA-N	-1	0	343.383	1.393	50	10		EDCARM
CN1C(=O)[N-]C(=O)/C(=C\c2ccc(O)c(Br)c2)C1=O	ZINC000002899867	276879795	/nfs/dbraw/zinc/87/97/95/276879795.db2.gz	XTZDEPZCHPWGNQ-QPJJXVBHSA-N	-1	0	325.118	1.246	50	10		EDCARM
CN(C)S(=O)(=O)c1cc2c(c(O)c1[O-])C(=O)c1ccccc1C2=O	ZINC000072194196	289267244	/nfs/dbraw/zinc/26/72/44/289267244.db2.gz	ZAHHLIYHBRMFPQ-UHFFFAOYSA-N	-1	0	347.348	1.124	50	10		EDCARM
COc1cc(C=C2C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OC(C)C	ZINC000002949576	440884388	/nfs/dbraw/zinc/88/43/88/440884388.db2.gz	KWAPLUGXMFGVPI-UHFFFAOYSA-N	-1	0	338.747	1.885	50	10		EDCARM
O=C1[N-]C(=O)C(=Cc2nc(-c3cccs3)n3ccccc23)C(=O)N1	ZINC000007998474	441078736	/nfs/dbraw/zinc/07/87/36/441078736.db2.gz	FGRHVZDPSUHPOJ-UHFFFAOYSA-N	-1	0	338.348	1.812	50	10		EDCARM
O=C1[N-]C(=O)N(Cc2ccccc2Cl)C(=O)/C1=C/N1CCOCC1	ZINC000032673073	441565063	/nfs/dbraw/zinc/56/50/63/441565063.db2.gz	YPBIYZDCSMPRGD-ZRDIBKRKSA-N	-1	0	349.774	1.135	50	10		EDCARM
COc1cccc([C@H]2CC(C(=O)[O-])=Nc3nc(SC)nn32)c1O	ZINC000101599917	219143693	/nfs/dbraw/zinc/14/36/93/219143693.db2.gz	JNTHYTKURBHPMS-SECBINFHSA-N	-1	0	334.357	1.698	50	10		EDCARM
O=C([O-])c1cc(NC(=O)C[C@H]2SC(=S)NC2=O)ccc1Cl	ZINC000034926868	213001240	/nfs/dbraw/zinc/00/12/40/213001240.db2.gz	DTZXVLKDWMJBJS-MRVPVSSYSA-N	-1	0	344.801	1.883	50	10		EDCARM
COc1cc(C=C2C(=O)[N-]C(=O)NC2=O)c(Br)cc1O	ZINC000017918252	441245944	/nfs/dbraw/zinc/24/59/44/441245944.db2.gz	JMZFSMRWKQLQBV-UHFFFAOYSA-N	-1	0	341.117	1.753	50	10		EDCARM
COC(=O)Cc1c(C)c2ccc([O-])c(CN3CCOCC3)c2oc1=O	ZINC000085876423	441454186	/nfs/dbraw/zinc/45/41/86/441454186.db2.gz	JRYVGESKMBHEHZ-UHFFFAOYSA-N	-1	0	347.367	1.355	50	10		EDCARM
O=C([O-])[C@@H]1CCN(C(=O)/C=C\c2ccc(N3CCOCC3)cc2)C1	ZINC000255196322	443089896	/nfs/dbraw/zinc/08/98/96/443089896.db2.gz	ILFBLSDZMPXDTG-OMVNSRBRSA-N	-1	0	330.384	1.470	50	10		EDCARM
CCCCCS(=O)(=O)Nc1ccc([O-])c(S(=O)(=O)NC)c1	ZINC000225663035	443117981	/nfs/dbraw/zinc/11/79/81/443117981.db2.gz	WQIIUILLQNZWOJ-UHFFFAOYSA-N	-1	0	336.435	1.232	50	10		EDCARM
CC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1cnn(CC(F)F)c1	ZINC000330031932	258003000	/nfs/dbraw/zinc/00/30/00/258003000.db2.gz	GFUZGNOIUZYRPO-UHFFFAOYSA-N	-1	0	345.327	1.857	50	10		EDCARM
O=C(CCNC(=O)C1CCCC1)NCc1cc([N+](=O)[O-])ccc1[O-]	ZINC000044918034	440912004	/nfs/dbraw/zinc/91/20/04/440912004.db2.gz	OVZIOVDWGLPOKB-UHFFFAOYSA-N	-1	0	335.360	1.613	50	10		EDCARM
O=C1[N-]C(=O)N(c2ccccc2)C(=O)C1=CNCCCn1ccnc1	ZINC000020025235	441262141	/nfs/dbraw/zinc/26/21/41/441262141.db2.gz	ZLINESVSLKCBFH-SDNWHVSQSA-N	-1	0	339.355	1.030	50	10		EDCARM
CC(=O)c1ccc([O-])c(C(=O)NC2(O)C(=O)c3ccccc3C2=O)c1	ZINC000000143722	278248443	/nfs/dbraw/zinc/24/84/43/278248443.db2.gz	HJKSLRZNJYTLPX-UHFFFAOYSA-N	-1	0	339.303	1.092	50	10		EDCARM
COc1cc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)ccc1O	ZINC000001234726	440840474	/nfs/dbraw/zinc/84/04/74/440840474.db2.gz	MXJYMMBWGRJYDW-BJMVGYQFSA-N	-1	0	325.367	1.687	50	10		EDCARM
C[C@H](NC1=NC(=O)C(=Cc2ccccc2-n2cccn2)S1)C(=O)[O-]	ZINC000005720648	440966641	/nfs/dbraw/zinc/96/66/41/440966641.db2.gz	IAKMWWMHZXECRI-AVMBBCFPSA-N	-1	0	342.380	1.905	50	10		EDCARM
CC(=O)N(C)c1ccc(N=Nc2c(C)[n-]n(C(N)=S)c2=O)cc1	ZINC000100524799	219101356	/nfs/dbraw/zinc/10/13/56/219101356.db2.gz	QZKUTISYFKZPGN-QIVXWBPLSA-N	-1	0	332.389	1.583	50	10		EDCARM
CC1=NN(c2nc(=O)c(C)n[n-]2)C(=O)/C1=C\c1ccc(N(C)C)cc1	ZINC000012371993	211359349	/nfs/dbraw/zinc/35/93/49/211359349.db2.gz	SBZCXOJSBGBTLG-ZROIWOOFSA-N	-1	0	338.371	1.345	50	10		EDCARM
O=C1[N-]C(=O)C(=Cc2cccc(OC(F)(F)C(F)F)c2)C(=O)N1	ZINC000001163359	440840925	/nfs/dbraw/zinc/84/09/25/440840925.db2.gz	BJEFIKOHKVLPJI-UHFFFAOYSA-N	-1	0	332.209	1.673	50	10		EDCARM
Cc1ccc(N2C(=O)[N-]C(=O)C(=CNN3CCCCC3)C2=O)cc1C	ZINC000017208697	441238574	/nfs/dbraw/zinc/23/85/74/441238574.db2.gz	SACDEIIESXEMIM-PTNGSMBKSA-N	-1	0	342.399	1.965	50	10		EDCARM
COc1ccccc1N=Cc1c(C)[n-]n(-c2ccc3nncn3n2)c1=O	ZINC000101641153	219150577	/nfs/dbraw/zinc/15/05/77/219150577.db2.gz	VBFHGVQHILYKIE-FMIVXFBMSA-N	-1	0	349.354	1.851	50	10		EDCARM
COC(=O)c1ccc(C(=O)OC)c2c1N[C@H](C(=O)[O-])[C@@H]1CC=C[C@H]21	ZINC000004237848	292008591	/nfs/dbraw/zinc/00/85/91/292008591.db2.gz	GOJPJRTVUUKVBZ-QIBSRJKCSA-N	-1	0	331.324	1.798	50	10		EDCARM
CCOc1cc(N(CC)CC)ccc1C=C1C(=O)[N-]C(=O)NC1=O	ZINC000002897913	440882479	/nfs/dbraw/zinc/88/24/79/440882479.db2.gz	MDHATLSQVXVGSK-UHFFFAOYSA-N	-1	0	331.372	1.681	50	10		EDCARM
NC(=O)c1c(SCC(=O)[O-])ccc2c1C(=O)c1ccccc1C2=O	ZINC000003845280	440907596	/nfs/dbraw/zinc/90/75/96/440907596.db2.gz	BMRHOQFAXNOYBW-UHFFFAOYSA-N	-1	0	341.344	1.738	50	10		EDCARM
CN1C(=N)N(C)C(=O)C(=Cc2cc(Cl)cc(Cl)c2[O-])C1=O	ZINC000020518788	441264865	/nfs/dbraw/zinc/26/48/65/441264865.db2.gz	WLRYRSLRBUGBHP-UHFFFAOYSA-N	-1	0	328.155	1.948	50	10		EDCARM
CN(C)c1ccc([C@H]2CC(c3c([O-])[nH]c(=S)n(C)c3=O)=NN2)cc1	ZINC000101763381	204021432	/nfs/dbraw/zinc/02/14/32/204021432.db2.gz	STEXCXYLCSPPKW-LLVKDONJSA-N	-1	0	345.428	1.653	50	10		EDCARM
Cc1cc(N2C(=O)[N-]C(=O)C(=CO)C2=O)ccc1Br	ZINC000101123310	219117083	/nfs/dbraw/zinc/11/70/83/219117083.db2.gz	DLGAOLANVFYWSD-YVMONPNESA-N	-1	0	325.118	1.782	50	10		EDCARM
CC[C@@H](C)N1C(=O)C(=CNc2ccccc2C(=O)[O-])C(=O)NC1=S	ZINC000020391416	286777774	/nfs/dbraw/zinc/77/77/74/286777774.db2.gz	ZIJNUKDAJHNQOF-FJUNDMEASA-N	-1	0	347.396	1.722	50	10		EDCARM
Cc1nn(-c2ccc(C)c(C)c2)c(C)c1C=C1C(=O)[N-]C(=O)NC1=O	ZINC000003464175	440899563	/nfs/dbraw/zinc/89/95/63/440899563.db2.gz	NYNNLPZBOSLMFQ-UHFFFAOYSA-N	-1	0	338.367	1.855	50	10		EDCARM
CCOc1ccc(Br)c(C=C2C(=O)[N-]C(=O)NC2=O)c1	ZINC000003460741	440900500	/nfs/dbraw/zinc/90/05/00/440900500.db2.gz	RVQGEVROOSRATG-UHFFFAOYSA-N	-1	0	339.145	1.597	50	10		EDCARM
O=C1[N-]C(=O)N(C2CCCCCC2)C(=O)/C1=C/NN1CCCCC1	ZINC000005093066	440937209	/nfs/dbraw/zinc/93/72/09/440937209.db2.gz	GVAAEGNEEQWWGZ-WYMLVPIESA-N	-1	0	334.420	1.662	50	10		EDCARM
COc1ccc(N(CC(=O)[O-])CC(=O)N2C[C@H](C)O[C@@H](C)C2)cc1	ZINC000034926566	213000713	/nfs/dbraw/zinc/00/07/13/213000713.db2.gz	VGAHTWROKUMTOU-STQMWFEESA-N	-1	0	336.388	1.222	50	10		EDCARM
COc1ccc(N2C(=O)[N-]C(=O)C(=CNN3CCCCC3)C2=O)cc1	ZINC000009088465	536657200	/nfs/dbraw/zinc/65/72/00/536657200.db2.gz	CXSIMXOGPCROGO-SDNWHVSQSA-N	-1	0	344.371	1.357	50	10		EDCARM
O=C1[N-]C(=O)C(=CNc2ccc(Br)cc2Cl)C(=O)N1	ZINC000075261181	202379977	/nfs/dbraw/zinc/37/99/77/202379977.db2.gz	VOQLGOOCKIBVPR-UHFFFAOYSA-N	-1	0	344.552	1.764	50	10		EDCARM
O=C([O-])CCN1C(=O)/C(=C/c2ccc([N+](=O)[O-])o2)SC1=S	ZINC000004942278	205731492	/nfs/dbraw/zinc/73/14/92/205731492.db2.gz	HTHQDHPDPQMZLP-ALCCZGGFSA-N	-1	0	328.327	1.864	50	10		EDCARM
COC(=O)c1ccc(C(=O)OC)c2c1N[C@@H](C(=O)[O-])[C@H]1CC=C[C@H]21	ZINC000036352074	292008569	/nfs/dbraw/zinc/00/85/69/292008569.db2.gz	GOJPJRTVUUKVBZ-UINNMSKDSA-N	-1	0	331.324	1.798	50	10		EDCARM
COc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OCC(=O)[O-]	ZINC000002119631	440857567	/nfs/dbraw/zinc/85/75/67/440857567.db2.gz	ZJCFLSBLFPKYFS-WDZFZDKYSA-N	-1	0	339.394	1.990	50	10		EDCARM
Cn1cccc1/C=C1\C(=O)[N-]C(=S)N(c2ccccc2F)C1=O	ZINC000000309673	440814746	/nfs/dbraw/zinc/81/47/46/440814746.db2.gz	MFMARZZDMBQGTG-PKNBQFBNSA-N	-1	0	329.356	1.996	50	10		EDCARM
C[C@H](NC(=O)c1ccoc1)C(=O)NCc1cc([N+](=O)[O-])ccc1[O-]	ZINC000048165185	441267274	/nfs/dbraw/zinc/26/72/74/441267274.db2.gz	OFQRFVMSFXOUMP-VIFPVBQESA-N	-1	0	333.300	1.328	50	10		EDCARM
CC1=NN(c2nnc(C)c(=O)[n-]2)C(=O)C1=Cc1ccc(N(C)C)cc1	ZINC000000055903	201428087	/nfs/dbraw/zinc/42/80/87/201428087.db2.gz	SBZCXOJSBGBTLG-NTEUORMPSA-N	-1	0	338.371	1.758	50	10		EDCARM
Cc1cc(O)c2c(c1)C(=O)c1cc([O-])c(C[NH+](C)C)c([O-])c1C2=O	ZINC000020111521	301369551	/nfs/dbraw/zinc/36/95/51/301369551.db2.gz	HFDQQHZBQBZRBU-UHFFFAOYSA-N	-1	0	327.336	1.949	50	10		EDCARM
CCOC(=O)c1csc(=NNS(=O)(=O)c2ccccc2)[n-]1	ZINC000001415077	440844644	/nfs/dbraw/zinc/84/46/44/440844644.db2.gz	GVXLLLWMEFOXGV-UHFFFAOYSA-N	-1	0	327.387	1.625	50	10		EDCARM
COc1cccc(NC=C2C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)c1	ZINC000008494574	201750295	/nfs/dbraw/zinc/75/02/95/201750295.db2.gz	YOXUSOWSCCYRSN-ZROIWOOFSA-N	-1	0	341.323	1.863	50	10		EDCARM
O=C1NC(=S)S/C1=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1[O-]	ZINC000003023825	296359737	/nfs/dbraw/zinc/35/97/37/296359737.db2.gz	PWNISSIOUAVKSG-FARCUNLSSA-N	-1	0	327.299	1.697	50	10		EDCARM
COc1cccc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)c1OC	ZINC000000966879	440836041	/nfs/dbraw/zinc/83/60/41/440836041.db2.gz	INTKVUIEDMELRL-UXBLZVDNSA-N	-1	0	339.394	1.990	50	10		EDCARM
CCN1C(=O)[N-]C(=O)C(=CNCCc2c[nH]c3ccccc23)C1=O	ZINC000018090748	441248140	/nfs/dbraw/zinc/24/81/40/441248140.db2.gz	ZLDAFEUDMFCJDQ-RAXLEYEMSA-N	-1	0	326.356	1.282	50	10		EDCARM
Cc1cc(N2CCCC2)ccc1/C=C1/NC(=O)N(CC(=O)[O-])C1=O	ZINC000009259790	201772709	/nfs/dbraw/zinc/77/27/09/201772709.db2.gz	AELCRCIFRTYDCD-NTEUORMPSA-N	-1	0	329.356	1.573	50	10		EDCARM
COc1ccc(N(CC(=O)[O-])CC(=O)NCc2cccs2)cc1	ZINC000034926491	213001569	/nfs/dbraw/zinc/00/15/69/213001569.db2.gz	GSGNBEADOCLIKJ-UHFFFAOYSA-N	-1	0	334.397	1.964	50	10		EDCARM
O=C([O-])c1cc(S(=O)(=O)Nc2ccc3c(c2)OCO3)ccc1O	ZINC000013345246	207375523	/nfs/dbraw/zinc/37/55/23/207375523.db2.gz	KVAVQUWULXTETA-UHFFFAOYSA-N	-1	0	337.309	1.620	50	10		EDCARM
O=C1[N-]C(=O)N(CCC2=CCCCC2)C(=O)C1=CNC[C@H]1CCCO1	ZINC000005829779	440972015	/nfs/dbraw/zinc/97/20/15/440972015.db2.gz	CMKBJZFOQVSMLE-QAALXFNPSA-N	-1	0	347.415	1.608	50	10		EDCARM
O=C([O-])c1cnc(C(=O)NCc2c(O)ccc3c2CCCC3)cn1	ZINC000296891764	444261148	/nfs/dbraw/zinc/26/11/48/444261148.db2.gz	YDMDYTAGUURPHJ-UHFFFAOYSA-N	-1	0	327.340	1.689	50	10		EDCARM
O=C([O-])c1ccc(NC=C2C(=O)NC(=S)N(C3CC3)C2=O)cc1	ZINC000018152191	295990265	/nfs/dbraw/zinc/99/02/65/295990265.db2.gz	HNXUPMNTWHAQRI-YRNVUSSQSA-N	-1	0	331.353	1.086	50	10		EDCARM
Cn1c2nc(N=NNc3cccc(Cl)c3)[n-]c2c(=O)n(C)c1=O	ZINC000004478089	440919232	/nfs/dbraw/zinc/91/92/32/440919232.db2.gz	QWNBINZKTOUVMX-UHFFFAOYSA-N	-1	0	333.739	1.725	50	10		EDCARM
COc1ccc(NC=C2C(=O)[N-]C(=O)N(C(C)(C)C)C2=O)c(OC)c1	ZINC000009460952	441105698	/nfs/dbraw/zinc/10/56/98/441105698.db2.gz	MILXZWCWDDYBCP-LUAWRHEFSA-N	-1	0	347.371	1.877	50	10		EDCARM
COc1ccc(N=Nc2c(=O)[nH][n-]c2C2CCN(C(C)=O)CC2)cc1	ZINC000100238919	441151472	/nfs/dbraw/zinc/15/14/72/441151472.db2.gz	QMTIUIILVXEZJB-RJCBAWPRSA-N	-1	0	343.387	1.892	50	10		EDCARM
O=C1[N-]C(=O)N(Cc2ccco2)C(=O)C1=CNc1ccc(O)cc1	ZINC000100986947	441153553	/nfs/dbraw/zinc/15/35/53/441153553.db2.gz	WEEPMNUFPVMWRC-MDWZMJQESA-N	-1	0	327.296	1.560	50	10		EDCARM
COc1ccc(OC)c(N2C(=O)[N-]C(=O)C(=Cc3ccco3)C2=O)c1	ZINC000013552329	441161107	/nfs/dbraw/zinc/16/11/07/441161107.db2.gz	TXXVFQBQMFDVHP-XYOKQWHBSA-N	-1	0	342.307	1.963	50	10		EDCARM
COc1cccc([C@@H]2CC(C(=O)[O-])=Nc3nc(SC)nn32)c1O	ZINC000101599912	219143967	/nfs/dbraw/zinc/14/39/67/219143967.db2.gz	JNTHYTKURBHPMS-VIFPVBQESA-N	-1	0	334.357	1.698	50	10		EDCARM
O=C([O-])c1cc(NC(=O)C[C@@H]2SC(=S)NC2=O)ccc1Cl	ZINC000034926869	213001300	/nfs/dbraw/zinc/00/13/00/213001300.db2.gz	DTZXVLKDWMJBJS-QMMMGPOBSA-N	-1	0	344.801	1.883	50	10		EDCARM
COc1cccc(N2C(=O)[N-]C(=O)C(=CNN3CCCCC3)C2=O)c1	ZINC000016974149	295304593	/nfs/dbraw/zinc/30/45/93/295304593.db2.gz	ZEHLFPXSQGFHII-SDNWHVSQSA-N	-1	0	344.371	1.993	50	10		EDCARM
COc1ccc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)cc1OC	ZINC000000966836	440836257	/nfs/dbraw/zinc/83/62/57/440836257.db2.gz	YRODMNNSVWBMBR-IZZDOVSWSA-N	-1	0	339.394	1.990	50	10		EDCARM
COc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3C)C2=O)c1	ZINC000005943412	440974040	/nfs/dbraw/zinc/97/40/40/440974040.db2.gz	RQQLQBMTNROFRQ-UVTDQMKNSA-N	-1	0	325.324	1.700	50	10		EDCARM
COc1ccc(N2[N-]C(=O)/C(=C\c3ccc(O)c(OC)c3)C2=O)cc1	ZINC000040940077	441630142	/nfs/dbraw/zinc/63/01/42/441630142.db2.gz	JEQRNAXGVJCWQV-NTEUORMPSA-N	-1	0	340.335	1.871	50	10		EDCARM
CN1C(=O)[N-]C(=O)C(=CNN2CCCC[C@H]2c2cccnc2)C1=O	ZINC000008974751	441101690	/nfs/dbraw/zinc/10/16/90/441101690.db2.gz	ZIFUSARHMMUVJC-XSNHNAGMSA-N	-1	0	329.360	1.546	50	10		EDCARM
CN(C)c1ccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)[O-])[C@@H]4C2=O)cc1	ZINC000003882455	210083881	/nfs/dbraw/zinc/08/38/81/210083881.db2.gz	WBLRWQFVVHCCLM-AFIMGQEJSA-N	-1	0	328.368	1.119	50	10		EDCARM
COc1cccc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)c1O	ZINC000000974724	440836127	/nfs/dbraw/zinc/83/61/27/440836127.db2.gz	BKSRHQICNCTURY-WEVVVXLNSA-N	-1	0	325.367	1.687	50	10		EDCARM
C=C(C=C1SCCN1C)C1SC(=S)N(CC(=O)[O-])C1=O	ZINC000002512565	440865250	/nfs/dbraw/zinc/86/52/50/440865250.db2.gz	LNKNWPNGZMWPFA-FQOLVZPASA-N	-1	0	330.456	1.725	50	10		EDCARM
Cc1ccc(/C=C2/SC(=S)N(CCS(=O)(=O)[O-])C2=O)o1	ZINC000004291535	210162577	/nfs/dbraw/zinc/16/25/77/210162577.db2.gz	MUEUAKXHLILQLO-RMKNXTFCSA-N	-1	0	333.412	1.677	50	10		EDCARM
COc1cc(C(=O)[O-])ccc1NC(=O)C[C@H]1SC(=S)NC1=O	ZINC000034926914	213001501	/nfs/dbraw/zinc/00/15/01/213001501.db2.gz	UCQJIFLVZZFRDN-SECBINFHSA-N	-1	0	340.382	1.239	50	10		EDCARM
O=C1[N-]C(=O)N(Cc2ccco2)C(=O)C1=CNN1CCCCCC1	ZINC000006926640	210745285	/nfs/dbraw/zinc/74/52/85/210745285.db2.gz	UDMWEEXJFYRUKP-JLHYYAGUSA-N	-1	0	332.360	1.327	50	10		EDCARM
CN(C)c1ccc([C@H]2CC(=C3C(=O)[N-]C(=O)N(C)C3=O)NN2)cc1	ZINC000008739798	441099793	/nfs/dbraw/zinc/09/97/93/441099793.db2.gz	MYCIBIURGYRFNH-LPJIALBHSA-N	-1	0	329.360	1.094	50	10		EDCARM
COc1ccc(N2CCOCC2)cc1NC(=O)[C@H]1[C@@H](C(=O)[O-])C1(C)C	ZINC000071286731	441144052	/nfs/dbraw/zinc/14/40/52/441144052.db2.gz	MHPSFYISRVPFCX-CABCVRRESA-N	-1	0	348.399	1.827	50	10		EDCARM
COc1ccc(NC=C2C(=O)[N-]C(=O)N(C[C@@H]3CCCO3)C2=O)cc1	ZINC000103844482	441186311	/nfs/dbraw/zinc/18/63/11/441186311.db2.gz	KRFQNBVPPAIKLX-FYQHACEVSA-N	-1	0	345.355	1.248	50	10		EDCARM
COc1ccc(N(CC(=O)[O-])CC(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1	ZINC000034926565	213000900	/nfs/dbraw/zinc/00/09/00/213000900.db2.gz	VGAHTWROKUMTOU-BETUJISGSA-N	-1	0	336.388	1.222	50	10		EDCARM
O=C([O-])[C@@H]1Nc2c(C(=O)N3CCOCC3)cccc2[C@H]2C=CC[C@@H]21	ZINC000005046792	304154784	/nfs/dbraw/zinc/15/47/84/304154784.db2.gz	BAFWMUGYCDOMKF-PVXIVEMSSA-N	-1	0	328.368	1.697	50	10		EDCARM
CCCC[C@@H](CC)COCCCNC=C1C(=O)[N-]C(=O)N(C)C1=O	ZINC000095346043	218282480	/nfs/dbraw/zinc/28/24/80/218282480.db2.gz	VMUVSQZZGKOPIM-KECPUOCWSA-N	-1	0	339.436	1.791	50	10		EDCARM
O=C([O-])c1ccccc1NC=C1C(=O)NC(=S)N(C2CC2)C1=O	ZINC000002411209	440862258	/nfs/dbraw/zinc/86/22/58/440862258.db2.gz	CEDFWNIZYOBMCL-JXMROGBWSA-N	-1	0	331.353	1.086	50	10		EDCARM
CSc1ncc(/C=C2/C(=O)[N-]C(=O)N(C3CCCCC3)C2=O)cn1	ZINC000000457030	440823607	/nfs/dbraw/zinc/82/36/07/440823607.db2.gz	PMPHHXZPZXBCSK-GHXNOFRVSA-N	-1	0	346.412	1.993	50	10		EDCARM