smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)c1n[n-]nc1[C@H]1CCCCN1C	ZINC000685952523	538896360	/nfs/dbraw/zinc/89/63/60/538896360.db2.gz	AFEUPYGPXJOYHY-SSDOTTSWSA-N	-1	1	224.264	0.748	10	0		BCAEMM
O=C([O-])[C@H]1CS[C@H](C2CCOCC2)N1	ZINC000052175663	398190447	/nfs/dbraw/zinc/19/04/47/398190447.db2.gz	GNGZRMMEOSFJAG-HTQZYQBOSA-N	-1	1	217.290	0.529	10	0		BCAEMM
Cc1cc(NCc2nn[n-]n2)ccc1N	ZINC000044925662	178176246	/nfs/dbraw/zinc/17/62/46/178176246.db2.gz	QPAQVFZUILOUAA-UHFFFAOYSA-N	-1	1	204.237	0.702	10	0		BCAEMM
CCCCc1ncc(C(=O)OC)c(=O)[n-]1	ZINC000200369682	538948450	/nfs/dbraw/zinc/94/84/50/538948450.db2.gz	QGNUFUJPQMRFTE-UHFFFAOYSA-N	-1	1	210.233	0.899	10	0		BCAEMM
CSCC[C@H](NC(=O)C(F)(F)F)C(=O)[O-]	ZINC000003209754	342731726	/nfs/dbraw/zinc/73/17/26/342731726.db2.gz	JRGQIDFOMSJLPW-BYPYZUCNSA-N	-1	1	245.222	0.871	10	0		BCAEMM
O=C([O-])c1cnc(CC(F)(F)F)[nH]c1=O	ZINC000050103013	539010444	/nfs/dbraw/zinc/01/04/44/539010444.db2.gz	FIBGGHXIPGKUIH-UHFFFAOYSA-N	-1	1	222.122	0.573	10	0		BCAEMM
CN(C)c1ccc(/C=C(\N)C(=O)[O-])cn1	ZINC000308929499	342877271	/nfs/dbraw/zinc/87/72/71/342877271.db2.gz	NGOAGYSANSSRSJ-YVMONPNESA-N	-1	1	207.233	0.532	10	0		BCAEMM
CN(C)S(=O)(=O)[N-]CC(F)(F)C(F)F	ZINC000308589883	346885952	/nfs/dbraw/zinc/88/59/52/346885952.db2.gz	URXWAHCYEMCXOX-UHFFFAOYSA-N	-1	1	238.206	0.283	10	0		BCAEMM
CCN1C[C@@H](c2nc(=N)o[n-]2)CCC1=O	ZINC000584883617	343086694	/nfs/dbraw/zinc/08/66/94/343086694.db2.gz	XEMIIAQGJYHBIZ-LURJTMIESA-N	-1	1	210.237	0.208	10	0		BCAEMM
Nc1ccc([C@@H]2CNCCN2C(=O)[O-])cn1	ZINC000142379561	343107767	/nfs/dbraw/zinc/10/77/67/343107767.db2.gz	NQWBBOOYWHDODK-QMMMGPOBSA-N	-1	1	222.248	0.288	10	0		BCAEMM
Cc1ccc(CNC(=O)CNCC(=O)[O-])cc1	ZINC000035385269	187258398	/nfs/dbraw/zinc/25/83/98/187258398.db2.gz	BPLHAYPTENHZFJ-UHFFFAOYSA-N	-1	1	236.271	0.285	10	0		BCAEMM
CSC[C@@H](C)n1c(=O)cc([O-])[nH]c1=O	ZINC000128418933	347000829	/nfs/dbraw/zinc/00/08/29/347000829.db2.gz	FHOUOEONYOFPDE-RXMQYKEDSA-N	-1	1	216.262	0.206	10	0		BCAEMM
O=c1[nH]c(=O)n(C2CCC2)c([O-])c1F	ZINC000159078068	347014010	/nfs/dbraw/zinc/01/40/10/347014010.db2.gz	SLSKWGGEDDRLOA-UHFFFAOYSA-N	-1	1	200.169	0.106	10	0		BCAEMM
C[C@@]1(C(=O)[O-])CCN(Cc2ncno2)C1	ZINC000070798252	343955830	/nfs/dbraw/zinc/95/58/30/343955830.db2.gz	UXCGOULMNCEXRO-SECBINFHSA-N	-1	1	211.221	0.366	10	0		BCAEMM
N#Cc1ccc(O)c(CC(=O)[O-])c1C=O	ZINC000396138675	344614599	/nfs/dbraw/zinc/61/45/99/344614599.db2.gz	RZTOHKCVAZYWQO-UHFFFAOYSA-N	-1	1	205.169	0.703	10	0		BCAEMM
COC(=O)Cc1cc([O-])c(C#N)c(C=O)c1	ZINC000396161671	344634310	/nfs/dbraw/zinc/63/43/10/344634310.db2.gz	PRMOEHQEMORAFA-UHFFFAOYSA-N	-1	1	219.196	0.792	10	0		BCAEMM
C[C@@H]1C[C@H](n2nn[n-]c2=S)CCN1C	ZINC000158718289	344731190	/nfs/dbraw/zinc/73/11/90/344731190.db2.gz	XRSCNRLHPJIHRH-RNFRBKRXSA-N	-1	1	213.310	0.617	10	0		BCAEMM
Cc1n[n-]c(=S)n1Cc1nncn1C	ZINC000050420357	344685947	/nfs/dbraw/zinc/68/59/47/344685947.db2.gz	GTUZUMCLUVVMFL-UHFFFAOYSA-N	-1	1	210.266	0.426	10	0		BCAEMM
O=C([O-])[C@H]1CS[C@H]([C@@H]2CCSC2)N1	ZINC000224605295	344956055	/nfs/dbraw/zinc/95/60/55/344956055.db2.gz	AXGHVULUVHTPRB-FSDSQADBSA-N	-1	1	219.331	0.855	10	0		BCAEMM
O=C([O-])[C@H]1CS[C@@H]([C@@H]2CCSC2)N1	ZINC000224605204	344956069	/nfs/dbraw/zinc/95/60/69/344956069.db2.gz	AXGHVULUVHTPRB-QYNIQEEDSA-N	-1	1	219.331	0.855	10	0		BCAEMM
C[C@@H](c1nn[n-]n1)N1C(=O)c2ccccc2C1=O	ZINC000044316267	345021706	/nfs/dbraw/zinc/02/17/06/345021706.db2.gz	SXEJAJKLCCTAGM-LURJTMIESA-N	-1	1	243.226	0.557	10	0		BCAEMM
Nc1nc(=S)[n-]c([C@@H]2CCSC2)n1	ZINC000137332257	345608498	/nfs/dbraw/zinc/60/84/98/345608498.db2.gz	ANVRRMWEIDWWRU-SCSAIBSYSA-N	-1	1	214.319	0.963	10	0		BCAEMM
Cn1c([O-])cc(=O)n(Cc2ccccc2)c1=O	ZINC000136814725	345821009	/nfs/dbraw/zinc/82/10/09/345821009.db2.gz	GCKDGFOYFCNTNC-UHFFFAOYSA-N	-1	1	232.239	0.997	10	0		BCAEMM
NCC(=O)CCC(=O)OCCCCCC(=O)[O-]	ZINC000143073567	345864512	/nfs/dbraw/zinc/86/45/12/345864512.db2.gz	LBMMWVXCEDNLER-UHFFFAOYSA-N	-1	1	245.275	0.483	10	0		BCAEMM
Cc1ccc2c(c1)n[nH+]c(C(=O)[O-])c2[O-]	ZINC000038996912	178937843	/nfs/dbraw/zinc/93/78/43/178937843.db2.gz	SWAGTDARRHKMIZ-UHFFFAOYSA-N	-1	1	204.185	0.930	10	0		BCAEMM
CCc1csc(NCc2nn[n-]n2)n1	ZINC000061894684	346175172	/nfs/dbraw/zinc/17/51/72/346175172.db2.gz	CMPXIOZDVLKFCK-UHFFFAOYSA-N	-1	1	210.266	0.831	10	0		BCAEMM
O=C([N-]C[C@@H]1CC[C@@H](O)C1)C(F)(F)F	ZINC000236537702	346247727	/nfs/dbraw/zinc/24/77/27/346247727.db2.gz	ODDHZBZZTGFOFJ-PHDIDXHHSA-N	-1	1	211.183	0.826	10	0		BCAEMM
C[C@H](C(N)=O)N1CCCCC[C@H]1C(=O)[O-]	ZINC000251029246	362833269	/nfs/dbraw/zinc/83/32/69/362833269.db2.gz	JUYOQCKISGWPEZ-SFYZADRCSA-N	-1	1	214.265	0.189	10	0		BCAEMM
O=C(N[C@@H]1CCNC1=O)c1c([O-])cccc1F	ZINC000616959233	347533239	/nfs/dbraw/zinc/53/32/39/347533239.db2.gz	OJQMMZJBMJHVFF-SSDOTTSWSA-N	-1	1	238.218	0.150	10	0		BCAEMM
Cc1ccnc(S(=O)(=O)[N-]C(C)C)n1	ZINC000095088538	179464067	/nfs/dbraw/zinc/46/40/67/179464067.db2.gz	YWZZRHHEZOOQID-UHFFFAOYSA-N	-1	1	215.278	0.472	10	0		BCAEMM
Cc1nc2nc(=O)cc(-c3ccnn3C)n2[n-]1	ZINC000725257382	538063496	/nfs/dbraw/zinc/06/34/96/538063496.db2.gz	MNKKHGPFXIHKPX-UHFFFAOYSA-N	-1	1	230.231	0.127	10	0		BCAEMM
CCc1nc2nc(=O)cc(-c3ccnn3C)n2[n-]1	ZINC000725257794	538068074	/nfs/dbraw/zinc/06/80/74/538068074.db2.gz	WXGYZKKLDNVOBF-UHFFFAOYSA-N	-1	1	244.258	0.381	10	0		BCAEMM
Cc1ncc2c(c1[O-])[C@@H](N1CCOCC1)OC2	ZINC000038392659	180178597	/nfs/dbraw/zinc/17/85/97/180178597.db2.gz	WBUUALONSKFMFD-LBPRGKRZSA-N	-1	1	236.271	0.957	10	0		BCAEMM
CC(C)(C)OC(=O)c1nn[n-]c1-c1nc[nH]n1	ZINC000725266279	538096022	/nfs/dbraw/zinc/09/60/22/538096022.db2.gz	DAWAFGVABSVUPN-UHFFFAOYSA-N	-1	1	236.235	0.545	10	0		BCAEMM
CC(C)(C)OC(=O)c1n[n-]nc1-c1nc[nH]n1	ZINC000725266279	538096028	/nfs/dbraw/zinc/09/60/28/538096028.db2.gz	DAWAFGVABSVUPN-UHFFFAOYSA-N	-1	1	236.235	0.545	10	0		BCAEMM
CC(C)[C@]1(C(=O)[O-])C[C@H]1C(=O)N1CCNCC1	ZINC000725267287	538097421	/nfs/dbraw/zinc/09/74/21/538097421.db2.gz	XVVIJKPZVXBDLV-JOYOIKCWSA-N	-1	1	240.303	0.165	10	0		BCAEMM
NC(=O)N1CCNC[C@H]1c1ccccc1C(=O)[O-]	ZINC000616605084	350794230	/nfs/dbraw/zinc/79/42/30/350794230.db2.gz	RNDZTWLBQVCVKO-JTQLQIEISA-N	-1	1	249.270	0.410	10	0		BCAEMM
CCOC(=O)N1CC[C@H](c2nn[n-]n2)C1	ZINC000616610688	350806430	/nfs/dbraw/zinc/80/64/30/350806430.db2.gz	TZNODCRERXROMF-LURJTMIESA-N	-1	1	211.225	0.146	10	0		BCAEMM
COCc1[nH]c(=O)[n-]c(=O)c1Br	ZINC000159856135	351018876	/nfs/dbraw/zinc/01/88/76/351018876.db2.gz	NDEQBGYXCPTRBU-UHFFFAOYSA-N	-1	1	235.037	0.384	10	0		BCAEMM
CS(=O)(=O)N1CCCCC[C@H]1c1nn[n-]n1	ZINC000616623335	351089441	/nfs/dbraw/zinc/08/94/41/351089441.db2.gz	KMUAQCXDUYKNIS-ZETCQYMHSA-N	-1	1	245.308	0.076	10	0		BCAEMM
O=C([O-])N1CCCOC[C@H]1c1nnc[nH]1	ZINC000616646927	351164248	/nfs/dbraw/zinc/16/42/48/351164248.db2.gz	GIPJIYRAEZADLP-LURJTMIESA-N	-1	1	212.209	0.246	10	0		BCAEMM
CC(C)N1CCCOC[C@@H]1c1nnn[n-]1	ZINC000616647283	351164928	/nfs/dbraw/zinc/16/49/28/351164928.db2.gz	XCFYHCYCVACPGP-MRVPVSSYSA-N	-1	1	211.269	0.372	10	0		BCAEMM
CC(C)N1CCCOC[C@@H]1c1nn[n-]n1	ZINC000616647283	351164932	/nfs/dbraw/zinc/16/49/32/351164932.db2.gz	XCFYHCYCVACPGP-MRVPVSSYSA-N	-1	1	211.269	0.372	10	0		BCAEMM
NC(=O)N1CCNC[C@H]1c1ccc(C(=O)[O-])cc1	ZINC000616639352	351144057	/nfs/dbraw/zinc/14/40/57/351144057.db2.gz	UIQFYDFFXBUNGO-JTQLQIEISA-N	-1	1	249.270	0.410	10	0		BCAEMM
O=C([O-])N1CCOC[C@@H](c2cnc[nH]2)C1	ZINC000616661352	351209774	/nfs/dbraw/zinc/20/97/74/351209774.db2.gz	QZGDLAPBLPXWLS-ZETCQYMHSA-N	-1	1	211.221	0.504	10	0		BCAEMM
O=C([O-])C[N@H+]1CCCN(C2CSC2)CC1	ZINC000307195943	351596244	/nfs/dbraw/zinc/59/62/44/351596244.db2.gz	NMUUOMJFAQEXCW-UHFFFAOYSA-N	-1	1	230.333	0.194	10	0		BCAEMM
O=C([O-])[C@@H](O)c1cc(F)cc(O)c1F	ZINC000307346506	352102866	/nfs/dbraw/zinc/10/28/66/352102866.db2.gz	PCZWMUVDWHBPGC-ZETCQYMHSA-N	-1	1	204.128	0.788	10	0		BCAEMM
COC(=O)c1cnc(CSC)[n-]c1=O	ZINC000300839466	538111080	/nfs/dbraw/zinc/11/10/80/538111080.db2.gz	GJSHDCVGJMHERU-UHFFFAOYSA-N	-1	1	214.246	0.832	10	0		BCAEMM
COC(=O)c1cnc([C@H]2CCOC2)[n-]c1=O	ZINC000300955458	538111185	/nfs/dbraw/zinc/11/11/85/538111185.db2.gz	USEUKLINNPRCIQ-LURJTMIESA-N	-1	1	224.216	0.473	10	0		BCAEMM
C=C[C@@H](C)[C@H](NC(=O)C(F)(F)F)C(=O)[O-]	ZINC000036421131	355670729	/nfs/dbraw/zinc/67/07/29/355670729.db2.gz	SJWVXFYBDFJOFF-UHNVWZDZSA-N	-1	1	225.166	0.940	10	0		BCAEMM
Nc1nc(C[C@H]2CCCO2)[n-]c(=S)n1	ZINC000137342818	355795109	/nfs/dbraw/zinc/79/51/09/355795109.db2.gz	DXFZZDJDRVKUPW-RXMQYKEDSA-N	-1	1	212.278	0.464	10	0		BCAEMM
CSC[C@@H]1NCCCn2c(C(=O)[O-])nnc21	ZINC000675068771	538496855	/nfs/dbraw/zinc/49/68/55/538496855.db2.gz	SPRKSIBNVPMCRA-LURJTMIESA-N	-1	1	242.304	0.374	10	0		BCAEMM
N[N-]S(=O)(=O)c1cccc(Cl)c1F	ZINC000035431095	357241265	/nfs/dbraw/zinc/24/12/65/357241265.db2.gz	FWUUNYHKDYKZBQ-UHFFFAOYSA-N	-1	1	224.644	0.631	10	0		BCAEMM
CCOC(=O)c1n[n-]nc1-c1cc(C)on1	ZINC000260917676	538853615	/nfs/dbraw/zinc/85/36/15/538853615.db2.gz	FQHNLMBXWOXUQY-UHFFFAOYSA-N	-1	1	222.204	0.945	10	0		BCAEMM
Cc1cc(-c2nc(N)[n-]c(=S)n2)no1	ZINC000137344884	538872204	/nfs/dbraw/zinc/87/22/04/538872204.db2.gz	TVBFNGTXSRUQHP-UHFFFAOYSA-N	-1	1	209.234	0.706	10	0		BCAEMM
[NH3+]C[C@H](NCc1ccccc1)P(=O)([O-])[O-]	ZINC000584652252	358307553	/nfs/dbraw/zinc/30/75/53/358307553.db2.gz	BOHBRZMQJLMRLD-SECBINFHSA-N	-1	1	230.204	0.239	10	0		BCAEMM
C[C@H](C(=O)[O-])C(=O)N1CCN2CCCC[C@@H]2C1	ZINC000229339561	358402403	/nfs/dbraw/zinc/40/24/03/358402403.db2.gz	WUNDFNBAXHIHOH-VHSXEESVSA-N	-1	1	240.303	0.404	10	0		BCAEMM
O[C@@H]1CCCC[C@H]1Sc1nnn[n-]1	ZINC000306186066	359001479	/nfs/dbraw/zinc/00/14/79/359001479.db2.gz	JCEBGSRTDOGOOI-PHDIDXHHSA-N	-1	1	200.267	0.595	10	0		BCAEMM
O[C@@H]1CCCC[C@H]1Sc1nn[n-]n1	ZINC000306186066	359001483	/nfs/dbraw/zinc/00/14/83/359001483.db2.gz	JCEBGSRTDOGOOI-PHDIDXHHSA-N	-1	1	200.267	0.595	10	0		BCAEMM
O=C([O-])[C@@H]1C[C@H](O)CN1Cc1cccs1	ZINC000228180521	359332344	/nfs/dbraw/zinc/33/23/44/359332344.db2.gz	ITUKCFHMMOHFIW-CBAPKCEASA-N	-1	1	227.285	0.768	10	0		BCAEMM
O=S(=O)(CC(F)(F)F)c1cn[n-]n1	ZINC000306470403	360087882	/nfs/dbraw/zinc/08/78/82/360087882.db2.gz	QMRCKPCEZWLWHL-UHFFFAOYSA-N	-1	1	215.156	0.141	10	0		BCAEMM
NC(=O)N1C[C@H](c2nn[n-]n2)Nc2ccccc21	ZINC000616691554	369113218	/nfs/dbraw/zinc/11/32/18/369113218.db2.gz	LMDJRFZENPFBGL-SSDOTTSWSA-N	-1	1	245.246	0.252	10	0		BCAEMM
C[C@@H]1O[C@H](C(F)(F)F)CN[C@@H]1C(=O)[O-]	ZINC000227696214	371921593	/nfs/dbraw/zinc/92/15/93/371921593.db2.gz	HTZNQTFJBBEYIT-YUPRTTJUSA-N	-1	1	213.155	0.379	10	0		BCAEMM
CN1CCC[C@]2(C1)N[C@H](C(=O)[O-])CCS2	ZINC000134329632	372196447	/nfs/dbraw/zinc/19/64/47/372196447.db2.gz	ZFFQGQNIOATYDX-WPRPVWTQSA-N	-1	1	230.333	0.588	10	0		BCAEMM
O=C(NCCO)c1ccc([O-])cc1Cl	ZINC000034133840	182193049	/nfs/dbraw/zinc/19/30/49/182193049.db2.gz	IGPAITZZDCRZSM-UHFFFAOYSA-N	-1	1	215.636	0.768	10	0		BCAEMM
Cn1cc(Cn2c(N)n[n-]c2=S)cn1	ZINC000070883239	374224651	/nfs/dbraw/zinc/22/46/51/374224651.db2.gz	XZBWFWFANPWNRJ-UHFFFAOYSA-N	-1	1	210.266	0.305	10	0		BCAEMM
O=C(N[C@@H]1CCC[C@H](O)C1)c1cncc([O-])c1	ZINC000104424048	182298624	/nfs/dbraw/zinc/29/86/24/182298624.db2.gz	MEZZNGKLWLDVJW-ZJUUUORDSA-N	-1	1	236.271	0.821	10	0		BCAEMM
O=C([O-])CCNCC(=O)c1cccnc1	ZINC000005770173	182446663	/nfs/dbraw/zinc/44/66/63/182446663.db2.gz	NKLDHGQTRVXIDG-UHFFFAOYSA-N	-1	1	208.217	0.329	10	0		BCAEMM
CCCN1CCN(C(=O)/C=C\C(=O)[O-])CC1	ZINC000096879057	169202008	/nfs/dbraw/zinc/20/20/08/169202008.db2.gz	DQCPGFQRSITIKX-ARJAWSKDSA-N	-1	1	226.276	0.181	10	0		BCAEMM
CCC[C@@H](C)NC(=O)CN[C@H](C(=O)[O-])C1CC1	ZINC000054523629	169367768	/nfs/dbraw/zinc/36/77/68/169367768.db2.gz	FFCASCNSGJRPMZ-KCJUWKMLSA-N	-1	1	242.319	0.744	10	0		BCAEMM
NNc1nc(CSc2ccccn2)cc(=O)[n-]1	ZINC000072417242	384134757	/nfs/dbraw/zinc/13/47/57/384134757.db2.gz	KFTOEEPCRVKGCX-UHFFFAOYSA-N	-1	1	249.299	0.743	10	0		BCAEMM
CCC1([C@H](C)C[C@H](C)O)C(=O)[N-]C(=O)NC1=O	ZINC000005819453	384132226	/nfs/dbraw/zinc/13/22/26/384132226.db2.gz	XYOPMDJVSWQZTM-RQJHMYQMSA-N	-1	1	242.275	0.156	10	0		BCAEMM
C[C@H]1OCC[C@@H]1NC(=O)c1cncc([O-])c1	ZINC000134566346	384367038	/nfs/dbraw/zinc/36/70/38/384367038.db2.gz	JHQNDTSJHZTYQL-XCBNKYQSSA-N	-1	1	222.244	0.694	10	0		BCAEMM
CC(C)CSCc1nc(=O)n(C)[n-]1	ZINC000336665451	385062315	/nfs/dbraw/zinc/06/23/15/385062315.db2.gz	XYMCHSYCMOJJGI-UHFFFAOYSA-N	-1	1	201.295	0.998	10	0		BCAEMM
C[C@@H]1NC(=O)CC[C@H]1NC(=O)c1ncccc1[O-]	ZINC000282237250	385536166	/nfs/dbraw/zinc/53/61/66/385536166.db2.gz	ROQCTILJDJUMMR-JGVFFNPUSA-N	-1	1	249.270	0.184	10	0		BCAEMM
Cc1[nH]n(-c2ccncc2)c(=O)c1CC(=O)[O-]	ZINC000536952586	387165894	/nfs/dbraw/zinc/16/58/94/387165894.db2.gz	CVUVCCBOHNIUKN-UHFFFAOYSA-N	-1	1	233.227	0.496	10	0		BCAEMM
O=C1[N-]C(=S)NC1=Cc1ccccn1	ZINC000100438085	387270114	/nfs/dbraw/zinc/27/01/14/387270114.db2.gz	DRMFCOHNVXPTHL-ALCCZGGFSA-N	-1	1	205.242	0.427	10	0		BCAEMM
NC(=O)c1c([O-])cc(O)cc1Br	ZINC000575685277	387370919	/nfs/dbraw/zinc/37/09/19/387370919.db2.gz	DHMCWKNTWOEJGC-UHFFFAOYSA-N	-1	1	232.033	0.959	10	0		BCAEMM
NS(=O)(=O)c1c(O)c(F)ccc1[S-]	ZINC000575705771	387410444	/nfs/dbraw/zinc/41/04/44/387410444.db2.gz	NDQWDXTUKONFIV-UHFFFAOYSA-N	-1	1	223.250	0.467	10	0		BCAEMM
CCOc1cc(C(N)=O)c([O-])cc1C#N	ZINC000575643124	387866055	/nfs/dbraw/zinc/86/60/55/387866055.db2.gz	COXUYWYWFDHNTK-UHFFFAOYSA-N	-1	1	206.201	0.761	10	0		BCAEMM
O=C([O-])c1c[nH]n(Cc2ccccc2)c1=O	ZINC000133062824	388377289	/nfs/dbraw/zinc/37/72/89/388377289.db2.gz	NVPINFORLVBKFR-VIFPVBQESA-N	-1	1	218.212	0.715	10	0		BCAEMM
O=C([O-])C1=CC[C@@H](NC(=O)C(F)(F)F)C1	ZINC000575460912	388806858	/nfs/dbraw/zinc/80/68/58/388806858.db2.gz	KOTOSMLZQOZRBC-RXMQYKEDSA-N	-1	1	223.150	0.838	10	0		BCAEMM
Cc1ccc([C@H](C)NCc2nc(=O)[n-][nH]2)o1	ZINC000273225436	389039576	/nfs/dbraw/zinc/03/95/76/389039576.db2.gz	BQYOKAVASLIDOI-ZETCQYMHSA-N	-1	1	222.248	0.850	10	0		BCAEMM
CC1CCN(c2nc(N)c(C=O)c(=O)[n-]2)CC1	ZINC000072416225	132397198	/nfs/dbraw/zinc/39/71/98/132397198.db2.gz	KPWMWUVGLPLDPU-UHFFFAOYSA-N	-1	1	236.275	0.401	10	0		BCAEMM
O=C([O-])[C@@H]1CC[C@H](CN2CCSCC2)O1	ZINC000051395219	398048493	/nfs/dbraw/zinc/04/84/93/398048493.db2.gz	JAKRTQFDXAWJNP-BDAKNGLRSA-N	-1	1	231.317	0.667	10	0		BCAEMM
COCCN(CC(=O)[O-])[C@H](C)COC	ZINC000042608347	174286082	/nfs/dbraw/zinc/28/60/82/174286082.db2.gz	OXMRLXDDXLAQDE-MRVPVSSYSA-N	-1	1	205.254	0.054	10	0		BCAEMM
CC(C)Oc1ccc([O-])c(S(N)(=O)=O)c1	ZINC000095710733	167297660	/nfs/dbraw/zinc/29/76/60/167297660.db2.gz	ZPWYGNJMZGMIKV-UHFFFAOYSA-N	-1	1	231.273	0.827	10	0		BCAEMM
O=C([O-])[C@H](O)c1cc(F)c(O)cc1F	ZINC000238719157	411318539	/nfs/dbraw/zinc/31/85/39/411318539.db2.gz	DYHIYVNGTJVTOD-SSDOTTSWSA-N	-1	1	204.128	0.788	10	0		BCAEMM
CCOC(=O)c1n[n-]c(=S)n(C)c1=O	ZINC000104380166	170305830	/nfs/dbraw/zinc/30/58/30/170305830.db2.gz	BIKFVUAENYNAFT-UHFFFAOYSA-N	-1	1	215.234	0.015	10	0		BCAEMM
CCOC(=O)c1nnc(-c2ccccn2)[n-]c1=O	ZINC000027556678	170309964	/nfs/dbraw/zinc/30/99/64/170309964.db2.gz	NDKNJYTZXPCJNH-UHFFFAOYSA-N	-1	1	246.226	0.816	10	0		BCAEMM
O=C1[N-]C(=O)C(=CNc2nc[nH]n2)S1	ZINC000618255147	411676249	/nfs/dbraw/zinc/67/62/49/411676249.db2.gz	PHCLXNAXONGLCV-IWQZZHSRSA-N	-1	1	211.206	0.041	10	0		BCAEMM
CN1C(=O)NC(=O)C(=C([O-])c2ccccc2)C1=O	ZINC000103238338	172970194	/nfs/dbraw/zinc/97/01/94/172970194.db2.gz	WXFOCSQVQRJWKG-QMMMGPOBSA-N	-1	1	246.222	0.194	10	0		BCAEMM
CN1CCN(Cc2ccoc2C(=O)[O-])CC1	ZINC000036926556	173089766	/nfs/dbraw/zinc/08/97/66/173089766.db2.gz	SYOAXOPTZKYWLM-UHFFFAOYSA-N	-1	1	224.260	0.725	10	0		BCAEMM
CNC(=O)c1c([O-])cccc1C(=O)N(C)C	ZINC000095712048	173309239	/nfs/dbraw/zinc/30/92/39/173309239.db2.gz	KNZZJWYTSATOKX-UHFFFAOYSA-N	-1	1	222.244	0.454	10	0		BCAEMM
CNC(=O)c1cn(-c2ccc(=S)[n-]n2)cn1	ZINC000073667070	173313055	/nfs/dbraw/zinc/31/30/55/173313055.db2.gz	BZJNJVSYMUBTSL-UHFFFAOYSA-N	-1	1	235.272	0.311	10	0		BCAEMM
C[C@H](NCC(=O)N1C[C@H](C)C[C@H](C)C1)C(=O)[O-]	ZINC000035388394	177310177	/nfs/dbraw/zinc/31/01/77/177310177.db2.gz	PNIWOZXMSXZNMR-AEJSXWLSSA-N	-1	1	242.319	0.554	10	0		BCAEMM
Cc1c(NC(=O)CN)cccc1C(=O)[O-]	ZINC000037001999	177616965	/nfs/dbraw/zinc/61/69/65/177616965.db2.gz	HXCBBODMFPASKX-UHFFFAOYSA-N	-1	1	208.217	0.590	10	0		BCAEMM
CCCC[C@@H](NC(=O)c1nnc[nH]1)C(=O)[O-]	ZINC000082504691	487649668	/nfs/dbraw/zinc/64/96/68/487649668.db2.gz	YZYDUFIWTPYXQB-ZCFIWIBFSA-N	-1	1	226.236	0.178	10	0		BCAEMM
CCCC[C@@H](NC(=O)c1nc[nH]n1)C(=O)[O-]	ZINC000082504691	487649670	/nfs/dbraw/zinc/64/96/70/487649670.db2.gz	YZYDUFIWTPYXQB-ZCFIWIBFSA-N	-1	1	226.236	0.178	10	0		BCAEMM
COCCc1cc(=O)[n-]c(SC)n1	ZINC000033359346	487664958	/nfs/dbraw/zinc/66/49/58/487664958.db2.gz	PNCNBMKRSUMJOV-UHFFFAOYSA-N	-1	1	200.263	0.681	10	0		BCAEMM
O=C(c1ncccc1[O-])N1CCn2ccnc2C1	ZINC000062320373	488066337	/nfs/dbraw/zinc/06/63/37/488066337.db2.gz	UOFKAXGOMPJYHR-UHFFFAOYSA-N	-1	1	244.254	0.640	10	0		BCAEMM
CC1(C)CN[C@@H](C(=O)[O-])O[C@]12CCOC2	ZINC000757139809	582520569	/nfs/dbraw/zinc/52/05/69/582520569.db2.gz	HMEJYVXSHXWOCN-XCBNKYQSSA-N	-1	1	215.249	0.202	10	0		BCAEMM
COC(=O)c1cnc(N2CCCC2)[n-]c1=O	ZINC000026444163	537886178	/nfs/dbraw/zinc/88/61/78/537886178.db2.gz	UBOABZFCDQYVSF-UHFFFAOYSA-N	-1	1	223.232	0.157	10	0		BCAEMM
CN(C)CC(=O)N[C@@H]1C[C@@H]2C[C@@H](C(=O)[O-])C[C@H]12	ZINC000725263389	566308573	/nfs/dbraw/zinc/30/85/73/566308573.db2.gz	XRTBISMGDSCUAW-QCLAVDOMSA-N	-1	1	240.303	0.164	10	0		BCAEMM
O=C([O-])[C@@H]1NCC2(CC2)C2(CCOCC2)O1	ZINC000757145334	582527424	/nfs/dbraw/zinc/52/74/24/582527424.db2.gz	OONRTUSOULHQIU-MRVPVSSYSA-N	-1	1	227.260	0.346	10	0		BCAEMM
O=C([O-])c1c2n(nc1C(F)(F)F)CCNC2	ZINC000757172302	582551510	/nfs/dbraw/zinc/55/15/10/582551510.db2.gz	KMAFRJRHCHIJKQ-UHFFFAOYSA-N	-1	1	235.165	0.703	10	0		BCAEMM
C=CCc1c([O-])n2nc(C)cc2[nH]c1=O	ZINC000386662349	582837405	/nfs/dbraw/zinc/83/74/05/582837405.db2.gz	MTKPEINVOYRAIL-SSDOTTSWSA-N	-1	1	205.217	0.976	10	0		BCAEMM
O=C(C1=CCCCO1)N1CCC[C@H]1c1nn[n-]n1	ZINC000900395325	584301700	/nfs/dbraw/zinc/30/17/00/584301700.db2.gz	XUVIXDBGSHIQCZ-QMMMGPOBSA-N	-1	1	249.274	0.558	10	0		BCAEMM
CCOC(=O)c1nn[n-]c1-c1cc(C)no1	ZINC000261015723	585024568	/nfs/dbraw/zinc/02/45/68/585024568.db2.gz	YTWWRDDWAAGCFM-UHFFFAOYSA-N	-1	1	222.204	0.945	10	0		BCAEMM
CCOC(=O)c1[n-]nnc1-c1cc(C)no1	ZINC000261015723	585024569	/nfs/dbraw/zinc/02/45/69/585024569.db2.gz	YTWWRDDWAAGCFM-UHFFFAOYSA-N	-1	1	222.204	0.945	10	0		BCAEMM
CCOC(=O)c1n[n-]nc1-c1cc(C)no1	ZINC000261015723	585024570	/nfs/dbraw/zinc/02/45/70/585024570.db2.gz	YTWWRDDWAAGCFM-UHFFFAOYSA-N	-1	1	222.204	0.945	10	0		BCAEMM
NC1(c2noc(CCC(=O)[O-])n2)CCOCC1	ZINC000757182042	586433463	/nfs/dbraw/zinc/43/34/63/586433463.db2.gz	FGEZWXQSWAKSKD-UHFFFAOYSA-N	-1	1	241.247	0.051	10	0		BCAEMM
CCOCCC(=O)N1CCC[C@H]1c1nn[n-]n1	ZINC000095281806	635443202	/nfs/dbraw/zinc/44/32/02/635443202.db2.gz	AGAMEUYREMPBQI-QMMMGPOBSA-N	-1	1	239.279	0.290	10	0		BCAEMM
CN(C)S(=O)(=O)[N-]c1n[nH]c2ccccc21	ZINC000054433122	636671268	/nfs/dbraw/zinc/67/12/68/636671268.db2.gz	QLEUUOOCWNFDCP-UHFFFAOYSA-N	-1	1	240.288	0.781	10	0		BCAEMM
CC(C)C(=O)N1CCC[C@H]1c1nn[n-]n1	ZINC000095197575	641598481	/nfs/dbraw/zinc/59/84/81/641598481.db2.gz	MGXPLTSJISSRNK-ZETCQYMHSA-N	-1	1	209.253	0.519	10	0		BCAEMM
CCC[C@H](NCC(=O)N(C)CC1CC1)C(=O)[O-]	ZINC000185061638	643262071	/nfs/dbraw/zinc/26/20/71/643262071.db2.gz	UQFFIDSURQHCEG-JTQLQIEISA-N	-1	1	242.319	0.698	10	0		BCAEMM
O=C([N-][C@@H]1CCC[C@@H](O)C1)C(F)(F)F	ZINC000081562143	644331165	/nfs/dbraw/zinc/33/11/65/644331165.db2.gz	TWEGKXNUWFWBBT-PHDIDXHHSA-N	-1	1	211.183	0.968	10	0		BCAEMM
O=C([N-]OC1CCCC1)[C@H]1CNC(=O)C1	ZINC000135133051	645877299	/nfs/dbraw/zinc/87/72/99/645877299.db2.gz	RWIXAJVUCOJDJL-SSDOTTSWSA-N	-1	1	212.249	0.113	10	0		BCAEMM
COC[C@@H](C)C(=O)[N-]OCCSC	ZINC000379401998	712382499	/nfs/dbraw/zinc/38/24/99/712382499.db2.gz	MAEHZGVESKNFFI-SSDOTTSWSA-N	-1	1	207.295	0.680	10	0		BCAEMM
CCCOCC(=O)N1CCC[C@H]1c1nn[n-]n1	ZINC000720629419	712860047	/nfs/dbraw/zinc/86/00/47/712860047.db2.gz	TZMIOROISLISIN-QMMMGPOBSA-N	-1	1	239.279	0.290	10	0		BCAEMM
COCCCC(=O)N1CCC[C@H]1c1nn[n-]n1	ZINC000720653515	712861223	/nfs/dbraw/zinc/86/12/23/712861223.db2.gz	GKJZDBUMFFJZCH-QMMMGPOBSA-N	-1	1	239.279	0.290	10	0		BCAEMM
C[C@@H]([N-]S(=O)(=O)c1ccns1)[C@H](C)O	ZINC000717784720	712676216	/nfs/dbraw/zinc/67/62/16/712676216.db2.gz	AVMYVWKXGQKARC-RITPCOANSA-N	-1	1	236.318	0.191	10	0		BCAEMM
C[C@H](NC(=O)c1cncc([O-])c1)c1cn(C)nn1	ZINC000720603195	712857375	/nfs/dbraw/zinc/85/73/75/712857375.db2.gz	PKHXMDRTVUBGQC-ZETCQYMHSA-N	-1	1	247.258	0.407	10	0		BCAEMM
CC(C)=CC(=O)N1CCC[C@@H]1c1nn[n-]n1	ZINC000720637755	712860207	/nfs/dbraw/zinc/86/02/07/712860207.db2.gz	DYZALWANDIPFCO-MRVPVSSYSA-N	-1	1	221.264	0.829	10	0		BCAEMM
O=C(C1CC=CC1)N1CCC[C@@H]1c1nn[n-]n1	ZINC000720653826	712860921	/nfs/dbraw/zinc/86/09/21/712860921.db2.gz	MLAYZWLYXCUVTP-SECBINFHSA-N	-1	1	233.275	0.829	10	0		BCAEMM
CC1(C)C[C@@H]1C(=O)N1CCC[C@H]1c1nn[n-]n1	ZINC000720653238	712861091	/nfs/dbraw/zinc/86/10/91/712861091.db2.gz	DHAVGAYDWTUHFC-SFYZADRCSA-N	-1	1	235.291	0.909	10	0		BCAEMM
COC(=O)c1n[n-]nc1-c1csnn1	ZINC000685954490	538899243	/nfs/dbraw/zinc/89/92/43/538899243.db2.gz	SRROUVBBCBEXHK-UHFFFAOYSA-N	-1	1	211.206	0.110	10	0		BCAEMM
CCOC(=O)N1CCCOC[C@@H]1c1nn[n-]n1	ZINC000616648373	398221905	/nfs/dbraw/zinc/22/19/05/398221905.db2.gz	UIPKLGZHTDDPGC-SSDOTTSWSA-N	-1	1	241.251	0.120	10	0		BCAEMM
Cc1cc(N[C@H](C)c2nn[n-]n2)nc(C)n1	ZINC000044931417	178186719	/nfs/dbraw/zinc/18/67/19/178186719.db2.gz	OCFSMMNDIYKMGW-ZCFIWIBFSA-N	-1	1	219.252	0.780	10	0		BCAEMM
Cn1ccnc1Cn1c(N)n[n-]c1=S	ZINC000070882297	361850533	/nfs/dbraw/zinc/85/05/33/361850533.db2.gz	XHLJFOGIPZAABI-UHFFFAOYSA-N	-1	1	210.266	0.305	10	0		BCAEMM
NN=c1nnc(-c2cccc([N+](=O)[O-])c2)c[n-]1	ZINC000216293221	342800813	/nfs/dbraw/zinc/80/08/13/342800813.db2.gz	VAPHCHCBOYSDPH-UHFFFAOYSA-N	-1	1	232.203	0.732	10	0		BCAEMM
C[C@H](CN1CCN(CC(F)F)CC1)C(=O)[O-]	ZINC000575441653	398328347	/nfs/dbraw/zinc/32/83/47/398328347.db2.gz	XRUBAMOCXNATTM-MRVPVSSYSA-N	-1	1	236.262	0.590	10	0		BCAEMM
CC(C)CC(=O)N[C@H]1CCC[N@@H+](CC(=O)[O-])C1	ZINC000584883842	343087073	/nfs/dbraw/zinc/08/70/73/343087073.db2.gz	QEEFXMJXJCRROZ-JTQLQIEISA-N	-1	1	242.319	0.698	10	0		BCAEMM
COCc1cc(=O)[n-]c(-c2cnccn2)n1	ZINC000045895540	187233042	/nfs/dbraw/zinc/23/30/42/187233042.db2.gz	ZQSGYBYSNVTINE-UHFFFAOYSA-N	-1	1	218.216	0.373	10	0		BCAEMM
CC1(C)[C@@H]2c3[nH]nc(-c4nnn[n-]4)c3C[C@@H]21	ZINC000034632933	187257510	/nfs/dbraw/zinc/25/75/10/187257510.db2.gz	VSBDNNUJQGUHKD-WDSKDSINSA-N	-1	1	216.248	0.886	10	0		BCAEMM
CC1(C)[C@@H]2c3[nH]nc(-c4nn[n-]n4)c3C[C@@H]21	ZINC000034632933	187257512	/nfs/dbraw/zinc/25/75/12/187257512.db2.gz	VSBDNNUJQGUHKD-WDSKDSINSA-N	-1	1	216.248	0.886	10	0		BCAEMM
N[C@H](c1nnn[n-]1)c1ccc(F)c(F)c1	ZINC000040397059	343401942	/nfs/dbraw/zinc/40/19/42/343401942.db2.gz	ZGXDCVWQTUZRCJ-ZETCQYMHSA-N	-1	1	211.175	0.526	10	0		BCAEMM
N#Cc1cc([N+](=O)[O-])cc(C(=O)[O-])c1O	ZINC000167058669	343584095	/nfs/dbraw/zinc/58/40/95/343584095.db2.gz	ADNMLTDGXCTMNU-UHFFFAOYSA-N	-1	1	208.129	0.870	10	0		BCAEMM
CC(C)Cn1c([O-])c(F)c(=O)[nH]c1=O	ZINC000159064414	347000470	/nfs/dbraw/zinc/00/04/70/347000470.db2.gz	DWWRTIZNUQWSQJ-UHFFFAOYSA-N	-1	1	202.185	0.037	10	0		BCAEMM
COC1(Cn2c(=O)[n-][nH]c2=S)CCC1	ZINC000234885465	344436617	/nfs/dbraw/zinc/43/66/17/344436617.db2.gz	RPSMJAKTBYSVNF-UHFFFAOYSA-N	-1	1	215.278	0.429	10	0		BCAEMM
C[C@@H]1CC[C@@H](n2nnc(CN)c2C(=O)[O-])C1	ZINC000675052690	537859496	/nfs/dbraw/zinc/85/94/96/537859496.db2.gz	HSMVZFNNSGLWGH-RNFRBKRXSA-N	-1	1	224.264	0.796	10	0		BCAEMM
C[C@H]1CC[C@@H](n2nnc(CN)c2C(=O)[O-])C1	ZINC000675052687	537859730	/nfs/dbraw/zinc/85/97/30/537859730.db2.gz	HSMVZFNNSGLWGH-NKWVEPMBSA-N	-1	1	224.264	0.796	10	0		BCAEMM
O=C([O-])[C@@H]1CS[C@H]([C@@H]2CCSC2)N1	ZINC000224605250	344956113	/nfs/dbraw/zinc/95/61/13/344956113.db2.gz	AXGHVULUVHTPRB-DSYKOEDSSA-N	-1	1	219.331	0.855	10	0		BCAEMM
C/C(=C\C(=O)[O-])CN1CC[N@H+](C)C[C@@H]1C	ZINC000235573647	344947316	/nfs/dbraw/zinc/94/73/16/344947316.db2.gz	RBWCRMQKDKMAPM-ZKXNXJMVSA-N	-1	1	212.293	0.653	10	0		BCAEMM
CC(=O)N1CCCN(C/C=C/C(=O)[O-])CC1	ZINC000051859875	187298919	/nfs/dbraw/zinc/29/89/19/187298919.db2.gz	QPDWIMUVRBTVCG-DUXPYHPUSA-N	-1	1	226.276	0.181	10	0		BCAEMM
O=C([O-])[C@@H](O)c1cc(F)c(O)cc1F	ZINC000238680927	345111032	/nfs/dbraw/zinc/11/10/32/345111032.db2.gz	DYHIYVNGTJVTOD-ZETCQYMHSA-N	-1	1	204.128	0.788	10	0		BCAEMM
CC(=O)N1C[C@H](c2nn[n-]n2)Nc2ccccc21	ZINC000616692903	345558536	/nfs/dbraw/zinc/55/85/36/345558536.db2.gz	WDFQXZJPCFUXTP-SECBINFHSA-N	-1	1	244.258	0.719	10	0		BCAEMM
NC(=O)[C@@H](O)c1ccc([O-])c(Cl)c1	ZINC000050977649	345766635	/nfs/dbraw/zinc/76/66/35/345766635.db2.gz	ZEXAPUFGOPVZDN-ZETCQYMHSA-N	-1	1	201.609	0.564	10	0		BCAEMM
NC(=O)[C@H](O)c1ccc([O-])c(Cl)c1	ZINC000050977652	345767923	/nfs/dbraw/zinc/76/79/23/345767923.db2.gz	ZEXAPUFGOPVZDN-SSDOTTSWSA-N	-1	1	201.609	0.564	10	0		BCAEMM
Cc1cccc(CC(=O)N[C@@H](C)c2nn[n-]n2)c1	ZINC000052136747	179052732	/nfs/dbraw/zinc/05/27/32/179052732.db2.gz	GNRYTFLLHDWPSX-VIFPVBQESA-N	-1	1	245.286	0.928	10	0		BCAEMM
Cc1cccc(CC(=O)N[C@H](C)c2nn[n-]n2)c1	ZINC000052136749	179053321	/nfs/dbraw/zinc/05/33/21/179053321.db2.gz	GNRYTFLLHDWPSX-SECBINFHSA-N	-1	1	245.286	0.928	10	0		BCAEMM
Cc1cccc2n[nH+]c(C(=O)[O-])c([O-])c12	ZINC000098180332	179208562	/nfs/dbraw/zinc/20/85/62/179208562.db2.gz	ZTCFFNHWWQQUKB-UHFFFAOYSA-N	-1	1	204.185	0.930	10	0		BCAEMM
CNC(=O)[C@@H](C)N1CCC[C@]1(C)C(=O)[O-]	ZINC000251022079	362833594	/nfs/dbraw/zinc/83/35/94/362833594.db2.gz	DRTDTYGVENZFEQ-GMSGAONNSA-N	-1	1	214.265	0.060	10	0		BCAEMM
CC(=O)N1C[C@@H](c2nn[n-]n2)Nc2ccccc21	ZINC000616585168	349362147	/nfs/dbraw/zinc/36/21/47/349362147.db2.gz	WDFQXZJPCFUXTP-VIFPVBQESA-N	-1	1	244.258	0.719	10	0		BCAEMM
CO[C@H](C)C(=O)C1=C([O-])CC(C)CC1=O	ZINC000725257713	538068114	/nfs/dbraw/zinc/06/81/14/538068114.db2.gz	WKXSZQISYDYIOP-PRZNWYJVSA-N	-1	1	212.245	0.775	10	0		BCAEMM
COCCCNCC(F)(F)CC(=O)[O-]	ZINC000725260480	538082397	/nfs/dbraw/zinc/08/23/97/538082397.db2.gz	UIBPYCQXVBEOJP-UHFFFAOYSA-N	-1	1	211.208	0.723	10	0		BCAEMM
CCOC(=O)N1CCCO[C@H](c2nn[n-]n2)C1	ZINC000616650675	351184435	/nfs/dbraw/zinc/18/44/35/351184435.db2.gz	GURNAPRDXCWJAF-ZETCQYMHSA-N	-1	1	241.251	0.120	10	0		BCAEMM
NC(=O)N1CCNC[C@@H]1c1ccccc1C(=O)[O-]	ZINC000616639573	351143994	/nfs/dbraw/zinc/14/39/94/351143994.db2.gz	RNDZTWLBQVCVKO-SNVBAGLBSA-N	-1	1	249.270	0.410	10	0		BCAEMM
CC(C)[N@H+]1CCOCC[C@H]1c1nnn[n-]1	ZINC000616657240	351197895	/nfs/dbraw/zinc/19/78/95/351197895.db2.gz	TTXUNDODKSXEJU-QMMMGPOBSA-N	-1	1	211.269	0.372	10	0		BCAEMM
CC(C)N1CCOCC[C@H]1c1nn[n-]n1	ZINC000616657240	351197900	/nfs/dbraw/zinc/19/79/00/351197900.db2.gz	TTXUNDODKSXEJU-QMMMGPOBSA-N	-1	1	211.269	0.372	10	0		BCAEMM
O=C([O-])N1CCOCC[C@@H]1c1c[nH]nn1	ZINC000616657493	351198977	/nfs/dbraw/zinc/19/89/77/351198977.db2.gz	AWKKJZXGVHBZIF-SSDOTTSWSA-N	-1	1	212.209	0.246	10	0		BCAEMM
Cc1ccc([O-])c(N=[S@](C)(N)=O)n1	ZINC000404728096	351949270	/nfs/dbraw/zinc/94/92/70/351949270.db2.gz	SKYASABUEBXEIS-ZDUSSCGKSA-N	-1	1	201.251	0.699	10	0		BCAEMM
O=C(OCCO)c1ccc([O-])c(F)c1	ZINC000019881162	187658921	/nfs/dbraw/zinc/65/89/21/187658921.db2.gz	HDUNHUQYWTZEBW-UHFFFAOYSA-N	-1	1	200.165	0.680	10	0		BCAEMM
O=c1ccnc(S[C@H]2COC[C@H]2O)[n-]1	ZINC000307371933	352470491	/nfs/dbraw/zinc/47/04/91/352470491.db2.gz	QMXMDKFPVANHPW-RITPCOANSA-N	-1	1	214.246	0.034	10	0		BCAEMM
CN(C)C1CN(c2nc(C(=O)[O-])co2)C1	ZINC000306586871	353027784	/nfs/dbraw/zinc/02/77/84/353027784.db2.gz	UKMVHKGTXYVWMV-UHFFFAOYSA-N	-1	1	211.221	0.123	10	0		BCAEMM
CC(C)[N-]S(=O)(=O)c1ncccc1F	ZINC000232665104	353156152	/nfs/dbraw/zinc/15/61/52/353156152.db2.gz	NNLXTFAWVOJKJD-UHFFFAOYSA-N	-1	1	218.253	0.907	10	0		BCAEMM
CNS(=O)(=O)[N-]c1ccnc(Cl)n1	ZINC000161158624	363207817	/nfs/dbraw/zinc/20/78/17/363207817.db2.gz	FSEKASAYZYRVPL-UHFFFAOYSA-N	-1	1	222.657	0.006	10	0		BCAEMM
CC(=O)C(C(C)=O)=C([O-])c1nccn1C	ZINC000122006211	538110342	/nfs/dbraw/zinc/11/03/42/538110342.db2.gz	ZUUMQGIODWCMSF-UHFFFAOYSA-N	-1	1	208.217	0.397	10	0		BCAEMM
CCc1c[nH]nc1[N-]S(=O)(=O)N(C)C	ZINC000129374489	353318553	/nfs/dbraw/zinc/31/85/53/353318553.db2.gz	LHUIJEIIYOJFMF-UHFFFAOYSA-N	-1	1	218.282	0.190	10	0		BCAEMM
CC(C)N1CCN(C(=O)CCC(=O)[O-])CC1	ZINC000002456665	188335745	/nfs/dbraw/zinc/33/57/45/188335745.db2.gz	OSNRPHMQLMOFCW-UHFFFAOYSA-N	-1	1	228.292	0.404	10	0		BCAEMM
O=C(Nc1c([O-])cccc1F)[C@H]1CNC(=O)C1	ZINC000608365512	355379192	/nfs/dbraw/zinc/37/91/92/355379192.db2.gz	LJEFSLFCLZUGAG-ZCFIWIBFSA-N	-1	1	238.218	0.606	10	0		BCAEMM
Nc1nc(=S)[n-]c([C@H]2CCSC2)n1	ZINC000137332313	355773285	/nfs/dbraw/zinc/77/32/85/355773285.db2.gz	ANVRRMWEIDWWRU-BYPYZUCNSA-N	-1	1	214.319	0.963	10	0		BCAEMM
Nc1nc(C[C@@H]2CCCO2)[n-]c(=S)n1	ZINC000137342886	355794609	/nfs/dbraw/zinc/79/46/09/355794609.db2.gz	DXFZZDJDRVKUPW-YFKPBYRVSA-N	-1	1	212.278	0.464	10	0		BCAEMM
NC(=O)[C@H]1CCCN1Cc1ccc(C(=O)[O-])cc1	ZINC000021043988	181281918	/nfs/dbraw/zinc/28/19/18/181281918.db2.gz	SLQMCBPDRUQFQB-LLVKDONJSA-N	-1	1	248.282	0.835	10	0		BCAEMM
N[C@H](CO)c1nc2cc(C(=O)[O-])ccc2[nH]1	ZINC000675056021	538476788	/nfs/dbraw/zinc/47/67/88/538476788.db2.gz	IFJARKNYIUVBRB-ZCFIWIBFSA-N	-1	1	221.216	0.253	10	0		BCAEMM
CCOC(=O)c1cnc(CC2CC2)[n-]c1=O	ZINC000087583364	538568456	/nfs/dbraw/zinc/56/84/56/538568456.db2.gz	UKSFKXCUSVUDAS-UHFFFAOYSA-N	-1	1	222.244	0.899	10	0		BCAEMM
CCOCCC(=O)C(C(C)=O)=C(C)[O-]	ZINC000087196386	538565262	/nfs/dbraw/zinc/56/52/62/538565262.db2.gz	IJQFJOPPSGLRFT-UHFFFAOYSA-N	-1	1	200.234	0.776	10	0		BCAEMM
Nn1c(Cc2ccncc2)n[n-]c1=S	ZINC000026513754	357164941	/nfs/dbraw/zinc/16/49/41/357164941.db2.gz	PSJYBEMNPZYPLD-UHFFFAOYSA-N	-1	1	207.262	0.640	10	0		BCAEMM
C[N-]S(=O)(=O)c1cnc(Cl)s1	ZINC000035356355	357194913	/nfs/dbraw/zinc/19/49/13/357194913.db2.gz	CNDGGMFVOBWIJN-UHFFFAOYSA-N	-1	1	212.683	0.705	10	0		BCAEMM
O=[P@]([O-])(O)[C@@H]1COC[C@H](c2ccccc2)N1	ZINC000584608972	358269982	/nfs/dbraw/zinc/26/99/82/358269982.db2.gz	MHKXIWCUDTTWJH-NXEZZACHSA-N	-1	1	243.199	0.851	10	0		BCAEMM
C[C@H]1CCC[C@@H]1C(=O)NCc1nn[n-]n1	ZINC000230172154	491127906	/nfs/dbraw/zinc/12/79/06/491127906.db2.gz	QGDYALVDDHGTIL-BQBZGAKWSA-N	-1	1	209.253	0.252	10	0		BCAEMM
C[C@@H](C(=O)[O-])C(=O)N1CCN2CCCC[C@@H]2C1	ZINC000229339552	358402329	/nfs/dbraw/zinc/40/23/29/358402329.db2.gz	WUNDFNBAXHIHOH-NXEZZACHSA-N	-1	1	240.303	0.404	10	0		BCAEMM
O=C([O-])[C@H]1CS[C@H]([C@H]2CCSC2)N1	ZINC000300336617	358962433	/nfs/dbraw/zinc/96/24/33/358962433.db2.gz	AXGHVULUVHTPRB-RRKCRQDMSA-N	-1	1	219.331	0.855	10	0		BCAEMM
O=C([O-])[C@H]1CS[C@@H]([C@H]2CCOC2)N1	ZINC000300338639	358963942	/nfs/dbraw/zinc/96/39/42/358963942.db2.gz	JNDVBUWGWNJCBW-XVMARJQXSA-N	-1	1	203.263	0.139	10	0		BCAEMM
C[C@@H]1SCC[C@@H]1n1c(=O)[n-][nH]c1=S	ZINC000306545550	360414174	/nfs/dbraw/zinc/41/41/74/360414174.db2.gz	CNQGMLZRQBHTAX-WHFBIAKZSA-N	-1	1	217.319	0.927	10	0		BCAEMM
C[C@@H](C(N)=O)N1CCCC[C@]1(C)C(=O)[O-]	ZINC000252810210	368158816	/nfs/dbraw/zinc/15/88/16/368158816.db2.gz	MVQCVKMOPGHQRU-OIBJUYFYSA-N	-1	1	214.265	0.189	10	0		BCAEMM
C[C@H](C(N)=O)N1CCCC[C@]1(C)C(=O)[O-]	ZINC000252810209	368159508	/nfs/dbraw/zinc/15/95/08/368159508.db2.gz	MVQCVKMOPGHQRU-GMSGAONNSA-N	-1	1	214.265	0.189	10	0		BCAEMM
CCC1([C@H](C)C[C@@H](C)O)C(=O)[N-]C(=O)NC1=O	ZINC000005819452	369029779	/nfs/dbraw/zinc/02/97/79/369029779.db2.gz	XYOPMDJVSWQZTM-RNFRBKRXSA-N	-1	1	242.275	0.156	10	0		BCAEMM
COC(=O)c1c[n-]c(=NN(C)C)s1	ZINC000215164646	369119080	/nfs/dbraw/zinc/11/90/80/369119080.db2.gz	ZHFKXUXQDXHMIT-UHFFFAOYSA-N	-1	1	201.251	0.818	10	0		BCAEMM
N[C@@H](C(=O)[O-])c1ncccc1Br	ZINC000083329074	181537884	/nfs/dbraw/zinc/53/78/84/181537884.db2.gz	CBGOEOSCFMLYLV-RXMQYKEDSA-N	-1	1	231.049	0.929	10	0		BCAEMM
O=C(NCC(F)F)c1ccncc1[O-]	ZINC000132129632	371755939	/nfs/dbraw/zinc/75/59/39/371755939.db2.gz	SHOMXJVGJXPOKW-UHFFFAOYSA-N	-1	1	202.160	0.782	10	0		BCAEMM
Nc1nc(-c2ccnnc2)nc(=S)[n-]1	ZINC000132694443	371898884	/nfs/dbraw/zinc/89/88/84/371898884.db2.gz	ROFGIKDCEJAVAG-UHFFFAOYSA-N	-1	1	206.234	0.200	10	0		BCAEMM
O=c1[n-]cnn1Cc1nnsc1Cl	ZINC000306801551	372068716	/nfs/dbraw/zinc/06/87/16/372068716.db2.gz	RFHYADYXDQMCAS-UHFFFAOYSA-N	-1	1	217.641	0.125	10	0		BCAEMM
O=C([O-])[C@@H]1CCCN1C(=O)CN1CCCCC1	ZINC000032025368	372136302	/nfs/dbraw/zinc/13/63/02/372136302.db2.gz	RQZMSWDXDOMAQA-JTQLQIEISA-N	-1	1	240.303	0.548	10	0		BCAEMM
Cc1cc(NCc2nn[n-]n2)nc(Cl)n1	ZINC000229295132	372137285	/nfs/dbraw/zinc/13/72/85/372137285.db2.gz	JKVHZADDNMDTRI-UHFFFAOYSA-N	-1	1	225.643	0.564	10	0		BCAEMM
CN1CCC[C@@]2(C1)N[C@H](C(=O)[O-])CCS2	ZINC000134329610	372196004	/nfs/dbraw/zinc/19/60/04/372196004.db2.gz	ZFFQGQNIOATYDX-WCBMZHEXSA-N	-1	1	230.333	0.588	10	0		BCAEMM
O=C([O-])Cc1n[nH]c(CN2CCCCCC2)n1	ZINC000039281186	372930336	/nfs/dbraw/zinc/93/03/36/372930336.db2.gz	FPNBIMKBAFVIQC-UHFFFAOYSA-N	-1	1	238.291	0.808	10	0		BCAEMM
O=C([O-])[C@@H](Cc1cnc[nH]1)NC(=O)C1CCC1	ZINC000021954893	182324471	/nfs/dbraw/zinc/32/44/71/182324471.db2.gz	ZLWBQFYXBBXYQN-SECBINFHSA-N	-1	1	237.259	0.322	10	0		BCAEMM
CCCCn1nnnc1CNCCCC(=O)[O-]	ZINC000035423250	169040497	/nfs/dbraw/zinc/04/04/97/169040497.db2.gz	TWAHDNMSOLXHNJ-UHFFFAOYSA-N	-1	1	241.295	0.428	10	0		BCAEMM
CCCN1CC[NH+](C[C@H](OCC)C(=O)[O-])CC1	ZINC000062749795	169203309	/nfs/dbraw/zinc/20/33/09/169203309.db2.gz	MPSLYORGFJLINU-NSHDSACASA-N	-1	1	244.335	0.504	10	0		BCAEMM
CCCNC(=O)CN[C@H](CCC)C(=O)[O-]	ZINC000036839301	169229573	/nfs/dbraw/zinc/22/95/73/169229573.db2.gz	VZUWHPAVBOPGEO-MRVPVSSYSA-N	-1	1	216.281	0.356	10	0		BCAEMM
CCC[C@@H](NCC(=O)N(C)CC1CC1)C(=O)[O-]	ZINC000185061656	169399685	/nfs/dbraw/zinc/39/96/85/169399685.db2.gz	UQFFIDSURQHCEG-SNVBAGLBSA-N	-1	1	242.319	0.698	10	0		BCAEMM
O=S(=O)([O-])c1c2cn[nH]c2ccc1O	ZINC000089197026	383944788	/nfs/dbraw/zinc/94/47/88/383944788.db2.gz	ROHHFOQQTWVGJM-UHFFFAOYSA-N	-1	1	214.202	0.515	10	0		BCAEMM
Brc1noc(-c2cn[n-]n2)n1	ZINC000156575700	384108241	/nfs/dbraw/zinc/10/82/41/384108241.db2.gz	YOGHNBOEPMZFHS-UHFFFAOYSA-N	-1	1	215.998	0.617	10	0		BCAEMM
CN(c1ccccc1)c1nc(N)c(C=O)c(=O)[n-]1	ZINC000072416231	384115407	/nfs/dbraw/zinc/11/54/07/384115407.db2.gz	UABKXIZGCDGVDX-UHFFFAOYSA-N	-1	1	244.254	0.933	10	0		BCAEMM
CC(C)(C)[C@H](O)CNC(=O)c1cncc([O-])c1	ZINC000133352675	384246336	/nfs/dbraw/zinc/24/63/36/384246336.db2.gz	BESAFZLDFLEWOA-SNVBAGLBSA-N	-1	1	238.287	0.924	10	0		BCAEMM
O=C([O-])C[N@H+]1CCC2(CC(C(=O)[O-])C2)C1	ZINC000095078194	384354968	/nfs/dbraw/zinc/35/49/68/384354968.db2.gz	AQROVNSERDMKCK-UHFFFAOYSA-N	-1	1	213.233	0.258	10	0		BCAEMM
O=C([O-])C1CCN(Cc2cnccn2)CC1	ZINC000095078034	384356077	/nfs/dbraw/zinc/35/60/77/384356077.db2.gz	HZBPOOYUVTXFJV-UHFFFAOYSA-N	-1	1	221.260	0.773	10	0		BCAEMM
Cc1cc(C)nc(S(=O)(=O)[N-]C2CC2)n1	ZINC000095089818	384360878	/nfs/dbraw/zinc/36/08/78/384360878.db2.gz	YUIAZEMIVBRIBH-UHFFFAOYSA-N	-1	1	227.289	0.534	10	0		BCAEMM
Cc1ccnc(S(=O)(=O)[N-]C2CC2)n1	ZINC000095090537	384361266	/nfs/dbraw/zinc/36/12/66/384361266.db2.gz	ZBSAEMRFWIZPQA-UHFFFAOYSA-N	-1	1	213.262	0.226	10	0		BCAEMM
O=[P@@]([O-])(O)[C@@H](O)c1cccc2c1OCO2	ZINC000012506556	384323528	/nfs/dbraw/zinc/32/35/28/384323528.db2.gz	ANLBPYLTQFKKJW-MRVPVSSYSA-N	-1	1	232.128	0.584	10	0		BCAEMM
Cc1cnn(CCNC(=O)c2cncc([O-])c2)c1	ZINC000172233215	384550651	/nfs/dbraw/zinc/55/06/51/384550651.db2.gz	NLMVPYGWBYSUQZ-UHFFFAOYSA-N	-1	1	246.270	0.722	10	0		BCAEMM
O=C([O-])[C@@H]1CNCCN1C(=O)c1ccsc1	ZINC000084022931	384828102	/nfs/dbraw/zinc/82/81/02/384828102.db2.gz	ZREJUCAENSNLBV-QMMMGPOBSA-N	-1	1	240.284	0.247	10	0		BCAEMM
COC(=O)c1c(N)c([N+](=O)[O-])ccc1[O-]	ZINC000575639351	387835931	/nfs/dbraw/zinc/83/59/31/387835931.db2.gz	HXVJOJDIHVJVPK-UHFFFAOYSA-N	-1	1	212.161	0.669	10	0		BCAEMM
COC(=O)Cc1cc(N)c([O-])c([N+](=O)[O-])c1	ZINC000575640306	387838740	/nfs/dbraw/zinc/83/87/40/387838740.db2.gz	LWWZJHLRZVQGTG-UHFFFAOYSA-N	-1	1	226.188	0.598	10	0		BCAEMM
COC(=O)c1cc([O-])c(N)cc1[N+](=O)[O-]	ZINC000575641902	387845352	/nfs/dbraw/zinc/84/53/52/387845352.db2.gz	XIZBEVTUFMHZQB-UHFFFAOYSA-N	-1	1	212.161	0.669	10	0		BCAEMM
CCOc1cc(C(N)=O)cc(C#N)c1[O-]	ZINC000575644203	387869542	/nfs/dbraw/zinc/86/95/42/387869542.db2.gz	LFXWTSGWJZECMH-UHFFFAOYSA-N	-1	1	206.201	0.761	10	0		BCAEMM
CCOc1cc(C(N)=O)cc([O-])c1C#N	ZINC000575645295	387880608	/nfs/dbraw/zinc/88/06/08/387880608.db2.gz	OBBNLYMYDOGQEP-UHFFFAOYSA-N	-1	1	206.201	0.761	10	0		BCAEMM
O=C(c1ncccc1[O-])N1C[C@@H](F)C[C@H]1CO	ZINC000372495874	388421427	/nfs/dbraw/zinc/42/14/27/388421427.db2.gz	NGRISRYFQFHTCE-YUMQZZPRSA-N	-1	1	240.234	0.332	10	0		BCAEMM
CCNC(=O)CN[C@@H](CC(C)C)C(=O)[O-]	ZINC000003651660	170065257	/nfs/dbraw/zinc/06/52/57/170065257.db2.gz	AOTODSPQIVLLJG-QMMMGPOBSA-N	-1	1	216.281	0.211	10	0		BCAEMM
CCOC(=O)Cc1ccc([O-])c(C=O)n1	ZINC000095774038	170235876	/nfs/dbraw/zinc/23/58/76/170235876.db2.gz	AKZISPHMKYEWMI-UHFFFAOYSA-N	-1	1	209.201	0.705	10	0		BCAEMM
CCOC(=O)Cc1cnc(C=O)c([O-])c1	ZINC000095774054	170236226	/nfs/dbraw/zinc/23/62/26/170236226.db2.gz	QSIAPYANBQQMJY-UHFFFAOYSA-N	-1	1	209.201	0.705	10	0		BCAEMM
CCOC(=O)c1nc(N)c(C(=O)OCC)[n-]1	ZINC000006499309	170306942	/nfs/dbraw/zinc/30/69/42/170306942.db2.gz	QWCGZDVIVAHGRP-UHFFFAOYSA-N	-1	1	227.220	0.345	10	0		BCAEMM
Cc1[n-]n(-c2ccc(N)nc2)c(=O)c1F	ZINC000584880393	411893254	/nfs/dbraw/zinc/89/32/54/411893254.db2.gz	WTHNMRODNLSYOK-QMMMGPOBSA-N	-1	1	208.196	0.724	10	0		BCAEMM
CCn1c(=O)[n-]n(-c2ccccc2)c1=O	ZINC000003607919	172132045	/nfs/dbraw/zinc/13/20/45/172132045.db2.gz	FMAWBQSUVRUERV-UHFFFAOYSA-N	-1	1	205.217	0.347	10	0		BCAEMM
COc1cccc(-c2cc(=O)[n-]c(NN)n2)c1	ZINC000072417250	175233357	/nfs/dbraw/zinc/23/33/57/175233357.db2.gz	SKHIEHWNYSOSKK-UHFFFAOYSA-N	-1	1	232.243	0.731	10	0		BCAEMM
COc1ccccc1-c1cc(=O)[n-]c(NN)n1	ZINC000072417251	175308517	/nfs/dbraw/zinc/30/85/17/175308517.db2.gz	KGGBPCLLOFWFBY-UHFFFAOYSA-N	-1	1	232.243	0.731	10	0		BCAEMM
C[C@@H]1CCC[C@@H](C)N1C(=O)CNCC(=O)[O-]	ZINC000035385529	176114174	/nfs/dbraw/zinc/11/41/74/176114174.db2.gz	RPTVEXZZOXMQLF-RKDXNWHRSA-N	-1	1	228.292	0.450	10	0		BCAEMM
C[C@H]1CC[C@H](C)C12C(=O)[N-]C(=O)NC2=O	ZINC000006037625	177197847	/nfs/dbraw/zinc/19/78/47/177197847.db2.gz	AYSCKFJUEHEIFG-WDSKDSINSA-N	-1	1	210.233	0.405	10	0		BCAEMM
N[C@H](c1nc(=O)o[n-]1)c1ccc(F)cc1	ZINC000095532878	527392754	/nfs/dbraw/zinc/39/27/54/527392754.db2.gz	LGJIRZONHNQPID-ZETCQYMHSA-N	-1	1	209.180	0.962	10	0		BCAEMM
C[C@H]1CC[C@H](O)CN1C(=O)c1ncccc1[O-]	ZINC000399168129	323198445	/nfs/dbraw/zinc/19/84/45/323198445.db2.gz	FRCVFIYUAXZALU-IUCAKERBSA-N	-1	1	236.271	0.773	10	0		BCAEMM
O=C(N[C@@H]1CCC[C@@H](O)C1)c1ncccc1[O-]	ZINC000679370247	488347947	/nfs/dbraw/zinc/34/79/47/488347947.db2.gz	OQDFUHUKGGLABV-RKDXNWHRSA-N	-1	1	236.271	0.821	10	0		BCAEMM
CC(C)[C@H](C)N1CCN(C(=O)C(=O)[O-])CC1	ZINC000083960860	491120080	/nfs/dbraw/zinc/12/00/80/491120080.db2.gz	PGYATOKTTAKCGB-VIFPVBQESA-N	-1	1	228.292	0.260	10	0		BCAEMM
COCCCc1ncc(C(=O)OC)c(=O)[n-]1	ZINC000260866932	566479534	/nfs/dbraw/zinc/47/95/34/566479534.db2.gz	XCXVCOPURSUIBC-UHFFFAOYSA-N	-1	1	226.232	0.548	10	0		BCAEMM
CN(C)C(C)(C)c1nc(C(=O)[O-])cc(=O)[nH]1	ZINC000395484026	583059453	/nfs/dbraw/zinc/05/94/53/583059453.db2.gz	CDKCCQRSCBODMR-UHFFFAOYSA-N	-1	1	225.248	0.677	10	0		BCAEMM
C[NH+](C)C(C)(C)c1nc(C(=O)[O-])cc(=O)[n-]1	ZINC000395484026	583059455	/nfs/dbraw/zinc/05/94/55/583059455.db2.gz	CDKCCQRSCBODMR-UHFFFAOYSA-N	-1	1	225.248	0.677	10	0		BCAEMM
O=Cc1cn([C@@H]2CN3CCC2CC3)nc1C(=O)[O-]	ZINC000757168698	582549961	/nfs/dbraw/zinc/54/99/61/582549961.db2.gz	LCRMUAQMPAQCJX-SNVBAGLBSA-N	-1	1	249.270	0.661	10	0		BCAEMM
O=C([O-])c1c2n(nc1C1CC1)CCNC2	ZINC000757172996	582551799	/nfs/dbraw/zinc/55/17/99/582551799.db2.gz	WMIMELAKFTWOCX-UHFFFAOYSA-N	-1	1	207.233	0.562	10	0		BCAEMM
O=C([O-])C1=NO[C@]2(C1)C[C@H]1CCC[N@@H+](C1)C2	ZINC000725246142	582736644	/nfs/dbraw/zinc/73/66/44/582736644.db2.gz	KXOOXYMAQQTFAJ-KCJUWKMLSA-N	-1	1	224.260	0.702	10	0		BCAEMM
C[NH+](C)C(C)(C)c1ncc(C(=O)[O-])c(=O)[n-]1	ZINC000395481516	583058855	/nfs/dbraw/zinc/05/88/55/583058855.db2.gz	BPJPXQNUGAKUPC-UHFFFAOYSA-N	-1	1	225.248	0.677	10	0		BCAEMM
CN(C)C(C)(C)c1ncc(C(=O)[O-])c(=O)[nH]1	ZINC000395481516	583058857	/nfs/dbraw/zinc/05/88/57/583058857.db2.gz	BPJPXQNUGAKUPC-UHFFFAOYSA-N	-1	1	225.248	0.677	10	0		BCAEMM
CO[C@@H](C)C(=O)N[C@@H](C)c1cc(=O)[nH][n-]1	ZINC000898867673	584162142	/nfs/dbraw/zinc/16/21/42/584162142.db2.gz	BQUKYZNEPHHEGA-WDSKDSINSA-N	-1	1	213.237	0.327	10	0		BCAEMM
Cc1nn2c([n-]1)nc(=O)c(C(C)C)c2O	ZINC000129043478	584907439	/nfs/dbraw/zinc/90/74/39/584907439.db2.gz	VSOVQUWZLPAPPM-UHFFFAOYSA-N	-1	1	208.221	0.555	10	0		BCAEMM
CCOC(=O)c1n[n-]nc1-c1cnccn1	ZINC000261008492	585024502	/nfs/dbraw/zinc/02/45/02/585024502.db2.gz	WZOGILZRPSJZJF-UHFFFAOYSA-N	-1	1	219.204	0.438	10	0		BCAEMM
O=C(c1ccccn1)N1CCC[C@H]1c1nn[n-]n1	ZINC000095183242	635433000	/nfs/dbraw/zinc/43/30/00/635433000.db2.gz	MQZKBEYGTDHZFB-VIFPVBQESA-N	-1	1	244.258	0.572	10	0		BCAEMM
CCCCNC(=O)CN[C@@H](CCC)C(=O)[O-]	ZINC000049281014	636049541	/nfs/dbraw/zinc/04/95/41/636049541.db2.gz	ROWZGKYINALRNM-VIFPVBQESA-N	-1	1	230.308	0.746	10	0		BCAEMM
C[C@H](NC(=O)Cc1nn[n-]n1)C1=CCCCC1	ZINC000067696801	636767669	/nfs/dbraw/zinc/76/76/69/636767669.db2.gz	HMZJOYYRWXVHEJ-QMMMGPOBSA-N	-1	1	235.291	0.747	10	0		BCAEMM
O=C([O-])Cc1ncc(Br)c(=O)[nH]1	ZINC000757121910	643239677	/nfs/dbraw/zinc/23/96/77/643239677.db2.gz	MEGCENXVIMHPIG-UHFFFAOYSA-N	-1	1	233.021	0.572	10	0		BCAEMM
O=C([N-]C[C@@H]1CCC[C@@H]1O)C(F)(F)F	ZINC000084227202	643654065	/nfs/dbraw/zinc/65/40/65/643654065.db2.gz	BQIQXKBXRAQTQG-WDSKDSINSA-N	-1	1	211.183	0.826	10	0		BCAEMM
O=C([N-][C@H]1CCC[C@H](O)C1)C(F)(F)F	ZINC000081562146	644331761	/nfs/dbraw/zinc/33/17/61/644331761.db2.gz	TWEGKXNUWFWBBT-WDSKDSINSA-N	-1	1	211.183	0.968	10	0		BCAEMM
CCC[C@@H](NCC(=O)NCC(C)C)C(=O)[O-]	ZINC000036839053	712499989	/nfs/dbraw/zinc/49/99/89/712499989.db2.gz	AHYLSMBEJIFLMW-SECBINFHSA-N	-1	1	230.308	0.602	10	0		BCAEMM
C/C=C/C(=O)N1CCC[C@H]1c1nn[n-]n1	ZINC000720639701	712859951	/nfs/dbraw/zinc/85/99/51/712859951.db2.gz	WFPIVPWEGYCOOU-XBBYQOBLSA-N	-1	1	207.237	0.439	10	0		BCAEMM
Cn1cccc1C(=O)N1CCC[C@H]1c1nn[n-]n1	ZINC000720655335	712861253	/nfs/dbraw/zinc/86/12/53/712861253.db2.gz	PKAKEUSNFMGJLS-QMMMGPOBSA-N	-1	1	246.274	0.516	10	0		BCAEMM
O=C([C@@H]1CC12CC2)N1CCC[C@@H]1c1nn[n-]n1	ZINC000720654077	712861256	/nfs/dbraw/zinc/86/12/56/712861256.db2.gz	RYSFLKAUTIIQED-JGVFFNPUSA-N	-1	1	233.275	0.663	10	0		BCAEMM
CCOC(=O)c1[n-]nnc1[C@H](COC)OC	ZINC000685953638	538897937	/nfs/dbraw/zinc/89/79/37/538897937.db2.gz	NXNRLTOYURXBKP-LURJTMIESA-N	-1	1	229.236	0.315	10	0		BCAEMM
CCOC(=O)c1nn[n-]c1[C@H](COC)OC	ZINC000685953638	538897938	/nfs/dbraw/zinc/89/79/38/538897938.db2.gz	NXNRLTOYURXBKP-LURJTMIESA-N	-1	1	229.236	0.315	10	0		BCAEMM
CCOC(=O)c1n[n-]nc1[C@H](COC)OC	ZINC000685953638	538897940	/nfs/dbraw/zinc/89/79/40/538897940.db2.gz	NXNRLTOYURXBKP-LURJTMIESA-N	-1	1	229.236	0.315	10	0		BCAEMM
N[C@H](CC(F)F)c1n[nH]nc1C(=O)[O-]	ZINC000685954605	538899393	/nfs/dbraw/zinc/89/93/93/538899393.db2.gz	UNEMABHBYXGZDC-UWTATZPHSA-N	-1	1	206.152	0.158	10	0		BCAEMM
CCOC(=O)c1[n-]nnc1-c1nncs1	ZINC000685954119	538899428	/nfs/dbraw/zinc/89/94/28/538899428.db2.gz	QURMWQDJNQAONW-UHFFFAOYSA-N	-1	1	225.233	0.500	10	0		BCAEMM
CCOC(=O)c1n[n-]nc1-c1nncs1	ZINC000685954119	538899430	/nfs/dbraw/zinc/89/94/30/538899430.db2.gz	QURMWQDJNQAONW-UHFFFAOYSA-N	-1	1	225.233	0.500	10	0		BCAEMM
COC[C@@H](C)CNCC(F)(F)C(=O)[O-]	ZINC000685957289	538904383	/nfs/dbraw/zinc/90/43/83/538904383.db2.gz	PQXZRUHNDNPJJD-LURJTMIESA-N	-1	1	211.208	0.578	10	0		BCAEMM
Cc1ccc(-n2nc(C(=O)[O-])[nH]c2=O)cc1	ZINC000020272438	178347072	/nfs/dbraw/zinc/34/70/72/178347072.db2.gz	OUGGBVFNCKVAIB-UHFFFAOYSA-N	-1	1	219.200	0.567	10	0		BCAEMM
CCCCC1(CC)C(=O)[N-]C(=O)NC1=O	ZINC000005514900	342765170	/nfs/dbraw/zinc/76/51/70/342765170.db2.gz	STDBAQMTJLUMFW-UHFFFAOYSA-N	-1	1	212.249	0.939	10	0	world	BCAEMM
C[C@H]1OCC[C@H]1n1c(=O)[n-][nH]c1=S	ZINC000134593351	342871478	/nfs/dbraw/zinc/87/14/78/342871478.db2.gz	YBMAUOQWSDBVJX-RFZPGFLSSA-N	-1	1	201.251	0.210	10	0		BCAEMM
Cc1cnc(S[C@@H]2COC[C@H]2O)[n-]c1=O	ZINC000308792875	342871622	/nfs/dbraw/zinc/87/16/22/342871622.db2.gz	BMSOAKRFRGXLIK-RNFRBKRXSA-N	-1	1	228.273	0.342	10	0		BCAEMM
CC(C)N1CCN(C(=O)/C=C/C(=O)[O-])CC1	ZINC000036170680	187249168	/nfs/dbraw/zinc/24/91/68/187249168.db2.gz	QLNVNLXLMAUTSI-ONEGZZNKSA-N	-1	1	226.276	0.180	10	0		BCAEMM
Cc1nc2nc(=O)c(C(C)C)c(N)n2[n-]1	ZINC000712037654	537783154	/nfs/dbraw/zinc/78/31/54/537783154.db2.gz	YLBGSGGKSFWDFL-UHFFFAOYSA-N	-1	1	207.237	0.432	10	0		BCAEMM
COC1CC(n2c(=O)[n-][nH]c2=S)C1	ZINC000234809332	344268701	/nfs/dbraw/zinc/26/87/01/344268701.db2.gz	HVQIZXXIRLJXKM-UHFFFAOYSA-N	-1	1	201.251	0.210	10	0		BCAEMM
COC(=O)Cc1c([O-])cc(C#N)cc1C=O	ZINC000396164433	344635459	/nfs/dbraw/zinc/63/54/59/344635459.db2.gz	TXIVBDGUFFKKMG-UHFFFAOYSA-N	-1	1	219.196	0.792	10	0		BCAEMM
COC(=O)c1cnc([C@@H](C)OC)[n-]c1=O	ZINC000300856867	537865866	/nfs/dbraw/zinc/86/58/66/537865866.db2.gz	IJSMIWJIDQSLGT-RXMQYKEDSA-N	-1	1	212.205	0.676	10	0		BCAEMM
C[C@@H](O)[C@@H](C)Sc1ccnc(NN)n1	ZINC000235338256	344887491	/nfs/dbraw/zinc/88/74/91/344887491.db2.gz	OMQGHOGKJQDCLW-PHDIDXHHSA-N	-1	1	214.294	0.624	10	0		BCAEMM
O=C([O-])N1c2ccccc2NC[C@@H]1c1nn[nH]n1	ZINC000616691854	345549096	/nfs/dbraw/zinc/54/90/96/345549096.db2.gz	QCKSBELCDKGOLP-MRVPVSSYSA-N	-1	1	246.230	0.851	10	0		BCAEMM
Nc1nc(-c2cscn2)nc(=S)[n-]1	ZINC000137328184	345607854	/nfs/dbraw/zinc/60/78/54/345607854.db2.gz	KOOFGDDHEPZENX-UHFFFAOYSA-N	-1	1	211.275	0.866	10	0		BCAEMM
O=C(c1cncc([O-])c1)N1CC(n2cccn2)C1	ZINC000600989808	345777365	/nfs/dbraw/zinc/77/73/65/345777365.db2.gz	YOCQXWWQDMCXST-UHFFFAOYSA-N	-1	1	244.254	0.681	10	0		BCAEMM
Cc1nn(C)c2c1nc([S-])n2N(C)C	ZINC000148657252	346038845	/nfs/dbraw/zinc/03/88/45/346038845.db2.gz	OEIUFSUWHMAVOS-UHFFFAOYSA-N	-1	1	211.294	0.565	10	0		BCAEMM
C[N-]S(=O)(=O)c1occc1-c1ncccn1	ZINC000675054601	537947447	/nfs/dbraw/zinc/94/74/47/537947447.db2.gz	RUSKWIKDNRJBRY-UHFFFAOYSA-N	-1	1	239.256	0.645	10	0		BCAEMM
Cc1nsc(=NN2CCN(C)CC2)[n-]1	ZINC000148452465	346146742	/nfs/dbraw/zinc/14/67/42/346146742.db2.gz	RPQCOMXSVFEAIU-UHFFFAOYSA-N	-1	1	213.310	0.421	10	0		BCAEMM
CCOC(=O)N1CCC[C@H](c2nn[n-]n2)C1	ZINC000034117176	346199214	/nfs/dbraw/zinc/19/92/14/346199214.db2.gz	WQNYOEOREWZPNE-ZETCQYMHSA-N	-1	1	225.252	0.536	10	0		BCAEMM
Nn1c(=S)[n-]nc1[C@@H]1CCCOC1	ZINC000062238350	346225538	/nfs/dbraw/zinc/22/55/38/346225538.db2.gz	PCBYPSSQHJNCKU-RXMQYKEDSA-N	-1	1	200.267	0.548	10	0		BCAEMM
Cc1cccc(NC(=O)c2nn[n-]n2)n1	ZINC000059823303	179142734	/nfs/dbraw/zinc/14/27/34/179142734.db2.gz	ITJFEFGWHPWVCY-UHFFFAOYSA-N	-1	1	204.193	0.155	10	0		BCAEMM
C[C@@H](C(N)=O)N1CCCCC[C@H]1C(=O)[O-]	ZINC000251029248	362833804	/nfs/dbraw/zinc/83/38/04/362833804.db2.gz	JUYOQCKISGWPEZ-YUMQZZPRSA-N	-1	1	214.265	0.189	10	0		BCAEMM
COCCC(=O)C1=C([O-])CC(C)CC1=O	ZINC000308814626	538031918	/nfs/dbraw/zinc/03/19/18/538031918.db2.gz	AQTOFLPKFMJXJN-UHFFFAOYSA-N	-1	1	212.245	0.776	10	0		BCAEMM
Cc1nnc(SC[C@H]2CC[C@@H](C(=O)[O-])O2)[nH]1	ZINC000051394358	179839866	/nfs/dbraw/zinc/83/98/66/179839866.db2.gz	DBJIABCTZYZRQS-RQJHMYQMSA-N	-1	1	243.288	0.837	10	0		BCAEMM
Cc1n[nH]c(SC[C@H]2CC[C@@H](C(=O)[O-])O2)n1	ZINC000051394358	179839868	/nfs/dbraw/zinc/83/98/68/179839868.db2.gz	DBJIABCTZYZRQS-RQJHMYQMSA-N	-1	1	243.288	0.837	10	0		BCAEMM
Cc1nc(-c2cccnc2)[n-]c(=O)c1CCO	ZINC000045956570	179868376	/nfs/dbraw/zinc/86/83/76/179868376.db2.gz	DMHAIANDVCRMFJ-UHFFFAOYSA-N	-1	1	231.255	0.675	10	0		BCAEMM
CC(=O)N1c2ccccc2NC[C@@H]1c1nn[n-]n1	ZINC000616586430	349408609	/nfs/dbraw/zinc/40/86/09/349408609.db2.gz	PMOTUHQAJAWKHV-SNVBAGLBSA-N	-1	1	244.258	0.719	10	0		BCAEMM
Cc1nc(Br)c([C@@H](N)C(=O)[O-])[nH]1	ZINC000082342606	180039640	/nfs/dbraw/zinc/03/96/40/180039640.db2.gz	ACSIMLUTZBRVPN-GSVOUGTGSA-N	-1	1	234.053	0.565	10	0		BCAEMM
Cc1nsc(NS(C)(=O)=O)c1C(=O)[O-]	ZINC000037675804	350286353	/nfs/dbraw/zinc/28/63/53/350286353.db2.gz	SFSZXXDMTBBMAA-UHFFFAOYSA-N	-1	1	236.274	0.521	10	0		BCAEMM
Cc1n[n-]c(=S)n1C[C@@H]1COCCO1	ZINC000038062719	350301288	/nfs/dbraw/zinc/30/12/88/350301288.db2.gz	SGLGIOOSKVXVNY-SSDOTTSWSA-N	-1	1	215.278	0.665	10	0		BCAEMM
O=C([O-])N1CCC[C@@H](c2nn[nH]n2)CC1	ZINC000616611399	350809047	/nfs/dbraw/zinc/80/90/47/350809047.db2.gz	PSMKDSBYORKGFO-ZCFIWIBFSA-N	-1	1	211.225	0.447	10	0		BCAEMM
Cn1cc(-n2ccc(=O)[n-]c2=S)cn1	ZINC000052312832	350979811	/nfs/dbraw/zinc/97/98/11/350979811.db2.gz	AWPPBPYIELKPDK-UHFFFAOYSA-N	-1	1	208.246	0.629	10	0		BCAEMM
Cc1nn(C)cc1CN1CC(C(=O)[O-])C1	ZINC000128987441	350954614	/nfs/dbraw/zinc/95/46/14/350954614.db2.gz	WHCKTURLBJWMLM-UHFFFAOYSA-N	-1	1	209.249	0.245	10	0		BCAEMM
O=c1c(Cl)c(Cl)ncn1Cc1nn[n-]n1	ZINC000306808850	351063048	/nfs/dbraw/zinc/06/30/48/351063048.db2.gz	QEKARAGXKRCAFD-UHFFFAOYSA-N	-1	1	247.045	0.112	10	0		BCAEMM
COC(=O)N1CCC[C@@H](c2nn[n-]n2)CC1	ZINC000616628566	351098540	/nfs/dbraw/zinc/09/85/40/351098540.db2.gz	DFELUMLTWGEXNP-SSDOTTSWSA-N	-1	1	225.252	0.536	10	0		BCAEMM
O=C([O-])N1CCCO[C@H](c2c[nH]nn2)C1	ZINC000616653148	351187047	/nfs/dbraw/zinc/18/70/47/351187047.db2.gz	YDYCFVJIHYZLJQ-ZETCQYMHSA-N	-1	1	212.209	0.246	10	0		BCAEMM
O=C([O-])N1CCCO[C@H](c2cnc[nH]2)C1	ZINC000616653067	351187453	/nfs/dbraw/zinc/18/74/53/351187453.db2.gz	XKPFJITYBQDHMK-QMMMGPOBSA-N	-1	1	211.221	0.851	10	0		BCAEMM
NC(=O)N1CCc2ccccc2[C@H]1c1nn[n-]n1	ZINC000616681514	351248708	/nfs/dbraw/zinc/24/87/08/351248708.db2.gz	YXHIXQSSQZYBCE-VIFPVBQESA-N	-1	1	244.258	0.226	10	0		BCAEMM
O=C([O-])N1CCOCC[C@@H]1c1cnc[nH]1	ZINC000616657726	351198914	/nfs/dbraw/zinc/19/89/14/351198914.db2.gz	FUKOIZILQGQSOH-MRVPVSSYSA-N	-1	1	211.221	0.851	10	0		BCAEMM
O=C1CCC[C@@H]1Sc1nccc(=O)[n-]1	ZINC000034980727	351373486	/nfs/dbraw/zinc/37/34/86/351373486.db2.gz	PSENTEXTECOXIB-ZETCQYMHSA-N	-1	1	210.258	0.984	10	0		BCAEMM
C[C@H](Oc1cccc2[nH]nnc21)C(=O)[O-]	ZINC000606241699	351406303	/nfs/dbraw/zinc/40/63/03/351406303.db2.gz	DONZLOMRGZBSMN-YFKPBYRVSA-N	-1	1	207.189	0.810	10	0		BCAEMM
C[C@]1([C@H]2CCOC2)N[C@@H](C(=O)[O-])CS1	ZINC000232064017	351615533	/nfs/dbraw/zinc/61/55/33/351615533.db2.gz	OTZFPHJYQDWMFR-OOZYFLPDSA-N	-1	1	217.290	0.529	10	0		BCAEMM
C[C@@H]1C[C@H](n2c(=O)[n-][nH]c2=S)CS1	ZINC000307242118	351747002	/nfs/dbraw/zinc/74/70/02/351747002.db2.gz	IHRGBXHQCLRNIJ-UHNVWZDZSA-N	-1	1	217.319	0.927	10	0		BCAEMM
CC1(C)SC[C@H]1n1c(=O)[n-][nH]c1=S	ZINC000307344489	352093733	/nfs/dbraw/zinc/09/37/33/352093733.db2.gz	ZHAMSHRYZOVTNW-SCSAIBSYSA-N	-1	1	217.319	0.927	10	0		BCAEMM
COC(=O)c1nc(NC(=O)c2ccccc2)n[n-]1	ZINC000012602627	352426482	/nfs/dbraw/zinc/42/64/82/352426482.db2.gz	AHBGDSREPWVVFA-UHFFFAOYSA-N	-1	1	246.226	0.844	10	0		BCAEMM
COC(=O)c1n[n-]c(NC(=O)c2ccccc2)n1	ZINC000012602627	352426485	/nfs/dbraw/zinc/42/64/85/352426485.db2.gz	AHBGDSREPWVVFA-UHFFFAOYSA-N	-1	1	246.226	0.844	10	0		BCAEMM
C[N-]S(=O)(=O)c1cnn(C(C)C)c1F	ZINC000307679112	352756511	/nfs/dbraw/zinc/75/65/11/352756511.db2.gz	LSRXQFWHYONMNF-UHFFFAOYSA-N	-1	1	221.257	0.511	10	0		BCAEMM
O=c1[n-]cnn1Cc1cnc(Cl)s1	ZINC000307695904	352957719	/nfs/dbraw/zinc/95/77/19/352957719.db2.gz	FWYCWCSEFYCXNK-UHFFFAOYSA-N	-1	1	216.653	0.730	10	0		BCAEMM
CNS(=O)(=O)[N-]c1cncc(Cl)n1	ZINC000161154587	363201876	/nfs/dbraw/zinc/20/18/76/363201876.db2.gz	UAZCAAKHRGYWNK-UHFFFAOYSA-N	-1	1	222.657	0.006	10	0		BCAEMM
C/C=C/C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-]	ZINC000019426216	188001887	/nfs/dbraw/zinc/00/18/87/188001887.db2.gz	XNKMHOZNZYCPST-SGJFDWMWSA-N	-1	1	223.232	0.098	10	0		BCAEMM
CC1(C)c2ccc(N)cc2C(=O)[N-]C1=O	ZINC000034088878	188012269	/nfs/dbraw/zinc/01/22/69/188012269.db2.gz	SFEHKRXHTPYTHM-UHFFFAOYSA-N	-1	1	204.229	0.816	10	0		BCAEMM
O=C([O-])c1c[nH]c2cccc(O)c2c1=O	ZINC000034501498	355841887	/nfs/dbraw/zinc/84/18/87/355841887.db2.gz	FVTAKEZMECQZEM-UHFFFAOYSA-N	-1	1	205.169	0.932	10	0		BCAEMM
O=C(NCC[C@@H]1CCCO1)c1cnn[nH]1	ZINC000088342112	356662738	/nfs/dbraw/zinc/66/27/38/356662738.db2.gz	RBVKZBAPZJOYGL-ZETCQYMHSA-N	-1	1	210.237	0.104	10	0		BCAEMM
O=Cc1ccn(-c2ccncc2C(=O)[O-])n1	ZINC000675068872	538497459	/nfs/dbraw/zinc/49/74/59/538497459.db2.gz	SSIQQUCZZVVCJS-UHFFFAOYSA-N	-1	1	217.184	0.778	10	0		BCAEMM
CC(C)(C)c1ccc(-c2nn[n-]n2)c(=O)[nH]1	ZINC000020272714	357003905	/nfs/dbraw/zinc/00/39/05/357003905.db2.gz	ZAGCVINVFSZRMX-UHFFFAOYSA-N	-1	1	219.248	0.853	10	0		BCAEMM
O=c1c([O-])c(NCc2ccccc2)c1=O	ZINC000137674718	357233392	/nfs/dbraw/zinc/23/33/92/357233392.db2.gz	UGCQGOWHZUXQJN-UHFFFAOYSA-N	-1	1	203.197	0.600	10	0		BCAEMM
CCOC(=O)c1n[n-]nc1-c1cccnn1	ZINC000260961243	538855127	/nfs/dbraw/zinc/85/51/27/538855127.db2.gz	MEIHNTHOUVSGPZ-UHFFFAOYSA-N	-1	1	219.204	0.438	10	0		BCAEMM
O=c1ccc(-c2nc3cc[nH]c(O)c-3n2)n[nH]1	ZINC000584660417	358311944	/nfs/dbraw/zinc/31/19/44/358311944.db2.gz	DXEMNSFQUBLJQD-UHFFFAOYSA-N	-1	1	229.199	0.826	10	0		BCAEMM
O=c1ccc(-c2nc3cc[nH]c([O-])c-3n2)n[nH]1	ZINC000584660417	358311946	/nfs/dbraw/zinc/31/19/46/358311946.db2.gz	DXEMNSFQUBLJQD-UHFFFAOYSA-N	-1	1	229.199	0.826	10	0		BCAEMM
Cc1cnc(-c2nc(C(=O)[O-])cc(=O)[nH]2)o1	ZINC000584637462	358322861	/nfs/dbraw/zinc/32/28/61/358322861.db2.gz	ZPEBSWLLNRFIHO-UHFFFAOYSA-N	-1	1	221.172	0.844	10	0		BCAEMM
O=c1[nH]nc(CCc2nccs2)cc1[O-]	ZINC000148087370	358433601	/nfs/dbraw/zinc/43/36/01/358433601.db2.gz	XWIIBIIBZNFSQE-UHFFFAOYSA-N	-1	1	223.257	0.717	10	0		BCAEMM
O=C([O-])[C@H]1CS[C@H]([C@H]2CCOC2)N1	ZINC000300338638	358963756	/nfs/dbraw/zinc/96/37/56/358963756.db2.gz	JNDVBUWGWNJCBW-RRKCRQDMSA-N	-1	1	203.263	0.139	10	0		BCAEMM
C[C@@H]1CC[C@@H](CSc2nnn[n-]2)O1	ZINC000306218696	359336718	/nfs/dbraw/zinc/33/67/18/359336718.db2.gz	LRUONZYRCCQYLH-RITPCOANSA-N	-1	1	200.267	0.859	10	0		BCAEMM
C[C@@H]1CC[C@@H](CSc2nn[n-]n2)O1	ZINC000306218696	359336724	/nfs/dbraw/zinc/33/67/24/359336724.db2.gz	LRUONZYRCCQYLH-RITPCOANSA-N	-1	1	200.267	0.859	10	0		BCAEMM
Cc1c(C(=O)[O-])sc2[nH]cnc(=NN)c12	ZINC000006521066	359873260	/nfs/dbraw/zinc/87/32/60/359873260.db2.gz	VVLHGUMLEPEMLA-UHFFFAOYSA-N	-1	1	224.245	0.984	10	0		BCAEMM
CN1CC[C@@H]([N-]C(=O)C(F)(F)Cl)C1	ZINC000306498353	360237612	/nfs/dbraw/zinc/23/76/12/360237612.db2.gz	DXSALJZTUOQBDI-RXMQYKEDSA-N	-1	1	212.627	0.638	10	0		BCAEMM
Cc1ncc(C(=O)[O-])n1Cc1cnns1	ZINC000306523914	360361354	/nfs/dbraw/zinc/36/13/54/360361354.db2.gz	WAERLKITLLYLQU-UHFFFAOYSA-N	-1	1	224.245	0.790	10	0		BCAEMM
C[C@H]1SCC[C@@H]1n1c(=O)[n-][nH]c1=S	ZINC000306545549	360414630	/nfs/dbraw/zinc/41/46/30/360414630.db2.gz	CNQGMLZRQBHTAX-UHNVWZDZSA-N	-1	1	217.319	0.927	10	0		BCAEMM
O=C([O-])[C@@H](O)c1cc(O)ccc1[N+](=O)[O-]	ZINC000238681651	361177622	/nfs/dbraw/zinc/17/76/22/361177622.db2.gz	MVNLREFIXPSMEW-ZETCQYMHSA-N	-1	1	213.145	0.418	10	0		BCAEMM
CO[N-]S(=O)(=O)c1ccc(F)cc1F	ZINC000070267232	361500171	/nfs/dbraw/zinc/50/01/71/361500171.db2.gz	TWGONSFIJMWTDP-UHFFFAOYSA-N	-1	1	223.200	0.805	10	0		BCAEMM
NCC(=O)N(CC(=O)[O-])c1ccccc1	ZINC000040484110	181348625	/nfs/dbraw/zinc/34/86/25/181348625.db2.gz	DGRDRKZWLQDTBM-UHFFFAOYSA-N	-1	1	208.217	0.063	10	0		BCAEMM
NCC(=O)Nc1cc(C(=O)[O-])ccc1Cl	ZINC000040479287	181354973	/nfs/dbraw/zinc/35/49/73/181354973.db2.gz	STJYQJHEJNUOAG-UHFFFAOYSA-N	-1	1	228.635	0.935	10	0		BCAEMM
NCC(=O)Nc1cc(F)c(F)cc1C(=O)[O-]	ZINC000061564318	181355922	/nfs/dbraw/zinc/35/59/22/181355922.db2.gz	NJHHTJJCGWWAIO-UHFFFAOYSA-N	-1	1	230.170	0.560	10	0		BCAEMM
Cc1ccnc(N[C@@H](C)CO)c1C(=O)[O-]	ZINC000133725251	372097299	/nfs/dbraw/zinc/09/72/99/372097299.db2.gz	IPLDVYHIWDCWPW-ZETCQYMHSA-N	-1	1	210.233	0.881	10	0		BCAEMM
O=C([O-])c1[nH+]nc2cc3c(cc2c1[O-])OCO3	ZINC000039424961	372970016	/nfs/dbraw/zinc/97/00/16/372970016.db2.gz	FDQOQXYETMDXMO-UHFFFAOYSA-N	-1	1	234.167	0.350	10	0		BCAEMM
O=[P@@]([O-])(O)[C@@H](O)c1cccc(F)c1	ZINC000141780866	373031764	/nfs/dbraw/zinc/03/17/64/373031764.db2.gz	YBIUMCXQEHMACP-SSDOTTSWSA-N	-1	1	206.109	0.994	10	0		BCAEMM
O=C(N[C@H]1C[C@H]2CC[C@@H]1O2)c1cncc([O-])c1	ZINC000158818376	182344501	/nfs/dbraw/zinc/34/45/01/182344501.db2.gz	GQISWDFITPTDES-VWYCJHECSA-N	-1	1	234.255	0.837	10	0		BCAEMM
CCCN1CCN(C(=O)N[C@H](C)C(=O)[O-])CC1	ZINC000042360153	169201704	/nfs/dbraw/zinc/20/17/04/169201704.db2.gz	TUEOXZIJUBCWGQ-SECBINFHSA-N	-1	1	243.307	0.197	10	0		BCAEMM
CCCNC(=O)[C@H](C)N[C@H](CCC)C(=O)[O-]	ZINC000036840009	169247218	/nfs/dbraw/zinc/24/72/18/169247218.db2.gz	GFLDOTMANWQOHN-DTWKUNHWSA-N	-1	1	230.308	0.744	10	0		BCAEMM
CCC[C@@H](C)NC(=O)CN[C@@H](C(=O)[O-])C1CC1	ZINC000054523631	169367947	/nfs/dbraw/zinc/36/79/47/169367947.db2.gz	FFCASCNSGJRPMZ-LDYMZIIASA-N	-1	1	242.319	0.744	10	0		BCAEMM
O=C([O-])Cc1[nH]nc2cc3c(cc21)OCO3	ZINC000068591540	384001392	/nfs/dbraw/zinc/00/13/92/384001392.db2.gz	HBGGOZLPTFBTDL-UHFFFAOYSA-N	-1	1	220.184	0.919	10	0		BCAEMM
O=C([O-])c1cnc(-n2cccn2)[n-]c1=O	ZINC000117209029	384167831	/nfs/dbraw/zinc/16/78/31/384167831.db2.gz	RJKSSALQEWGLDD-UHFFFAOYSA-N	-1	1	206.161	0.066	10	0		BCAEMM
O=C([O-])[C@H]1CN(C(=O)c2cccs2)CCN1	ZINC000095078109	384356333	/nfs/dbraw/zinc/35/63/33/384356333.db2.gz	LZILFQMZIPXIJU-SSDOTTSWSA-N	-1	1	240.284	0.247	10	0		BCAEMM
CCc1[n-]nc(C(=O)OC)c1C(=O)OC	ZINC000098181201	384601366	/nfs/dbraw/zinc/60/13/66/384601366.db2.gz	ZGJRWLZFXSNVPV-UHFFFAOYSA-N	-1	1	212.205	0.545	10	0		BCAEMM
CO[N-]C(=O)[C@H](Cc1ccccc1)N(C)C	ZINC000106456969	384915509	/nfs/dbraw/zinc/91/55/09/384915509.db2.gz	JFQXESMAHKAVPN-NSHDSACASA-N	-1	1	222.288	0.837	10	0		BCAEMM
CCCn1nnc2c1nc([C@@H](C)O)[n-]c2=O	ZINC000253560788	385682650	/nfs/dbraw/zinc/68/26/50/385682650.db2.gz	BGIKWIHMCVSHMY-RXMQYKEDSA-N	-1	1	223.236	0.390	10	0		BCAEMM
CN1CCC(O)(C(F)(F)C(=O)[O-])CC1	ZINC000052265743	385713448	/nfs/dbraw/zinc/71/34/48/385713448.db2.gz	PCKRZJMMDNMGPD-UHFFFAOYSA-N	-1	1	209.192	0.163	10	0		BCAEMM
Cc1cnn(CCNC(=O)c2ncccc2[O-])c1	ZINC000117987353	387036746	/nfs/dbraw/zinc/03/67/46/387036746.db2.gz	PAKARDXMKRZZRR-UHFFFAOYSA-N	-1	1	246.270	0.722	10	0		BCAEMM
CC(C)(c1n[n-]c(=S)n1N)C(F)F	ZINC000575577767	387039183	/nfs/dbraw/zinc/03/91/83/387039183.db2.gz	MRCZWORNGQKHIC-UHFFFAOYSA-N	-1	1	208.237	0.823	10	0		BCAEMM
Nn1c(C2(C(F)F)CC2)n[n-]c1=S	ZINC000575589353	387186512	/nfs/dbraw/zinc/18/65/12/387186512.db2.gz	RSBZHLMKEQMDEZ-UHFFFAOYSA-N	-1	1	206.221	0.577	10	0		BCAEMM
COC(=O)c1c(N)c([O-])ccc1[N+](=O)[O-]	ZINC000575639270	387836013	/nfs/dbraw/zinc/83/60/13/387836013.db2.gz	HHTYCRMDVQFTGL-UHFFFAOYSA-N	-1	1	212.161	0.669	10	0		BCAEMM
CCOc1cc(C(N)=O)c(C#N)cc1[O-]	ZINC000575644013	387871153	/nfs/dbraw/zinc/87/11/53/387871153.db2.gz	KEMXGCQGROEAGW-UHFFFAOYSA-N	-1	1	206.201	0.761	10	0		BCAEMM
CCc1ccc([C@@H](N)c2nnn[n-]2)s1	ZINC000051721080	398057338	/nfs/dbraw/zinc/05/73/38/398057338.db2.gz	PSCDZKVTIXEVNW-SSDOTTSWSA-N	-1	1	209.278	0.872	10	0		BCAEMM
CC(C)[N-]S(=O)(=O)c1ncccn1	ZINC000095088542	167130626	/nfs/dbraw/zinc/13/06/26/167130626.db2.gz	MBOGBEFWVXDQTF-UHFFFAOYSA-N	-1	1	201.251	0.163	10	0		BCAEMM
CC(C)[C@@H](C(=O)[O-])N1CCS(=O)CC1	ZINC000049691985	167344019	/nfs/dbraw/zinc/34/40/19/167344019.db2.gz	DSOCJWZNTRRGMR-QMMMGPOBSA-N	-1	1	219.306	0.160	10	0		BCAEMM
CCOC(=O)c1[n-]cnc1C(=O)n1ccnc1	ZINC000002436801	170286346	/nfs/dbraw/zinc/28/63/46/170286346.db2.gz	WNLUMJXMQQNJFI-UHFFFAOYSA-N	-1	1	234.215	0.471	10	0		BCAEMM
CCOC(=O)c1[n-]nc2c1nc[nH]c2=O	ZINC000089212127	170305259	/nfs/dbraw/zinc/30/52/59/170305259.db2.gz	DJOSWZWARNTUPS-UHFFFAOYSA-N	-1	1	208.177	0.235	10	0		BCAEMM
CCOC(=O)c1n[n-]c2c1nc[nH]c2=O	ZINC000089212127	170305261	/nfs/dbraw/zinc/30/52/61/170305261.db2.gz	DJOSWZWARNTUPS-UHFFFAOYSA-N	-1	1	208.177	0.235	10	0		BCAEMM
COC(=O)c1csc2c1[n-]c(N)nc2=O	ZINC000521399381	411858462	/nfs/dbraw/zinc/85/84/62/411858462.db2.gz	BMVBZUJPNGHSPX-UHFFFAOYSA-N	-1	1	225.229	0.766	10	0		BCAEMM
CC[C@@]1(C(C)C)C(=O)[N-]C(=O)N(C)C1=O	ZINC000003616655	171196964	/nfs/dbraw/zinc/19/69/64/171196964.db2.gz	RRHUCBHZOOEMKK-SNVBAGLBSA-N	-1	1	212.249	0.747	10	0		BCAEMM
CC[C@H](C)C(=O)N1CCN(CCC(=O)[O-])CC1	ZINC000035687001	171248009	/nfs/dbraw/zinc/24/80/09/171248009.db2.gz	QRDGFWROAQUZOC-JTQLQIEISA-N	-1	1	242.319	0.651	10	0		BCAEMM
CC[C@H](C)NC(=O)C[N@@H+](CC)C[C@@H](C)C(=O)[O-]	ZINC000061219837	171323286	/nfs/dbraw/zinc/32/32/86/171323286.db2.gz	VFITWPDATTYSSF-ZJUUUORDSA-N	-1	1	244.335	0.944	10	0		BCAEMM
CN(C)C(=O)c1c([O-])cccc1C(N)=O	ZINC000095711389	172387327	/nfs/dbraw/zinc/38/73/27/172387327.db2.gz	XARKJAXKBZIWEE-UHFFFAOYSA-N	-1	1	208.217	0.193	10	0		BCAEMM
CN(C)C(=O)c1cc([O-])ccc1C(N)=O	ZINC000095711468	172388649	/nfs/dbraw/zinc/38/86/49/172388649.db2.gz	QXGBYLPCATUVHA-UHFFFAOYSA-N	-1	1	208.217	0.193	10	0		BCAEMM
CN(C)C(=O)c1ccc(C(N)=O)c([O-])c1	ZINC000095711491	172389419	/nfs/dbraw/zinc/38/94/19/172389419.db2.gz	UYBCAAIRDVVXTO-UHFFFAOYSA-N	-1	1	208.217	0.193	10	0		BCAEMM
COc1ccc(OC)c([C@H](N)c2nnn[n-]2)c1	ZINC000019729482	175169185	/nfs/dbraw/zinc/16/91/85/175169185.db2.gz	LAUKVIMJZZUEPH-VIFPVBQESA-N	-1	1	235.247	0.265	10	0		BCAEMM
COc1ccc(OC)c([C@H](N)c2nn[n-]n2)c1	ZINC000019729482	175169187	/nfs/dbraw/zinc/16/91/87/175169187.db2.gz	LAUKVIMJZZUEPH-VIFPVBQESA-N	-1	1	235.247	0.265	10	0		BCAEMM
COc1cccc(NC(=O)CNCC(=O)[O-])c1	ZINC000035385628	175276605	/nfs/dbraw/zinc/27/66/05/175276605.db2.gz	AWMNGZHYJVFJGN-UHFFFAOYSA-N	-1	1	238.243	0.308	10	0		BCAEMM
COc1ccccc1[C@@H](N)c1nnn[n-]1	ZINC000019729449	175346993	/nfs/dbraw/zinc/34/69/93/175346993.db2.gz	GFOMCYWXTPUYAV-MRVPVSSYSA-N	-1	1	205.221	0.256	10	0		BCAEMM
COc1ccccc1[C@@H](N)c1nn[n-]n1	ZINC000019729449	175346994	/nfs/dbraw/zinc/34/69/94/175346994.db2.gz	GFOMCYWXTPUYAV-MRVPVSSYSA-N	-1	1	205.221	0.256	10	0		BCAEMM
C[C@@H]1C[C@@H]1C(=O)N1CCN(CCC(=O)[O-])CC1	ZINC000035687015	176385102	/nfs/dbraw/zinc/38/51/02/176385102.db2.gz	WLIMYKUYTUAJAG-ZJUUUORDSA-N	-1	1	240.303	0.261	10	0		BCAEMM
C[C@@H]1CCC[C@H](C)N1C(=O)CNCC(=O)[O-]	ZINC000035385526	177115115	/nfs/dbraw/zinc/11/51/15/177115115.db2.gz	RPTVEXZZOXMQLF-DTORHVGOSA-N	-1	1	228.292	0.450	10	0		BCAEMM
C[C@@H]1CN(c2ncnc3[nH]cnc32)C[C@H]1C(=O)[O-]	ZINC000235402191	487951076	/nfs/dbraw/zinc/95/10/76/487951076.db2.gz	GLVGEAPIWOVHRE-RNFRBKRXSA-N	-1	1	247.258	0.510	10	0		BCAEMM
CC1(C)CN[C@@H](C(=O)[O-])OC12CCOCC2	ZINC000757144831	582525946	/nfs/dbraw/zinc/52/59/46/582525946.db2.gz	NVZGOXJQSMXHCL-MRVPVSSYSA-N	-1	1	229.276	0.592	10	0		BCAEMM
O=c1[nH]cccc1S(=O)(=O)[N-]C1CCCC1	ZINC000229006798	527446574	/nfs/dbraw/zinc/44/65/74/527446574.db2.gz	ZQOFJHPBTZPTRA-UHFFFAOYSA-N	-1	1	242.300	0.596	10	0		BCAEMM
Cn1cncc1-c1nc(N)[n-]c(=S)n1	ZINC000236099754	582638737	/nfs/dbraw/zinc/63/87/37/582638737.db2.gz	ISDLTYURFQLGGD-UHFFFAOYSA-N	-1	1	208.250	0.143	10	0		BCAEMM
CCOCC(=O)N[C@H](C)c1cc(=O)[nH][n-]1	ZINC000898868779	584162243	/nfs/dbraw/zinc/16/22/43/584162243.db2.gz	WPSRUEUYNJGCLI-ZCFIWIBFSA-N	-1	1	213.237	0.329	10	0		BCAEMM
O=C([C@H]1C[C@@H]1C1CC1)N1CCC[C@@H]1c1nn[n-]n1	ZINC000900395801	584301778	/nfs/dbraw/zinc/30/17/78/584301778.db2.gz	KWJLKULVZBQQCY-KXUCPTDWSA-N	-1	1	247.302	0.909	10	0		BCAEMM
CCOC(=O)c1n[n-]nc1-c1cnco1	ZINC000260986946	585024364	/nfs/dbraw/zinc/02/43/64/585024364.db2.gz	RPCBZNSDNLZGFY-UHFFFAOYSA-N	-1	1	208.177	0.636	10	0		BCAEMM
CC1(C)CN[C@@H](C(=O)[O-])O[C@]12CCCOC2	ZINC000757139226	586427354	/nfs/dbraw/zinc/42/73/54/586427354.db2.gz	GHIKBCBNYRCZJH-KCJUWKMLSA-N	-1	1	229.276	0.592	10	0		BCAEMM
O=C(CC(F)(F)F)N1CCC[C@@H]1c1nn[n-]n1	ZINC000095119970	635425646	/nfs/dbraw/zinc/42/56/46/635425646.db2.gz	MEYCYWBAUWKBJV-RXMQYKEDSA-N	-1	1	249.196	0.816	10	0		BCAEMM
O=C(C1CCC1)N1CCC[C@H]1c1nn[n-]n1	ZINC000095119916	635426096	/nfs/dbraw/zinc/42/60/96/635426096.db2.gz	ZKGUOYWHWCXKRR-QMMMGPOBSA-N	-1	1	221.264	0.663	10	0		BCAEMM
O=C([N-]OCCC(F)(F)F)[C@H]1CNC(=O)C1	ZINC000162603319	634225506	/nfs/dbraw/zinc/22/55/06/634225506.db2.gz	NJPNTRUVIBEHPT-RXMQYKEDSA-N	-1	1	240.181	0.123	10	0		BCAEMM
CCOCCC(=O)N1CCC[C@@H]1c1nn[n-]n1	ZINC000095281805	635442936	/nfs/dbraw/zinc/44/29/36/635442936.db2.gz	AGAMEUYREMPBQI-MRVPVSSYSA-N	-1	1	239.279	0.290	10	0		BCAEMM
C[C@@H](NC(=O)Cc1nn[n-]n1)C1=CCCCC1	ZINC000067696804	636767205	/nfs/dbraw/zinc/76/72/05/636767205.db2.gz	HMZJOYYRWXVHEJ-MRVPVSSYSA-N	-1	1	235.291	0.747	10	0		BCAEMM
COC[C@H](C)C(=O)[N-]OC[C@H]1CCOC1	ZINC000189253196	641795182	/nfs/dbraw/zinc/79/51/82/641795182.db2.gz	PBXYZSZXODTCFI-IUCAKERBSA-N	-1	1	217.265	0.353	10	0		BCAEMM
CCOCCO[N-]C(=O)[C@H]1CCCO[C@@H]1C	ZINC000190379491	641861531	/nfs/dbraw/zinc/86/15/31/641861531.db2.gz	YXDQHKFOEKYGBX-ZJUUUORDSA-N	-1	1	231.292	0.886	10	0		BCAEMM
O=C([N-][C@H]1CCOC[C@@H]1O)C(F)(F)C(F)F	ZINC000706689720	712152441	/nfs/dbraw/zinc/15/24/41/712152441.db2.gz	ZPVAUNUIPDIUPM-WHFBIAKZSA-N	-1	1	245.172	0.153	10	0		BCAEMM
O=C([C@H]1[C@@H]2CCC[C@@H]21)N1CCC[C@H]1c1nn[n-]n1	ZINC000720654583	712860870	/nfs/dbraw/zinc/86/08/70/712860870.db2.gz	AWIVUKHCSBCSPG-QCLAVDOMSA-N	-1	1	247.302	0.909	10	0		BCAEMM
O=C([C@H]1CC12CC2)N1CCC[C@H]1c1nn[n-]n1	ZINC000720654079	712861135	/nfs/dbraw/zinc/86/11/35/712861135.db2.gz	RYSFLKAUTIIQED-SFYZADRCSA-N	-1	1	233.275	0.663	10	0		BCAEMM
CC(F)(F)CC(=O)N1CCC[C@H]1c1nn[n-]n1	ZINC000720653223	712861217	/nfs/dbraw/zinc/86/12/17/712861217.db2.gz	CFNLEZKGUHMDFM-LURJTMIESA-N	-1	1	245.233	0.909	10	0		BCAEMM
CC[C@@H]1CC[C@@H](c2n[n-]nc2C(=O)[O-])[NH2+]1	ZINC000685953537	538898307	/nfs/dbraw/zinc/89/83/07/538898307.db2.gz	LLICZQZSZPXPCB-RITPCOANSA-N	-1	1	210.237	0.706	10	0		BCAEMM
CCOC(=O)c1nn[n-]c1[C@@H](F)OC	ZINC000685953977	538898362	/nfs/dbraw/zinc/89/83/62/538898362.db2.gz	RAMHCIURIATLDJ-LURJTMIESA-N	-1	1	203.173	0.596	10	0		BCAEMM
CCOC(=O)c1n[n-]nc1[C@@H](F)OC	ZINC000685953977	538898364	/nfs/dbraw/zinc/89/83/64/538898364.db2.gz	RAMHCIURIATLDJ-LURJTMIESA-N	-1	1	203.173	0.596	10	0		BCAEMM
CCc1nc[nH]c1-c1n[nH]nc1C(=O)[O-]	ZINC000685954871	538900019	/nfs/dbraw/zinc/90/00/19/538900019.db2.gz	VWUVIQDCMZJARS-UHFFFAOYSA-N	-1	1	207.193	0.455	10	0		BCAEMM
CCN1CCN(c2cncc(C(=O)[O-])c2)CC1	ZINC000536959785	398199308	/nfs/dbraw/zinc/19/93/08/398199308.db2.gz	PXJJQKHGKPSDCB-UHFFFAOYSA-N	-1	1	235.287	0.922	10	0		BCAEMM
Cc1cc(N)ccc1NCc1nn[n-]n1	ZINC000044925559	178107604	/nfs/dbraw/zinc/10/76/04/178107604.db2.gz	POCNYJPRXKDEJR-UHFFFAOYSA-N	-1	1	204.237	0.702	10	0		BCAEMM
Cc1cc(NC(=O)CN)cc(C(=O)[O-])c1C	ZINC000062349062	178130584	/nfs/dbraw/zinc/13/05/84/178130584.db2.gz	BYPRTGCUGGIFFT-UHFFFAOYSA-N	-1	1	222.244	0.899	10	0		BCAEMM
Cc1c(C)n2nc(C3CC3)[n-]c2nc1=O	ZINC000229926934	538949429	/nfs/dbraw/zinc/94/94/29/538949429.db2.gz	JTPLFRVYQAMKRC-UHFFFAOYSA-N	-1	1	204.233	0.912	10	0		BCAEMM
CC(=O)C(C(C)=O)=C([O-])c1ccn(C)n1	ZINC000231906916	538953573	/nfs/dbraw/zinc/95/35/73/538953573.db2.gz	IITVOXLMQNYLMR-UHFFFAOYSA-N	-1	1	208.217	0.397	10	0		BCAEMM
CCC(CC)NC(=O)CN[C@@H](C(=O)[O-])C(C)C	ZINC000049286411	168377268	/nfs/dbraw/zinc/37/72/68/168377268.db2.gz	CBXMIYISBKQINT-LLVKDONJSA-N	-1	1	244.335	0.990	10	0		BCAEMM
CCC(CC)NC(=O)CN[C@H](C(=O)[O-])C(C)C	ZINC000049286408	168377472	/nfs/dbraw/zinc/37/74/72/168377472.db2.gz	CBXMIYISBKQINT-NSHDSACASA-N	-1	1	244.335	0.990	10	0		BCAEMM
Cc1cc(NS(=O)(=O)C2CC2)n[nH]1	ZINC000070909854	361876438	/nfs/dbraw/zinc/87/64/38/361876438.db2.gz	QTAQNPAXRNDWFW-UHFFFAOYSA-N	-1	1	201.251	0.622	10	0		BCAEMM
CC(C)[C@@]1(C(=O)[O-])C[C@H]1C(=O)N1CCNCC1	ZINC000725267286	539027009	/nfs/dbraw/zinc/02/70/09/539027009.db2.gz	XVVIJKPZVXBDLV-CABZTGNLSA-N	-1	1	240.303	0.165	10	0		BCAEMM
Cc1ccc2c(c1)c(=O)ccn2Cc1nn[n-]n1	ZINC000040175731	342959813	/nfs/dbraw/zinc/95/98/13/342959813.db2.gz	SLSHKTRZKPKHRT-UHFFFAOYSA-N	-1	1	241.254	0.871	10	0		BCAEMM
CC(C)N(C)S(=O)(=O)[N-]c1cc[nH]n1	ZINC000042520534	362004640	/nfs/dbraw/zinc/00/46/40/362004640.db2.gz	YUODMKAYUKQNAS-UHFFFAOYSA-N	-1	1	218.282	0.407	10	0		BCAEMM
Nc1nc(=O)c2sc(Cl)nc2[n-]1	ZINC000022048213	343037517	/nfs/dbraw/zinc/03/75/17/343037517.db2.gz	WFZAMWHTSBOQSR-UHFFFAOYSA-N	-1	1	202.626	0.615	10	0	in-vitro	BCAEMM
Cc1[n-]n(-c2ccc(N)cn2)c(=O)c1F	ZINC000584880296	343080609	/nfs/dbraw/zinc/08/06/09/343080609.db2.gz	MBMRUBCGOZLSCO-MRVPVSSYSA-N	-1	1	208.196	0.724	10	0		BCAEMM
CC(C)CC(=O)N[C@@H]1CCC[N@@H+](CC(=O)[O-])C1	ZINC000584883843	343086877	/nfs/dbraw/zinc/08/68/77/343086877.db2.gz	QEEFXMJXJCRROZ-SNVBAGLBSA-N	-1	1	242.319	0.698	10	0		BCAEMM
Cc1cc(=O)n2[n-]c3c(c2n1)CCCN3	ZINC000139296429	343297337	/nfs/dbraw/zinc/29/73/37/343297337.db2.gz	ZTWUHXINGUMVNX-UHFFFAOYSA-N	-1	1	204.233	0.244	10	0		BCAEMM
O=C1CCCC(=O)N1c1ncc([O-])cn1	ZINC000221294174	343399496	/nfs/dbraw/zinc/39/94/96/343399496.db2.gz	VOEJFIBHOJQKSE-UHFFFAOYSA-N	-1	1	207.189	0.226	10	0		BCAEMM
O=C([O-])C[N@H+]1CC[C@]2(CC[C@H](C(=O)[O-])C2)C1	ZINC000100281068	187290319	/nfs/dbraw/zinc/29/03/19/187290319.db2.gz	DCLIAMKPPYMOSM-KWQFWETISA-N	-1	1	227.260	0.648	10	0		BCAEMM
COC(=O)c1ccc(C=O)c(C#N)c1[O-]	ZINC000396135564	344613215	/nfs/dbraw/zinc/61/32/15/344613215.db2.gz	IRJASADNPYTZQD-UHFFFAOYSA-N	-1	1	205.169	0.863	10	0		BCAEMM
N#Cc1cc(CC(=O)[O-])c(O)cc1C=O	ZINC000396148788	344622642	/nfs/dbraw/zinc/62/26/42/344622642.db2.gz	NFFCTTDNQIBFJV-UHFFFAOYSA-N	-1	1	205.169	0.703	10	0		BCAEMM
COC(=O)Cc1ccc([O-])c(C#N)c1C=O	ZINC000396153472	344625676	/nfs/dbraw/zinc/62/56/76/344625676.db2.gz	CFLKVQALFXNLHY-UHFFFAOYSA-N	-1	1	219.196	0.792	10	0		BCAEMM
C[C@H](c1nn[n-]n1)N1C(=O)c2ccccc2C1=O	ZINC000044316269	345021774	/nfs/dbraw/zinc/02/17/74/345021774.db2.gz	SXEJAJKLCCTAGM-ZCFIWIBFSA-N	-1	1	243.226	0.557	10	0		BCAEMM
CN1CCC[C@H](Cn2nn[n-]c2=S)C1	ZINC000044538342	345112799	/nfs/dbraw/zinc/11/27/99/345112799.db2.gz	CVSFELNGBAEPEP-ZETCQYMHSA-N	-1	1	213.310	0.304	10	0		BCAEMM
O=C([N-]C[C@H]1CC[C@H](O)C1)C(F)(F)F	ZINC000236569188	346251695	/nfs/dbraw/zinc/25/16/95/346251695.db2.gz	ODDHZBZZTGFOFJ-WDSKDSINSA-N	-1	1	211.183	0.826	10	0		BCAEMM
CC(C)[C@H](C(=O)[O-])N1CCC[C@@H]1C(N)=O	ZINC000021509016	187319044	/nfs/dbraw/zinc/31/90/44/187319044.db2.gz	HYMUKWKOQBMYOL-HTQZYQBOSA-N	-1	1	214.265	0.045	10	0		BCAEMM
Cc1cccc(C)c1NC(=O)CNCC(=O)[O-]	ZINC000035385597	179040981	/nfs/dbraw/zinc/04/09/81/179040981.db2.gz	OFKRHNPQNVPSEQ-UHFFFAOYSA-N	-1	1	236.271	0.916	10	0		BCAEMM
Cc1cccc(NC(=O)CN[C@@H](C)C(=O)[O-])c1	ZINC000035388680	179129281	/nfs/dbraw/zinc/12/92/81/179129281.db2.gz	LMNQNLTWHAMYIC-VIFPVBQESA-N	-1	1	236.271	0.996	10	0		BCAEMM
Cc1ccccc1NC(=O)CN[C@H](C)C(=O)[O-]	ZINC000035388666	179299448	/nfs/dbraw/zinc/29/94/48/179299448.db2.gz	WFWFYRQDGBHUNG-SECBINFHSA-N	-1	1	236.271	0.996	10	0		BCAEMM
C[C@@H](C(=O)[O-])C(=O)N1CCN2CCCC[C@H]2C1	ZINC000253251794	349229618	/nfs/dbraw/zinc/22/96/18/349229618.db2.gz	WUNDFNBAXHIHOH-ZJUUUORDSA-N	-1	1	240.303	0.404	10	0		BCAEMM
C[C@H]1C[C@H]1[N-]S(=O)(=O)c1ncn(C)c1Cl	ZINC000052288773	350976139	/nfs/dbraw/zinc/97/61/39/350976139.db2.gz	WUTMAEGAOYHEOA-NTSWFWBYSA-N	-1	1	249.723	0.760	10	0		BCAEMM
CCOC(=O)N1CCC[C@@H](c2nn[n-]n2)CC1	ZINC000616626711	351106814	/nfs/dbraw/zinc/10/68/14/351106814.db2.gz	DSLDTFHXZYAGLB-MRVPVSSYSA-N	-1	1	239.279	0.926	10	0		BCAEMM
CCOC(=O)N1CCCC[C@H](c2nn[n-]n2)C1	ZINC000616627942	351096672	/nfs/dbraw/zinc/09/66/72/351096672.db2.gz	HJYHEONOQSCPDP-QMMMGPOBSA-N	-1	1	239.279	0.926	10	0		BCAEMM
N[C@H](C(=O)[O-])c1csc(-c2csnn2)n1	ZINC000306849498	351159193	/nfs/dbraw/zinc/15/91/93/351159193.db2.gz	NVKPNKZGYHQRQJ-YFKPBYRVSA-N	-1	1	242.285	0.746	10	0		BCAEMM
C[C@@H]1CSC[C@@H]1n1c(=O)[n-][nH]c1=S	ZINC000306850255	351160106	/nfs/dbraw/zinc/16/01/06/351160106.db2.gz	ONMAQLDCWNJMNN-UHNVWZDZSA-N	-1	1	217.319	0.784	10	0		BCAEMM
OCCN1c2ccccc2NC[C@H]1c1nn[n-]n1	ZINC000616682737	351253499	/nfs/dbraw/zinc/25/34/99/351253499.db2.gz	KLCITLZAZYCILP-JTQLQIEISA-N	-1	1	246.274	0.165	10	0		BCAEMM
Cn1nnc(C([O-])=Cc2cccs2)n1	ZINC000307163207	351528710	/nfs/dbraw/zinc/52/87/10/351528710.db2.gz	ZALATGIPRLRQJC-UHFFFAOYSA-N	-1	1	208.246	0.697	10	0		BCAEMM
C[C@H]1C[C@@H](n2c(=O)[n-][nH]c2=S)CS1	ZINC000307242116	351747323	/nfs/dbraw/zinc/74/73/23/351747323.db2.gz	IHRGBXHQCLRNIJ-CRCLSJGQSA-N	-1	1	217.319	0.927	10	0		BCAEMM
O=C([O-])[C@H](O)c1cc(F)cc(O)c1F	ZINC000307346504	352102855	/nfs/dbraw/zinc/10/28/55/352102855.db2.gz	PCZWMUVDWHBPGC-SSDOTTSWSA-N	-1	1	204.128	0.788	10	0		BCAEMM
C[C@@H]1CSC[C@H]1n1c(=O)[n-][nH]c1=S	ZINC000306850254	353043069	/nfs/dbraw/zinc/04/30/69/353043069.db2.gz	ONMAQLDCWNJMNN-RFZPGFLSSA-N	-1	1	217.319	0.784	10	0		BCAEMM
O=C([O-])C1=Nc2ccccc2S(=O)(=O)N1	ZINC000001483470	188269352	/nfs/dbraw/zinc/26/93/52/188269352.db2.gz	AIARBUCVYFXSIS-UHFFFAOYSA-N	-1	1	226.213	0.093	10	0		BCAEMM
Nc1cccc([C@@H](O)[P@](=O)([O-])O)c1	ZINC000026289912	188283030	/nfs/dbraw/zinc/28/30/30/188283030.db2.gz	RKWBURPMONKYLY-ZETCQYMHSA-N	-1	1	203.134	0.437	10	0		BCAEMM
CN(C)S(=O)(=O)[N-]c1cnc(Cl)cn1	ZINC000232113560	353694874	/nfs/dbraw/zinc/69/48/74/353694874.db2.gz	ZEZWTJRUPDSQHI-UHFFFAOYSA-N	-1	1	236.684	0.348	10	0		BCAEMM
C[C@H]1OCC[C@H]1c1nc(N)nc(=S)[n-]1	ZINC000137325868	355770897	/nfs/dbraw/zinc/77/08/97/355770897.db2.gz	VOSAYSUKSDUHLA-RFZPGFLSSA-N	-1	1	212.278	0.635	10	0		BCAEMM
Cn1c(N)nc2cc(CC(=O)[O-])ccc21	ZINC000675068173	538495625	/nfs/dbraw/zinc/49/56/25/538495625.db2.gz	URMAZODEZFUJFK-UHFFFAOYSA-N	-1	1	205.217	0.783	10	0		BCAEMM
NCc1csc([N-]S(=O)(=O)C2CC2)n1	ZINC000675072365	538503507	/nfs/dbraw/zinc/50/35/07/538503507.db2.gz	BRBVWSFIFSCOQT-UHFFFAOYSA-N	-1	1	233.318	0.506	10	0		BCAEMM
Cn1c(N)c(Br)c(=O)[n-]c1=S	ZINC000035575558	358003752	/nfs/dbraw/zinc/00/37/52/358003752.db2.gz	WAMPHLKAHQJAGH-UHFFFAOYSA-N	-1	1	236.094	0.788	10	0		BCAEMM
O=C([O-])[C@H]1CS[C@@H]([C@H]2CCSC2)N1	ZINC000300336618	358963389	/nfs/dbraw/zinc/96/33/89/358963389.db2.gz	AXGHVULUVHTPRB-XVMARJQXSA-N	-1	1	219.331	0.855	10	0		BCAEMM
Nn1c(=S)[n-]nc1[C@@H]1CCSC1	ZINC000069985364	361320082	/nfs/dbraw/zinc/32/00/82/361320082.db2.gz	YUJQANDBMIIPBU-SCSAIBSYSA-N	-1	1	202.308	0.875	10	0		BCAEMM
NCC(=O)N(CC(=O)[O-])c1cccc(Cl)c1	ZINC000040484573	181347748	/nfs/dbraw/zinc/34/77/48/181347748.db2.gz	SFKIYHLXQLSECY-UHFFFAOYSA-N	-1	1	242.662	0.716	10	0		BCAEMM
NCC(=O)Nc1ccccc1CC(=O)[O-]	ZINC000053200523	181355137	/nfs/dbraw/zinc/35/51/37/181355137.db2.gz	XTZALUSAKPWUMC-UHFFFAOYSA-N	-1	1	208.217	0.211	10	0		BCAEMM
NCC(=O)Nc1cc(F)ccc1C(=O)[O-]	ZINC000040473633	181355884	/nfs/dbraw/zinc/35/58/84/181355884.db2.gz	UMDIFGLRYUZZNS-UHFFFAOYSA-N	-1	1	212.180	0.421	10	0		BCAEMM
OCCN1c2ccccc2NC[C@@H]1c1nn[n-]n1	ZINC000616691422	369113547	/nfs/dbraw/zinc/11/35/47/369113547.db2.gz	KLCITLZAZYCILP-SNVBAGLBSA-N	-1	1	246.274	0.165	10	0		BCAEMM
O=C(NC1CC(CO)C1)c1ncccc1[O-]	ZINC000620882657	370038675	/nfs/dbraw/zinc/03/86/75/370038675.db2.gz	XJDVGKQIXGDIJE-UHFFFAOYSA-N	-1	1	222.244	0.288	10	0		BCAEMM
CCOC(=O)Cc1nc(Cl)cc(=O)[n-]1	ZINC000216044767	371686053	/nfs/dbraw/zinc/68/60/53/371686053.db2.gz	IDVWGYOYNIEFAY-UHFFFAOYSA-N	-1	1	216.624	0.529	10	0		BCAEMM
O=[P@@]([O-])(O)[C@H](O)c1cccc(F)c1	ZINC000141781054	373031613	/nfs/dbraw/zinc/03/16/13/373031613.db2.gz	YBIUMCXQEHMACP-ZETCQYMHSA-N	-1	1	206.109	0.994	10	0		BCAEMM
Nc1cc(=O)[n-]c(S[C@H]2CCOC2)n1	ZINC000069623246	373546213	/nfs/dbraw/zinc/54/62/13/373546213.db2.gz	OJKCARWXADEEIY-YFKPBYRVSA-N	-1	1	213.262	0.233	10	0		BCAEMM
Nc1n[n-]c(=S)n1C[C@@H]1CCCOC1	ZINC000070883000	374224292	/nfs/dbraw/zinc/22/42/92/374224292.db2.gz	NXLDGCILEKLZFK-LURJTMIESA-N	-1	1	214.294	0.949	10	0		BCAEMM
O=C(N[C@@H]1CCC[C@@H](O)C1)c1cncc([O-])c1	ZINC000104424055	182298013	/nfs/dbraw/zinc/29/80/13/182298013.db2.gz	MEZZNGKLWLDVJW-NXEZZACHSA-N	-1	1	236.271	0.821	10	0		BCAEMM
O=C(Nc1c[n-][nH]c1=O)OCc1ccccc1	ZINC000100135567	182326125	/nfs/dbraw/zinc/32/61/25/182326125.db2.gz	CKKIFYNOFYXCHA-VIFPVBQESA-N	-1	1	233.227	0.397	10	0		BCAEMM
CCC[C@@H](C)NC(=O)CN[C@@H](C(=O)[O-])C(C)C	ZINC000035391415	169367554	/nfs/dbraw/zinc/36/75/54/169367554.db2.gz	TUPMNOSPFZXENJ-MWLCHTKSSA-N	-1	1	244.335	0.990	10	0		BCAEMM
CCC[C@@H](NC(=O)C(F)(F)F)C(=O)[O-]	ZINC000001568176	169395369	/nfs/dbraw/zinc/39/53/69/169395369.db2.gz	NQTWROONGPTVIQ-SCSAIBSYSA-N	-1	1	213.155	0.918	10	0		BCAEMM
Cc1ccc2nc(C(=O)[O-])[nH]c2c1CC(N)=O	ZINC000089195040	383941480	/nfs/dbraw/zinc/94/14/80/383941480.db2.gz	GPIOUHPUCDMFFZ-UHFFFAOYSA-N	-1	1	233.227	0.597	10	0		BCAEMM
O=C([O-])Cc1[nH]c(Nc2ccccc2)nc1O	ZINC000072416561	384118088	/nfs/dbraw/zinc/11/80/88/384118088.db2.gz	UBFXQDPEFMWFBT-QMMMGPOBSA-N	-1	1	233.227	0.428	10	0		BCAEMM
CC(C)(C)[C@@H](O)CNC(=O)c1cncc([O-])c1	ZINC000133352890	384244925	/nfs/dbraw/zinc/24/49/25/384244925.db2.gz	BESAFZLDFLEWOA-JTQLQIEISA-N	-1	1	238.287	0.924	10	0		BCAEMM
C[N-]S(=O)(=O)c1nc(C)cc(C)n1	ZINC000095075999	384350350	/nfs/dbraw/zinc/35/03/50/384350350.db2.gz	KBESZXUCJLSNJO-UHFFFAOYSA-N	-1	1	201.251	0.002	10	0		BCAEMM
O=C([O-])[C@@H]1CN(C(=O)c2ccsc2)CCN1	ZINC000095078112	384354812	/nfs/dbraw/zinc/35/48/12/384354812.db2.gz	IYASHYSYSPDUDI-QMMMGPOBSA-N	-1	1	240.284	0.247	10	0		BCAEMM
C[C@@H]1OCC[C@H]1NC(=O)c1cncc([O-])c1	ZINC000134566327	384367352	/nfs/dbraw/zinc/36/73/52/384367352.db2.gz	JHQNDTSJHZTYQL-OIBJUYFYSA-N	-1	1	222.244	0.694	10	0		BCAEMM
O=C([O-])[C@H](CO)[P@@H](=O)c1ccccc1	ZINC000095932444	384410305	/nfs/dbraw/zinc/41/03/05/384410305.db2.gz	SXMVDSFFOPUGGC-QMMMGPOBSA-N	-1	1	214.157	0.317	10	0		BCAEMM
O=C([O-])[C@H]1CNCCN1C(=O)c1cccs1	ZINC000084022923	384828180	/nfs/dbraw/zinc/82/81/80/384828180.db2.gz	MMQYNFHMOIEHFV-SSDOTTSWSA-N	-1	1	240.284	0.247	10	0		BCAEMM
CCOc1nc(Cl)nc(=NN(C)C)[n-]1	ZINC000149615257	385352540	/nfs/dbraw/zinc/35/25/40/385352540.db2.gz	WJEHFYFOINUWQP-UHFFFAOYSA-N	-1	1	217.660	0.812	10	0		BCAEMM
CCOc1nc(=NN(C)C)nc(Cl)[n-]1	ZINC000149615257	385352546	/nfs/dbraw/zinc/35/25/46/385352546.db2.gz	WJEHFYFOINUWQP-UHFFFAOYSA-N	-1	1	217.660	0.812	10	0		BCAEMM
Cc1nnsc1CN1CC[C@@H](C(=O)[O-])C1	ZINC000257671421	385485327	/nfs/dbraw/zinc/48/53/27/385485327.db2.gz	MIDSQLRVBXCEAJ-SSDOTTSWSA-N	-1	1	227.289	0.753	10	0		BCAEMM
NC(=O)c1c([O-])cc(Br)cc1O	ZINC000575684326	387363118	/nfs/dbraw/zinc/36/31/18/387363118.db2.gz	APJMPWJHTZMBBR-UHFFFAOYSA-N	-1	1	232.033	0.959	10	0		BCAEMM
O=C(Nc1cccc(F)c1[O-])[C@H]1CNC(=O)C1	ZINC000530006502	388603783	/nfs/dbraw/zinc/60/37/83/388603783.db2.gz	PSUPAMTWODKMCI-ZCFIWIBFSA-N	-1	1	238.218	0.606	10	0		BCAEMM
CC1CC(C(=O)N2CCC[C@H](c3nn[n-]n3)C2)C1	ZINC000540424708	388806178	/nfs/dbraw/zinc/80/61/78/388806178.db2.gz	WAZRTCOINOJPFQ-KYHHOPLUSA-N	-1	1	249.318	0.952	10	0		BCAEMM
CCC[C@H](NC(=O)CCc1nc[nH]n1)C(=O)[O-]	ZINC000262347174	135294538	/nfs/dbraw/zinc/29/45/38/135294538.db2.gz	FCRXKOFAMDALIZ-ZETCQYMHSA-N	-1	1	240.263	0.107	10	0		BCAEMM
CCC[C@H](NC(=O)CCc1ncn[nH]1)C(=O)[O-]	ZINC000262347174	135294539	/nfs/dbraw/zinc/29/45/39/135294539.db2.gz	FCRXKOFAMDALIZ-ZETCQYMHSA-N	-1	1	240.263	0.107	10	0		BCAEMM
CC(C)NC(=O)[C@@H](C)[N@H+]1CC[C@H](C(=O)[O-])C1	ZINC000062133539	167079675	/nfs/dbraw/zinc/07/96/75/167079675.db2.gz	RTBHUILWCRPFLC-BDAKNGLRSA-N	-1	1	228.292	0.306	10	0		BCAEMM
CCOC(=O)N1CCN(C[C@H](C)C(=O)[O-])CC1	ZINC000049478136	170239959	/nfs/dbraw/zinc/23/99/59/170239959.db2.gz	NUBRGPQVHQSNMS-VIFPVBQESA-N	-1	1	244.291	0.481	10	0		BCAEMM
CCC[C@@H](N[C@@H]1CCN(CC)C1=O)C(=O)[O-]	ZINC000662206987	412022713	/nfs/dbraw/zinc/02/27/13/412022713.db2.gz	YELJRYPXJBCAIO-RKDXNWHRSA-N	-1	1	228.292	0.450	10	0		BCAEMM
CC[C@@H]1CC[C@H](C)C12C(=O)[N-]C(=O)NC2=O	ZINC000005923335	171050416	/nfs/dbraw/zinc/05/04/16/171050416.db2.gz	MGDVOGPFASHOIO-NKWVEPMBSA-N	-1	1	224.260	0.795	10	0		BCAEMM
CC[C@H](C)NC(=O)C[N@@H+](CC)CCC(=O)[O-]	ZINC000038024695	171323265	/nfs/dbraw/zinc/32/32/65/171323265.db2.gz	HZDBMEIAMBZAIJ-VIFPVBQESA-N	-1	1	230.308	0.698	10	0		BCAEMM
CN1CCN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1(C)C	ZINC000104133403	173071937	/nfs/dbraw/zinc/07/19/37/173071937.db2.gz	JONHGJOKGVYOFG-IUCAKERBSA-N	-1	1	240.303	0.260	10	0		BCAEMM
CNC(=O)[C@H]1CCCCN1[C@H](C(=O)[O-])C(C)C	ZINC000042423067	173305779	/nfs/dbraw/zinc/30/57/79/173305779.db2.gz	GDGFMFPQBDDXOT-ZJUUUORDSA-N	-1	1	242.319	0.696	10	0		BCAEMM
CNC(=O)[C@H]1CCCN1[C@@H](C(=O)[O-])C(C)C	ZINC000042394753	173306868	/nfs/dbraw/zinc/30/68/68/173306868.db2.gz	VDOQQAKIDSKNPA-RKDXNWHRSA-N	-1	1	228.292	0.306	10	0		BCAEMM
CNC(=O)c1ccc([O-])cc1C(=O)NC	ZINC000095723423	173311056	/nfs/dbraw/zinc/31/10/56/173311056.db2.gz	CQIXBTLFKOHKGK-UHFFFAOYSA-N	-1	1	208.217	0.111	10	0		BCAEMM
C[C@@H](N[C@H](C)C(=O)N1CCCC1)C(=O)[O-]	ZINC000035389031	175918984	/nfs/dbraw/zinc/91/89/84/175918984.db2.gz	ZSNIIUTYVNZQCJ-HTQZYQBOSA-N	-1	1	214.265	0.060	10	0		BCAEMM
C[C@H](NCC(=O)N(C)c1ccccc1)C(=O)[O-]	ZINC000035388279	176832493	/nfs/dbraw/zinc/83/24/93/176832493.db2.gz	DMFXXCVPASDSBG-VIFPVBQESA-N	-1	1	236.271	0.712	10	0		BCAEMM
C[C@@H](N[C@@H](C)C(=O)N1CCCC1)C(=O)[O-]	ZINC000035389030	176908209	/nfs/dbraw/zinc/90/82/09/176908209.db2.gz	ZSNIIUTYVNZQCJ-JGVFFNPUSA-N	-1	1	214.265	0.060	10	0		BCAEMM
C[C@H]1NC(=O)CC[C@@H]1NC(=O)c1ncccc1[O-]	ZINC000282237256	177393573	/nfs/dbraw/zinc/39/35/73/177393573.db2.gz	ROQCTILJDJUMMR-SFYZADRCSA-N	-1	1	249.270	0.184	10	0		BCAEMM
CCOC(=O)Cc1c[n-]n(-c2ccncc2)c1=O	ZINC000536953993	490235594	/nfs/dbraw/zinc/23/55/94/490235594.db2.gz	MLFWIOSSDZNJFR-UHFFFAOYSA-N	-1	1	247.254	0.666	10	0		BCAEMM
CC(C)(CCN1CC[C@@H]1C(N)=O)C(=O)[O-]	ZINC000757150276	582533808	/nfs/dbraw/zinc/53/38/08/582533808.db2.gz	PAQGYWVGHCLXQZ-SSDOTTSWSA-N	-1	1	214.265	0.047	10	0		BCAEMM
CC(C)(CC(=O)[O-])CN1CCOCC1	ZINC000095533148	519196375	/nfs/dbraw/zinc/19/63/75/519196375.db2.gz	VJGNWSCXYFGZCC-UHFFFAOYSA-N	-1	1	201.266	0.820	10	0		BCAEMM
CC1(C)CN[C@H](C(=O)[O-])O[C@@]12CCOC2	ZINC000757139807	582520482	/nfs/dbraw/zinc/52/04/82/582520482.db2.gz	HMEJYVXSHXWOCN-OIBJUYFYSA-N	-1	1	215.249	0.202	10	0		BCAEMM
Cc1c[nH]cc1C(=O)N1CCC[C@@H]1c1nn[n-]n1	ZINC000900393789	584301076	/nfs/dbraw/zinc/30/10/76/584301076.db2.gz	HRNZKMUQTKDXPA-SECBINFHSA-N	-1	1	246.274	0.814	10	0		BCAEMM
CC1(C)CN[C@H](C(=O)[O-])O[C@]12CCCOC2	ZINC000757139234	586427896	/nfs/dbraw/zinc/42/78/96/586427896.db2.gz	GHIKBCBNYRCZJH-KWQFWETISA-N	-1	1	229.276	0.592	10	0		BCAEMM
NC(=O)[C@H]1CCN1CCCCCC(=O)[O-]	ZINC000757144137	586428325	/nfs/dbraw/zinc/42/83/25/586428325.db2.gz	ITKANOPFAWCOOU-MRVPVSSYSA-N	-1	1	214.265	0.191	10	0		BCAEMM
C[C@H](F)CNCc1cc(C(=O)[O-])nn1C	ZINC000757179376	586433440	/nfs/dbraw/zinc/43/34/40/586433440.db2.gz	DJYQNONOURBBKW-LURJTMIESA-N	-1	1	215.228	0.566	10	0		BCAEMM
C[C@@H](F)CNCc1cc(C(=O)[O-])nn1C	ZINC000757179377	586433446	/nfs/dbraw/zinc/43/34/46/586433446.db2.gz	DJYQNONOURBBKW-ZCFIWIBFSA-N	-1	1	215.228	0.566	10	0		BCAEMM
O=C(c1ccco1)N1CCC[C@H]1c1nn[n-]n1	ZINC000095164042	635431011	/nfs/dbraw/zinc/43/10/11/635431011.db2.gz	PVQPIRCATJORJV-ZETCQYMHSA-N	-1	1	233.231	0.770	10	0		BCAEMM
CC[C@H](C)C(=O)N1CCC[C@H]1c1nn[n-]n1	ZINC000095259280	635440563	/nfs/dbraw/zinc/44/05/63/635440563.db2.gz	KMDBDBQHWXDKES-YUMQZZPRSA-N	-1	1	223.280	0.909	10	0		BCAEMM
CSCC(=O)N1CCC[C@@H]1c1nn[n-]n1	ZINC000095307419	641598347	/nfs/dbraw/zinc/59/83/47/641598347.db2.gz	NYYOVVFLFXVWRP-ZCFIWIBFSA-N	-1	1	227.293	0.226	10	0		BCAEMM
CCC[C@H](N[C@@H]1CCN(C(C)C)C1=O)C(=O)[O-]	ZINC000185053724	643262339	/nfs/dbraw/zinc/26/23/39/643262339.db2.gz	OUBIASUBPMLTII-ZJUUUORDSA-N	-1	1	242.319	0.839	10	0		BCAEMM
C[C@@H](NC(=O)c1ncccc1[O-])[C@H](C)O	ZINC000346386581	643558570	/nfs/dbraw/zinc/55/85/70/643558570.db2.gz	QWMDIGCCZCWUCC-RQJHMYQMSA-N	-1	1	210.233	0.286	10	0		BCAEMM
C[C@H](C(=O)[O-])N(C)Cc1cc(Cl)n(C)n1	ZINC000706144050	712140419	/nfs/dbraw/zinc/14/04/19/712140419.db2.gz	TUKNMVFGGPRXKK-ZCFIWIBFSA-N	-1	1	231.683	0.978	10	0		BCAEMM
COCC1CC(NC(=O)c2ncccc2[O-])C1	ZINC000713975355	712475339	/nfs/dbraw/zinc/47/53/39/712475339.db2.gz	YWFZDEGPRYRQMT-UHFFFAOYSA-N	-1	1	236.271	0.942	10	0		BCAEMM
C/C=C\C(=O)N1CCC[C@@H]1c1nn[n-]n1	ZINC000720639693	712860256	/nfs/dbraw/zinc/86/02/56/712860256.db2.gz	WFPIVPWEGYCOOU-DQZUBPPWSA-N	-1	1	207.237	0.439	10	0		BCAEMM
C[C@H](C(=O)N1CCC[C@H]1c1nn[n-]n1)C1CC1	ZINC000720653245	712860875	/nfs/dbraw/zinc/86/08/75/712860875.db2.gz	DOOSNVJNMQKSTC-CBAPKCEASA-N	-1	1	235.291	0.909	10	0		BCAEMM
O=C(C1CSC1)N1CCC[C@H]1c1nn[n-]n1	ZINC000720653254	712860885	/nfs/dbraw/zinc/86/08/85/712860885.db2.gz	FDWLNCHARZWSCQ-ZETCQYMHSA-N	-1	1	239.304	0.226	10	0		BCAEMM
CC1(C)C[C@H]1C(=O)N1CCC[C@@H]1c1nn[n-]n1	ZINC000720653237	712861159	/nfs/dbraw/zinc/86/11/59/712861159.db2.gz	DHAVGAYDWTUHFC-JGVFFNPUSA-N	-1	1	235.291	0.909	10	0		BCAEMM
O=C(c1ccc[nH]1)N1CCC[C@H]1c1nn[n-]n1	ZINC000720653591	712861281	/nfs/dbraw/zinc/86/12/81/712861281.db2.gz	KESTULHEUUEFEK-QMMMGPOBSA-N	-1	1	232.247	0.505	10	0		BCAEMM
Cc1cc(F)ccc1CNCc1nnn[n-]1	ZINC000050577733	178086842	/nfs/dbraw/zinc/08/68/42/178086842.db2.gz	QUEJMKZWLOKNQQ-UHFFFAOYSA-N	-1	1	221.239	0.937	10	0		BCAEMM
Cc1cc(F)ccc1CNCc1nn[n-]n1	ZINC000050577733	178086845	/nfs/dbraw/zinc/08/68/45/178086845.db2.gz	QUEJMKZWLOKNQQ-UHFFFAOYSA-N	-1	1	221.239	0.937	10	0		BCAEMM
CC[C@H](NC(=O)c1ccc([O-])cc1F)C(N)=O	ZINC000292715101	398203413	/nfs/dbraw/zinc/20/34/13/398203413.db2.gz	FLMNCIOGIZQWAP-VIFPVBQESA-N	-1	1	240.234	0.525	10	0		BCAEMM
Nc1n[n-]c(=S)n1[C@@H]1CCCOC1	ZINC000070882270	361850183	/nfs/dbraw/zinc/85/01/83/361850183.db2.gz	VKRBRFISDKXZSF-RXMQYKEDSA-N	-1	1	200.267	0.874	10	0		BCAEMM
CC[N-]S(=O)(=O)c1ncccc1F	ZINC000233532989	342871620	/nfs/dbraw/zinc/87/16/20/342871620.db2.gz	YVYCROUGLDOQNQ-UHFFFAOYSA-N	-1	1	204.226	0.519	10	0		BCAEMM
CCc1n[n-]c(=S)n1[C@H](C)C(=O)NC	ZINC000042572199	362009214	/nfs/dbraw/zinc/00/92/14/362009214.db2.gz	UXNNFVJDHLCFSD-RXMQYKEDSA-N	-1	1	214.294	0.810	10	0		BCAEMM
Nc1[n-]c(=O)nc2c1cnn2-c1ccccc1	ZINC000049474051	343599395	/nfs/dbraw/zinc/59/93/95/343599395.db2.gz	FRBFOZQJZXPBQA-UHFFFAOYSA-N	-1	1	227.227	0.691	10	0		BCAEMM
Cc1cc(Cn2c(N)n[n-]c2=S)on1	ZINC000070883337	343956958	/nfs/dbraw/zinc/95/69/58/343956958.db2.gz	PTDFIOXQQKMYMT-UHFFFAOYSA-N	-1	1	211.250	0.868	10	0		BCAEMM
CN1CC[NH2+]C[C@@H]1C(=O)c1ccc([O-])cc1	ZINC000095932809	187288889	/nfs/dbraw/zinc/28/88/89/187288889.db2.gz	QELUHMDZTWXKOL-LLVKDONJSA-N	-1	1	220.272	0.479	10	0		BCAEMM
O=S(=O)([N-]c1cc(Cl)ncn1)NC1CC1	ZINC000236056538	344288072	/nfs/dbraw/zinc/28/80/72/344288072.db2.gz	SPHMDPSLZSEWDX-UHFFFAOYSA-N	-1	1	248.695	0.539	10	0		BCAEMM
CC[N@H+]1CC[C@H](C(=O)[O-])[C@H](C(=O)[O-])C1	ZINC000127796051	344655265	/nfs/dbraw/zinc/65/52/65/344655265.db2.gz	ONJSPSWSEZPDLA-NKWVEPMBSA-N	-1	1	201.222	0.114	10	0		BCAEMM
N#Cc1cc(O)cc([N+](=O)[O-])c1C(=O)[O-]	ZINC000396155003	344626881	/nfs/dbraw/zinc/62/68/81/344626881.db2.gz	FJVGVPAXYQWTHY-UHFFFAOYSA-N	-1	1	208.129	0.870	10	0		BCAEMM
C[C@H]1C[C@@H](n2nn[n-]c2=S)CCN1C	ZINC000158718725	344731147	/nfs/dbraw/zinc/73/11/47/344731147.db2.gz	XRSCNRLHPJIHRH-BQBZGAKWSA-N	-1	1	213.310	0.617	10	0		BCAEMM
COc1nc(Cl)nc(=NN(C)C)[n-]1	ZINC000148173822	345293754	/nfs/dbraw/zinc/29/37/54/345293754.db2.gz	XBJFDPQBYJBISM-UHFFFAOYSA-N	-1	1	203.633	0.422	10	0		BCAEMM
COc1nc(=NN(C)C)nc(Cl)[n-]1	ZINC000148173822	345293756	/nfs/dbraw/zinc/29/37/56/345293756.db2.gz	XBJFDPQBYJBISM-UHFFFAOYSA-N	-1	1	203.633	0.422	10	0		BCAEMM
COc1ccc(C(=O)N2CC=CCN2)c([O-])c1	ZINC000628225481	346176567	/nfs/dbraw/zinc/17/65/67/346176567.db2.gz	BBWKNABHAGADFN-UHFFFAOYSA-N	-1	1	234.255	0.917	10	0		BCAEMM
NS(=O)(=O)Nc1cccc(Cl)c1[O-]	ZINC000167502167	346256457	/nfs/dbraw/zinc/25/64/57/346256457.db2.gz	BXWTUOJFWRSOAW-UHFFFAOYSA-N	-1	1	222.653	0.661	10	0		BCAEMM
Cn1nc(C(=O)[O-])c2c1CN(C1CC1)CC2	ZINC000215457152	537968186	/nfs/dbraw/zinc/96/81/86/537968186.db2.gz	DVZVIHYCXWCFTM-UHFFFAOYSA-N	-1	1	221.260	0.639	10	0		BCAEMM
Cc1cccc(NC(=O)CN[C@H](C)C(=O)[O-])c1	ZINC000035388682	179129327	/nfs/dbraw/zinc/12/93/27/179129327.db2.gz	LMNQNLTWHAMYIC-SECBINFHSA-N	-1	1	236.271	0.996	10	0		BCAEMM
Cc1ccccc1S(=O)(=O)C[C@H](N)C(=O)[O-]	ZINC000001843215	179314512	/nfs/dbraw/zinc/31/45/12/179314512.db2.gz	GLRQPVOKDMGBNI-QMMMGPOBSA-N	-1	1	243.284	0.181	10	0		BCAEMM
CC(C)[C@@]1(C(=O)[O-])C[C@@H]1C(=O)N1CCNCC1	ZINC000725267288	538097404	/nfs/dbraw/zinc/09/74/04/538097404.db2.gz	XVVIJKPZVXBDLV-SKDRFNHKSA-N	-1	1	240.303	0.165	10	0		BCAEMM
CC(C)(C)N1CCCOC[C@H]1c1nnn[n-]1	ZINC000616596585	350633737	/nfs/dbraw/zinc/63/37/37/350633737.db2.gz	CFCCMYGEFBZATN-QMMMGPOBSA-N	-1	1	225.296	0.762	10	0		BCAEMM
C[C@@H]1C[C@@H]1[N-]S(=O)(=O)c1ncn(C)c1Cl	ZINC000052288764	350976293	/nfs/dbraw/zinc/97/62/93/350976293.db2.gz	WUTMAEGAOYHEOA-RITPCOANSA-N	-1	1	249.723	0.760	10	0		BCAEMM
COC(=O)N1CCCCC[C@H]1c1nn[n-]n1	ZINC000616623646	351089333	/nfs/dbraw/zinc/08/93/33/351089333.db2.gz	OIUJTNPDNFDDCM-ZETCQYMHSA-N	-1	1	225.252	0.883	10	0		BCAEMM
O=C([O-])N1CCCO[C@H](c2nnc[nH]2)C1	ZINC000616650996	351181004	/nfs/dbraw/zinc/18/10/04/351181004.db2.gz	KGMXEGHHSFJDBH-LURJTMIESA-N	-1	1	212.209	0.246	10	0		BCAEMM
c1ccc(CN2CCOC[C@H]2c2nn[n-]n2)cc1	ZINC000616639608	351144075	/nfs/dbraw/zinc/14/40/75/351144075.db2.gz	QELQLQMWVQJXLY-NSHDSACASA-N	-1	1	245.286	0.773	10	0		BCAEMM
O=C([O-])N1CCO[C@@H](c2nnc[nH]2)CC1	ZINC000616662936	351214197	/nfs/dbraw/zinc/21/41/97/351214197.db2.gz	MFURVYKDVQBAOD-ZCFIWIBFSA-N	-1	1	212.209	0.246	10	0		BCAEMM
CN(C)c1ccc(/C=C(/N)C(=O)[O-])cn1	ZINC000307284451	351846397	/nfs/dbraw/zinc/84/63/97/351846397.db2.gz	NGOAGYSANSSRSJ-VMPITWQZSA-N	-1	1	207.233	0.532	10	0		BCAEMM
Clc1cnc(Sc2nn[n-]n2)nc1	ZINC000307368911	352454661	/nfs/dbraw/zinc/45/46/61/352454661.db2.gz	NMQGHKVAWMJXDE-UHFFFAOYSA-N	-1	1	214.641	0.794	10	0		BCAEMM
O=c1ccnc(S[C@@H]2COC[C@H]2O)[n-]1	ZINC000307371932	352470664	/nfs/dbraw/zinc/47/06/64/352470664.db2.gz	QMXMDKFPVANHPW-PHDIDXHHSA-N	-1	1	214.246	0.034	10	0		BCAEMM
N[C@@H](c1nnn[n-]1)c1ccsc1Cl	ZINC000307590840	352662300	/nfs/dbraw/zinc/66/23/00/352662300.db2.gz	CTZZIFYONHGOQW-SCSAIBSYSA-N	-1	1	215.669	0.963	10	0		BCAEMM
N[C@@H](c1nn[n-]n1)c1ccsc1Cl	ZINC000307590840	352662305	/nfs/dbraw/zinc/66/23/05/352662305.db2.gz	CTZZIFYONHGOQW-SCSAIBSYSA-N	-1	1	215.669	0.963	10	0		BCAEMM
Cc1nsc(Sc2nn[n-]n2)n1	ZINC000307624267	352691646	/nfs/dbraw/zinc/69/16/46/352691646.db2.gz	ILNZPHPBHZBVPK-UHFFFAOYSA-N	-1	1	200.252	0.511	10	0		BCAEMM
COC(=O)c1cnc(C[C@H](C)OC)[n-]c1=O	ZINC000300981753	538111180	/nfs/dbraw/zinc/11/11/80/538111180.db2.gz	YSNOMXKQBFQLFV-LURJTMIESA-N	-1	1	226.232	0.546	10	0		BCAEMM
CC1(C)c2ccc(N)c(N)c2C(=O)[N-]C1=O	ZINC000038284035	188282937	/nfs/dbraw/zinc/28/29/37/188282937.db2.gz	JBEITPZFEQEJLB-UHFFFAOYSA-N	-1	1	219.244	0.399	10	0		BCAEMM
CC(C)=CC(=O)N1CCN([C@H](C)C(=O)[O-])CC1	ZINC000051638945	188299766	/nfs/dbraw/zinc/29/97/66/188299766.db2.gz	MSDFIDOSTYWUFZ-SNVBAGLBSA-N	-1	1	240.303	0.570	10	0		BCAEMM
C[C@H]1OCC[C@@H]1c1nc(N)nc(=S)[n-]1	ZINC000137325956	355771375	/nfs/dbraw/zinc/77/13/75/355771375.db2.gz	VOSAYSUKSDUHLA-UHNVWZDZSA-N	-1	1	212.278	0.635	10	0		BCAEMM
O=C([O-])c1nnc2n1CCCN[C@H]2CCF	ZINC000675069740	538499558	/nfs/dbraw/zinc/49/95/58/538499558.db2.gz	XTRRMHMZAILLCS-LURJTMIESA-N	-1	1	228.227	0.370	10	0		BCAEMM
CCS(=O)(=O)[N-]c1nc(CN)cs1	ZINC000675073350	538505561	/nfs/dbraw/zinc/50/55/61/538505561.db2.gz	NLRYICGMVXHKTP-UHFFFAOYSA-N	-1	1	221.307	0.363	10	0		BCAEMM
Cc1ncc(CN2CC(C(=O)[O-])C2)s1	ZINC000070569728	361564542	/nfs/dbraw/zinc/56/45/42/361564542.db2.gz	PFHZWCNROBUEAQ-UHFFFAOYSA-N	-1	1	212.274	0.968	10	0		BCAEMM
CC(C)[C@@H]1CNCCN1C(=O)[C@@H]1C[C@H]1C(=O)[O-]	ZINC000630574368	364270955	/nfs/dbraw/zinc/27/09/55/364270955.db2.gz	GVZXWYDDEQCPHR-BBBLOLIVSA-N	-1	1	240.303	0.164	10	0		BCAEMM
COC(=O)c1cnc(-c2cccnn2)[n-]c1=O	ZINC000169083866	368352551	/nfs/dbraw/zinc/35/25/51/368352551.db2.gz	GBUSMGIYKYXHIA-UHFFFAOYSA-N	-1	1	232.199	0.426	10	0		BCAEMM
Nc1cc(=O)[n-]c(S[C@@H]2CCOC2)n1	ZINC000069623243	370964765	/nfs/dbraw/zinc/96/47/65/370964765.db2.gz	OJKCARWXADEEIY-RXMQYKEDSA-N	-1	1	213.262	0.233	10	0		BCAEMM
CC[N@H+]1CC[C@@H](C(=O)[O-])[C@@H](C(=O)[O-])C1	ZINC000225759416	371574918	/nfs/dbraw/zinc/57/49/18/371574918.db2.gz	ONJSPSWSEZPDLA-RQJHMYQMSA-N	-1	1	201.222	0.114	10	0		BCAEMM
Cc1cnc(Cl)nc1NCc1nn[n-]n1	ZINC000229296838	372138302	/nfs/dbraw/zinc/13/83/02/372138302.db2.gz	UXNSIYRWGOEINT-UHFFFAOYSA-N	-1	1	225.643	0.564	10	0		BCAEMM
COC(=O)[C@@H](C)n1c(N)n[n-]c1=S	ZINC000070883068	374224681	/nfs/dbraw/zinc/22/46/81/374224681.db2.gz	BCWOOZAYABJIKN-GSVOUGTGSA-N	-1	1	202.239	0.257	10	0		BCAEMM
O=c1nc([O-])nc(-c2cccs2)s1	ZINC000003612457	183008132	/nfs/dbraw/zinc/00/81/32/183008132.db2.gz	PKFXYXDJESXNIT-UHFFFAOYSA-N	-1	1	212.255	0.920	10	0		BCAEMM
CCCCc1c([C@@H](N)C(=O)[O-])cnn1O	ZINC000028713707	169018383	/nfs/dbraw/zinc/01/83/83/169018383.db2.gz	KDPDAFLQIXWRLG-MRVPVSSYSA-N	-1	1	213.237	0.547	10	0		BCAEMM
CCCCc1nc2c(O)[n-][nH]c(=O)c-2n1	ZINC000006419795	169027145	/nfs/dbraw/zinc/02/71/45/169027145.db2.gz	DQHJYYALMHIEAH-UHFFFAOYSA-N	-1	1	208.221	0.282	10	0	in-vivo	BCAEMM
S=c1[n-]ncn1CCN1CCOCC1	ZINC000020583506	183314920	/nfs/dbraw/zinc/31/49/20/183314920.db2.gz	GSDQCHJBARSIGB-UHFFFAOYSA-N	-1	1	214.294	0.273	10	0		BCAEMM
O=C([O-])CNC(=O)c1cccc2nc[nH]c21	ZINC000089195190	383942120	/nfs/dbraw/zinc/94/21/20/383942120.db2.gz	LJBHRBXKHVFXOL-UHFFFAOYSA-N	-1	1	219.200	0.377	10	0		BCAEMM
NNc1nc(-c2ccccn2)cc(=O)[n-]1	ZINC000072417252	384134175	/nfs/dbraw/zinc/13/41/75/384134175.db2.gz	GSUNBHMXVORMRQ-UHFFFAOYSA-N	-1	1	203.205	0.118	10	0		BCAEMM
C[N-]S(=O)(=O)c1ncccc1Cl	ZINC000095076007	384351410	/nfs/dbraw/zinc/35/14/10/384351410.db2.gz	PPONEZDXUXPXFQ-UHFFFAOYSA-N	-1	1	206.654	0.643	10	0		BCAEMM
O=C([O-])[C@H]1CCCN(Cc2cnccn2)C1	ZINC000095078008	384355705	/nfs/dbraw/zinc/35/57/05/384355705.db2.gz	LDSPEDYDZNIPRE-VIFPVBQESA-N	-1	1	221.260	0.773	10	0		BCAEMM
CO[N-]C(=O)[C@@H](Cc1ccccc1)N(C)C	ZINC000106456970	384917986	/nfs/dbraw/zinc/91/79/86/384917986.db2.gz	JFQXESMAHKAVPN-LLVKDONJSA-N	-1	1	222.288	0.837	10	0		BCAEMM
Nc1cnc(Nc2nccs2)[n-]c1=O	ZINC000165099160	385348742	/nfs/dbraw/zinc/34/87/42/385348742.db2.gz	ZPNSLTPOANIGCY-UHFFFAOYSA-N	-1	1	209.234	0.552	10	0		BCAEMM
O=Cc1cc(=O)[n-]c(-c2ccncn2)n1	ZINC000306812375	385805221	/nfs/dbraw/zinc/80/52/21/385805221.db2.gz	ZBLCKODUPWOABB-UHFFFAOYSA-N	-1	1	202.173	0.452	10	0		BCAEMM
O=C1[N-]C(=O)C(=C2CCS(=O)(=O)CC2)S1	ZINC000584623654	387502553	/nfs/dbraw/zinc/50/25/53/387502553.db2.gz	ZBQAEWONSZJBFE-UHFFFAOYSA-N	-1	1	247.297	0.432	10	0		BCAEMM
COC(=O)Cc1c(N)ccc([O-])c1[N+](=O)[O-]	ZINC000575641913	387846129	/nfs/dbraw/zinc/84/61/29/387846129.db2.gz	XNSVZCRWRNQLPC-UHFFFAOYSA-N	-1	1	226.188	0.598	10	0		BCAEMM
Cc1cc(C)c(C(=O)[O-])c(N2CCNC(=O)C2)n1	ZINC000037978342	132345813	/nfs/dbraw/zinc/34/58/13/132345813.db2.gz	ZUOXKZYVHLKZEW-UHFFFAOYSA-N	-1	1	249.270	0.333	10	0		BCAEMM
O=C([O-])C1=CC[C@H](NC(=O)C(F)(F)F)C1	ZINC000575460925	397945035	/nfs/dbraw/zinc/94/50/35/397945035.db2.gz	KOTOSMLZQOZRBC-YFKPBYRVSA-N	-1	1	223.150	0.838	10	0		BCAEMM
OCCN1c2ccccc2CC[C@H]1c1nn[n-]n1	ZINC000616671227	397917990	/nfs/dbraw/zinc/91/79/90/397917990.db2.gz	SQCLWRKAKNMILQ-NSHDSACASA-N	-1	1	245.286	0.686	10	0		BCAEMM
Cc1[nH]n(CC(C)C)c(=O)c1CC(=O)[O-]	ZINC000036905555	168134060	/nfs/dbraw/zinc/13/40/60/168134060.db2.gz	QISURKCELIVTKF-MRVPVSSYSA-N	-1	1	212.249	0.951	10	0		BCAEMM
CCCC[C@@H](NC(=O)c1cnn[nH]1)C(=O)[O-]	ZINC000070841926	411537597	/nfs/dbraw/zinc/53/75/97/411537597.db2.gz	DMRHXYOPJUPGMO-ZCFIWIBFSA-N	-1	1	226.236	0.178	10	0		BCAEMM
CC[N-]S(=O)(=O)c1c(F)cc(N)cc1F	ZINC000037928205	170136276	/nfs/dbraw/zinc/13/62/76/170136276.db2.gz	QHRXAAXMCFYSEZ-UHFFFAOYSA-N	-1	1	236.243	0.845	10	0		BCAEMM
CCOC(=O)c1c[n-]nc1OCOC	ZINC000039090727	170289845	/nfs/dbraw/zinc/28/98/45/170289845.db2.gz	CPMKZJRAWAYBOD-UHFFFAOYSA-N	-1	1	200.194	0.569	10	0		BCAEMM
CNC(=O)[C@H]1CCCCN1[C@@H](C(=O)[O-])C(C)C	ZINC000042423068	173305922	/nfs/dbraw/zinc/30/59/22/173305922.db2.gz	GDGFMFPQBDDXOT-NXEZZACHSA-N	-1	1	242.319	0.696	10	0		BCAEMM
COCCOCN1CCC(C(=O)[O-])CC1	ZINC000021952483	174360805	/nfs/dbraw/zinc/36/08/05/174360805.db2.gz	SXGMLCDKXMGIPR-UHFFFAOYSA-N	-1	1	217.265	0.404	10	0		BCAEMM
COc1ccc(-c2cc(=O)[nH][n-]2)cc1OC	ZINC000100127686	175085275	/nfs/dbraw/zinc/08/52/75/175085275.db2.gz	ZNCRCURPVQRXJF-UHFFFAOYSA-N	-1	1	220.228	0.928	10	0		BCAEMM
COc1ccc2occ(-c3nn[n-]n3)c(=O)c2c1	ZINC000039207915	175232004	/nfs/dbraw/zinc/23/20/04/175232004.db2.gz	SHYUITMLENOEDS-UHFFFAOYSA-N	-1	1	244.210	0.982	10	0		BCAEMM
COc1ccccc1Oc1nc(=O)[n-][nH]1	ZINC000090555395	175343052	/nfs/dbraw/zinc/34/30/52/175343052.db2.gz	POFJMCOBVBGOPW-UHFFFAOYSA-N	-1	1	207.189	0.899	10	0		BCAEMM
C[C@@H](NCC(=O)N1CCC[C@@H](C)C1)C(=O)[O-]	ZINC000035388531	176092231	/nfs/dbraw/zinc/09/22/31/176092231.db2.gz	XIRXMTXMAVPEJS-RKDXNWHRSA-N	-1	1	228.292	0.308	10	0		BCAEMM
C[C@H]1NC(=O)CC[C@@H]1NC(=O)c1cncc([O-])c1	ZINC000282706872	177393234	/nfs/dbraw/zinc/39/32/34/177393234.db2.gz	YDZVITITCGOWFX-XCBNKYQSSA-N	-1	1	249.270	0.184	10	0		BCAEMM
O=c1nc2nccnc2c(Br)[n-]1	ZINC000504287187	226341788	/nfs/dbraw/zinc/34/17/88/226341788.db2.gz	DHTXGJJYFYNHKB-UHFFFAOYSA-N	-1	1	227.021	0.476	10	0		BCAEMM
[NH3+][C@@H](C(=O)[O-])[C@H](O)c1ccc([O-])c(Cl)c1	ZINC000013347535	560214822	/nfs/dbraw/zinc/21/48/22/560214822.db2.gz	BACZBJKOFPGENQ-HTQZYQBOSA-N	-1	1	231.635	0.491	10	0	in-vitro	BCAEMM
Cc1ncc(CC[P@](=O)([O-])O)c(CO)c1O	ZINC000001721466	560184334	/nfs/dbraw/zinc/18/43/34/560184334.db2.gz	JWJVWJVYBWLXDN-UHFFFAOYSA-N	-1	1	247.187	0.308	10	0	in-vitro	BCAEMM
[NH3+][C@H](C(=O)[O-])[C@H](O)c1ccc([O-])c(Cl)c1	ZINC000013347527	560214738	/nfs/dbraw/zinc/21/47/38/560214738.db2.gz	BACZBJKOFPGENQ-JGVFFNPUSA-N	-1	1	231.635	0.491	10	0	in-vitro	BCAEMM
Nc1ccccc1C(=O)C=C(O)C(=O)[O-]	ZINC000030724120	571741947	/nfs/dbraw/zinc/74/19/47/571741947.db2.gz	CAOVWYZQMPNAFJ-UHFFFAOYSA-N	-1	1	207.185	0.495	10	0	endogenous,in-man	BCAEMM
CC(C)(C)c1nn2c(c1C(=O)[O-])CNCC2	ZINC000757172696	582551960	/nfs/dbraw/zinc/55/19/60/582551960.db2.gz	PXFFXWUAOFTLIG-UHFFFAOYSA-N	-1	1	223.276	0.982	10	0		BCAEMM
C[C@H](NC(=O)C1=COCCC1)c1cc(=O)[nH][n-]1	ZINC000898870594	584163458	/nfs/dbraw/zinc/16/34/58/584163458.db2.gz	WQFFJVUZTNOGRW-ZETCQYMHSA-N	-1	1	237.259	0.987	10	0		BCAEMM
CCOC(=O)c1n[n-]nc1-c1n[nH]cc1C	ZINC000260975662	585024392	/nfs/dbraw/zinc/02/43/92/585024392.db2.gz	OXCXMBPXJXUUKR-UHFFFAOYSA-N	-1	1	221.220	0.680	10	0		BCAEMM
CC1(C)CN[C@H](C(=O)[O-])O[C@@]12CCCOC2	ZINC000757139216	586427882	/nfs/dbraw/zinc/42/78/82/586427882.db2.gz	GHIKBCBNYRCZJH-GZMMTYOYSA-N	-1	1	229.276	0.592	10	0		BCAEMM
CC(C)c1nn2c(c1C(=O)[O-])CNCC2	ZINC000757172857	586433245	/nfs/dbraw/zinc/43/32/45/586433245.db2.gz	SOBYGEVLRIVUDK-UHFFFAOYSA-N	-1	1	209.249	0.808	10	0		BCAEMM
O=C([N-]OCc1ccccc1)[C@@H]1CNC(=O)C1	ZINC000110358238	588653699	/nfs/dbraw/zinc/65/36/99/588653699.db2.gz	IHIPGZODIOEHTO-JTQLQIEISA-N	-1	1	234.255	0.371	10	0		BCAEMM
O=C([C@@H]1CCCO1)N1CCC[C@@H]1c1nn[n-]n1	ZINC000095119918	635427679	/nfs/dbraw/zinc/42/76/79/635427679.db2.gz	XJLUZRBPARZGFX-SFYZADRCSA-N	-1	1	237.263	0.042	10	0		BCAEMM
Cc1cc(C(=O)N2CCC[C@@H]2c2nn[n-]n2)on1	ZINC000095321271	635446303	/nfs/dbraw/zinc/44/63/03/635446303.db2.gz	QXUQCVJNIFVDNM-SSDOTTSWSA-N	-1	1	248.246	0.473	10	0		BCAEMM
O=C([N-]OCCC(F)(F)F)[C@@H]1CNC(=O)C1	ZINC000162603185	634226744	/nfs/dbraw/zinc/22/67/44/634226744.db2.gz	NJPNTRUVIBEHPT-YFKPBYRVSA-N	-1	1	240.181	0.123	10	0		BCAEMM
CC[C@H](C)C(=O)N1CCC[C@@H]1c1nn[n-]n1	ZINC000095259278	635441029	/nfs/dbraw/zinc/44/10/29/635441029.db2.gz	KMDBDBQHWXDKES-JGVFFNPUSA-N	-1	1	223.280	0.909	10	0		BCAEMM
C[C@@H](O)[C@@H](C)NC(=O)c1cncc([O-])c1	ZINC000346471305	637145523	/nfs/dbraw/zinc/14/55/23/637145523.db2.gz	QYXLVFGZWKCHAX-RNFRBKRXSA-N	-1	1	210.233	0.286	10	0		BCAEMM
CCOCCO[N-]C(=O)[C@@H]1CCCO[C@H]1C	ZINC000190379505	641861527	/nfs/dbraw/zinc/86/15/27/641861527.db2.gz	YXDQHKFOEKYGBX-VHSXEESVSA-N	-1	1	231.292	0.886	10	0		BCAEMM
Nc1[nH]nc(C(=O)[O-])c1-c1ccccn1	ZINC000077297694	642361219	/nfs/dbraw/zinc/36/12/19/642361219.db2.gz	QIJDLBWVQJCWQB-UHFFFAOYSA-N	-1	1	204.189	0.752	10	0		BCAEMM
CCOCCO[N-]C(=O)[C@@H](C)COC	ZINC000184850481	643244618	/nfs/dbraw/zinc/24/46/18/643244618.db2.gz	NWXMFVGKPXDXEX-QMMMGPOBSA-N	-1	1	205.254	0.353	10	0		BCAEMM
O=C([N-][C@@H]1CCOC[C@@H]1O)C(F)(F)C(F)F	ZINC000706689712	711921628	/nfs/dbraw/zinc/92/16/28/711921628.db2.gz	ZPVAUNUIPDIUPM-UHNVWZDZSA-N	-1	1	245.172	0.153	10	0		BCAEMM
CCC[C@@H](N[C@@H](C)C(=O)NC1CC1)C(=O)[O-]	ZINC000036840045	712499516	/nfs/dbraw/zinc/49/95/16/712499516.db2.gz	KJTFSHGUYUQTTL-IONNQARKSA-N	-1	1	228.292	0.496	10	0		BCAEMM
CCC[C@H](NCC(=O)N[C@@H](C)C(C)C)C(=O)[O-]	ZINC000036840098	712500078	/nfs/dbraw/zinc/50/00/78/712500078.db2.gz	UPNBUIADJSOVGL-UWVGGRQHSA-N	-1	1	244.335	0.990	10	0		BCAEMM
CCC[C@H](NCC(=O)NC1CC1)C(=O)[O-]	ZINC000036839087	712500116	/nfs/dbraw/zinc/50/01/16/712500116.db2.gz	FTMTWZDHTLKSRK-QMMMGPOBSA-N	-1	1	214.265	0.108	10	0		BCAEMM
CCC[C@@H](N[C@H](C)C(=O)NC1CC1)C(=O)[O-]	ZINC000036840047	711726502	/nfs/dbraw/zinc/72/65/02/711726502.db2.gz	KJTFSHGUYUQTTL-VXNVDRBHSA-N	-1	1	228.292	0.496	10	0		BCAEMM
CCC[C@H](NCC(=O)N1CCCCC1)C(=O)[O-]	ZINC000036839418	712499822	/nfs/dbraw/zinc/49/98/22/712499822.db2.gz	YMPSQHXEGRUIDP-JTQLQIEISA-N	-1	1	242.319	0.842	10	0		BCAEMM
CCC[C@@H](NCC(=O)N[C@H](C)C(C)C)C(=O)[O-]	ZINC000036840101	712499998	/nfs/dbraw/zinc/49/99/98/712499998.db2.gz	UPNBUIADJSOVGL-NXEZZACHSA-N	-1	1	244.335	0.990	10	0		BCAEMM
O=C(COC1CC1)N1CCC[C@@H]1c1nn[n-]n1	ZINC000716894241	712580709	/nfs/dbraw/zinc/58/07/09/712580709.db2.gz	MRYVIOMSLJZJIZ-MRVPVSSYSA-N	-1	1	237.263	0.042	10	0		BCAEMM
CC[C@@H]1C[C@H]1C(=O)N1CCC[C@@H]1c1nn[n-]n1	ZINC000720638628	712859968	/nfs/dbraw/zinc/85/99/68/712859968.db2.gz	XKGMEMFOMXYPMY-IWSPIJDZSA-N	-1	1	235.291	0.909	10	0		BCAEMM
COCCCC(=O)N1CCC[C@@H]1c1nn[n-]n1	ZINC000720653513	712861272	/nfs/dbraw/zinc/86/12/72/712861272.db2.gz	GKJZDBUMFFJZCH-MRVPVSSYSA-N	-1	1	239.279	0.290	10	0		BCAEMM
CC[C@H]1CC[C@H](c2n[n-]nc2C(=O)[O-])[NH2+]1	ZINC000685953532	538897955	/nfs/dbraw/zinc/89/79/55/538897955.db2.gz	LLICZQZSZPXPCB-NTSWFWBYSA-N	-1	1	210.237	0.706	10	0		BCAEMM
CC1(C)CC[C@H](c2n[n-]nc2C(=O)[O-])[NH2+]1	ZINC000685953606	538898163	/nfs/dbraw/zinc/89/81/63/538898163.db2.gz	NDALHZDVQVYAHB-RXMQYKEDSA-N	-1	1	210.237	0.706	10	0		BCAEMM
O=C([O-])C(F)(F)CNC[C@@H]1CCOC1	ZINC000685957456	538904376	/nfs/dbraw/zinc/90/43/76/538904376.db2.gz	YMGZVGRMAZQPST-LURJTMIESA-N	-1	1	209.192	0.332	10	0		BCAEMM
CCOC(=O)c1[n-]nnc1[C@H]1CSCN1	ZINC000685952518	538896389	/nfs/dbraw/zinc/89/63/89/538896389.db2.gz	AEIXMLBSGKOWQA-RXMQYKEDSA-N	-1	1	228.277	0.316	10	0		BCAEMM
CCOC(=O)c1nn[n-]c1[C@H]1CSCN1	ZINC000685952518	538896390	/nfs/dbraw/zinc/89/63/90/538896390.db2.gz	AEIXMLBSGKOWQA-RXMQYKEDSA-N	-1	1	228.277	0.316	10	0		BCAEMM
CCOC(=O)c1n[n-]nc1[C@H]1CSCN1	ZINC000685952518	538896391	/nfs/dbraw/zinc/89/63/91/538896391.db2.gz	AEIXMLBSGKOWQA-RXMQYKEDSA-N	-1	1	228.277	0.316	10	0		BCAEMM
CCOC(=O)c1[n-]nnc1C(C)(C)OC	ZINC000685954348	538897510	/nfs/dbraw/zinc/89/75/10/538897510.db2.gz	RBIFSCVLLVCJTA-UHFFFAOYSA-N	-1	1	213.237	0.863	10	0		BCAEMM
CCOC(=O)c1nn[n-]c1C(C)(C)OC	ZINC000685954348	538897512	/nfs/dbraw/zinc/89/75/12/538897512.db2.gz	RBIFSCVLLVCJTA-UHFFFAOYSA-N	-1	1	213.237	0.863	10	0		BCAEMM
CCOC(=O)c1n[n-]nc1C(C)(C)OC	ZINC000685954348	538897513	/nfs/dbraw/zinc/89/75/13/538897513.db2.gz	RBIFSCVLLVCJTA-UHFFFAOYSA-N	-1	1	213.237	0.863	10	0		BCAEMM
Cc1cc(=O)[n-]c(-c2ccc[nH]c2=O)n1	ZINC000058827445	178201860	/nfs/dbraw/zinc/20/18/60/178201860.db2.gz	MZUPELREWVXJEO-UHFFFAOYSA-N	-1	1	203.201	0.846	10	0		BCAEMM
COC(=O)c1cnc(C2CSC2)[n-]c1=O	ZINC000404710523	538956591	/nfs/dbraw/zinc/95/65/91/538956591.db2.gz	DBXCQYKUFYDBQM-UHFFFAOYSA-N	-1	1	226.257	0.799	10	0		BCAEMM
C=CC(=O)N(CCCC)CC[P@](=O)([O-])O	ZINC000138037200	342747522	/nfs/dbraw/zinc/74/75/22/342747522.db2.gz	IOYFIXQRLYBQAG-UHFFFAOYSA-N	-1	1	235.220	0.979	10	0		BCAEMM
C[C@@H]1C[C@]2(CCO1)N[C@@H](C(=O)[O-])CS2	ZINC000226595182	342899347	/nfs/dbraw/zinc/89/93/47/342899347.db2.gz	CPBVJURWEIWICM-ZXFLCMHBSA-N	-1	1	217.290	0.671	10	0		BCAEMM
Cc1cc(=O)[n-]n1-c1ccc(O)cc1N	ZINC000021983120	343031962	/nfs/dbraw/zinc/03/19/62/343031962.db2.gz	ZQAZOVWITVCJFZ-UHFFFAOYSA-N	-1	1	205.217	0.762	10	0		BCAEMM
CCNc1ncc(C(=O)OCC)c(=O)[n-]1	ZINC000238259531	343252544	/nfs/dbraw/zinc/25/25/44/343252544.db2.gz	TZNUQPGWJQWQGN-UHFFFAOYSA-N	-1	1	211.221	0.791	10	0		BCAEMM
CCc1ccnc2c(-c3nnn[n-]3)cnn21	ZINC000034820047	343278937	/nfs/dbraw/zinc/27/89/37/343278937.db2.gz	IYKAQIZJHGUAKK-UHFFFAOYSA-N	-1	1	215.220	0.472	10	0		BCAEMM
CCc1ccnc2c(-c3nn[n-]n3)cnn21	ZINC000034820047	343278938	/nfs/dbraw/zinc/27/89/38/343278938.db2.gz	IYKAQIZJHGUAKK-UHFFFAOYSA-N	-1	1	215.220	0.472	10	0		BCAEMM
N[C@@H](c1nnn[n-]1)c1ccc(F)c(F)c1	ZINC000040397061	343401965	/nfs/dbraw/zinc/40/19/65/343401965.db2.gz	ZGXDCVWQTUZRCJ-SSDOTTSWSA-N	-1	1	211.175	0.526	10	0		BCAEMM
O=C([O-])c1ccc2c(O)cc(=O)[nH]c2c1	ZINC000045817422	343534997	/nfs/dbraw/zinc/53/49/97/343534997.db2.gz	WDTHBCPWLFEDMS-UHFFFAOYSA-N	-1	1	205.169	0.932	10	0		BCAEMM
CC(=O)N1CCN([C@H](C)CCC(=O)[O-])CC1	ZINC000084535087	187269408	/nfs/dbraw/zinc/26/94/08/187269408.db2.gz	GOOPWSTUFYBDCM-SECBINFHSA-N	-1	1	228.292	0.404	10	0		BCAEMM
CC[C@H](C)n1c([O-])c(F)c(=O)[nH]c1=O	ZINC000159060943	346999332	/nfs/dbraw/zinc/99/93/32/346999332.db2.gz	IHGFLXSKQKIFJC-BYPYZUCNSA-N	-1	1	202.185	0.352	10	0		BCAEMM
CCN(CC)Cc1nc(C(=O)[O-])cc(=O)[nH]1	ZINC000328331525	537829595	/nfs/dbraw/zinc/82/95/95/537829595.db2.gz	HSLAKNYTYNDPIQ-UHFFFAOYSA-N	-1	1	225.248	0.722	10	0		BCAEMM
Cn1nccc1Cn1c(=O)[n-][nH]c1=S	ZINC000070906150	343957549	/nfs/dbraw/zinc/95/75/49/343957549.db2.gz	MLXPMJPIMLKJEA-UHFFFAOYSA-N	-1	1	211.250	0.016	10	0		BCAEMM
Cc1n[n-]c(=S)n1[C@@H]1CCCNC1=O	ZINC000050396783	344682080	/nfs/dbraw/zinc/68/20/80/344682080.db2.gz	WGPBRHQKVADJHQ-ZCFIWIBFSA-N	-1	1	212.278	0.700	10	0		BCAEMM
COC(=O)Cc1c(C#N)cc([O-])cc1C=O	ZINC000396162719	344634749	/nfs/dbraw/zinc/63/47/49/344634749.db2.gz	QUSHGVUYPBJVIR-UHFFFAOYSA-N	-1	1	219.196	0.792	10	0		BCAEMM
C[N-]S(=O)(=O)c1occc1-c1cccnn1	ZINC000675054267	537893148	/nfs/dbraw/zinc/89/31/48/537893148.db2.gz	PHZNVGLKFNVEHN-UHFFFAOYSA-N	-1	1	239.256	0.645	10	0		BCAEMM
Nc1nc(=S)[n-]c(C2CCOCC2)n1	ZINC000137344070	345611114	/nfs/dbraw/zinc/61/11/14/345611114.db2.gz	MEBXLFQEGXGASE-UHFFFAOYSA-N	-1	1	212.278	0.637	10	0		BCAEMM
CCCC(=O)N1CCN([C@@H](C)C(=O)[O-])CC1	ZINC000020180604	168540631	/nfs/dbraw/zinc/54/06/31/168540631.db2.gz	JNDOONMAKKCDJJ-VIFPVBQESA-N	-1	1	228.292	0.404	10	0		BCAEMM
CN1CCN(n2cccc2C(=O)[O-])CC1	ZINC000149793920	346156524	/nfs/dbraw/zinc/15/65/24/346156524.db2.gz	AHHKSJQBDLCQCC-UHFFFAOYSA-N	-1	1	209.249	0.070	10	0		BCAEMM
O=C([N-]C[C@@H]1CC[C@H](O)C1)C(F)(F)F	ZINC000236568131	346251659	/nfs/dbraw/zinc/25/16/59/346251659.db2.gz	ODDHZBZZTGFOFJ-RITPCOANSA-N	-1	1	211.183	0.826	10	0		BCAEMM
Cc1nc(=NN2CCOCC2)s[n-]1	ZINC000148502182	346257188	/nfs/dbraw/zinc/25/71/88/346257188.db2.gz	UOZDZENMUZOPIN-UHFFFAOYSA-N	-1	1	200.267	0.506	10	0		BCAEMM
O=C([O-])C(F)(F)C1(O)CCN(C2CC2)CC1	ZINC000725241665	537982312	/nfs/dbraw/zinc/98/23/12/537982312.db2.gz	LNVZRUXIXJPXBT-UHFFFAOYSA-N	-1	1	235.230	0.696	10	0		BCAEMM
O=C(CO)[N-]C(=O)c1ccc(Cl)cc1	ZINC000036757664	347450311	/nfs/dbraw/zinc/45/03/11/347450311.db2.gz	ILUATGIUJFRRNN-UHFFFAOYSA-N	-1	1	213.620	0.589	10	0		BCAEMM
O=C(N[C@@H]1CCNC1=O)c1ccc([O-])cc1F	ZINC000616961198	347536075	/nfs/dbraw/zinc/53/60/75/347536075.db2.gz	UBUVDJHRLXFYCY-SECBINFHSA-N	-1	1	238.218	0.150	10	0		BCAEMM
N[N-]S(=O)(=O)c1cc(F)ccc1F	ZINC000036961743	347981202	/nfs/dbraw/zinc/98/12/02/347981202.db2.gz	IYHDTUODTDPAEJ-UHFFFAOYSA-N	-1	1	208.189	0.117	10	0		BCAEMM
CNc1ccnc2[nH]c(=O)c(C(=O)[O-])cc12	ZINC000221902747	348194466	/nfs/dbraw/zinc/19/44/66/348194466.db2.gz	AJFBHVCSSYWPTQ-UHFFFAOYSA-N	-1	1	219.200	0.663	10	0		BCAEMM
CC[C@H](C(=O)[O-])[N@H+]1C[C@H](C)OC[C@@H]1C	ZINC000037374541	348390912	/nfs/dbraw/zinc/39/09/12/348390912.db2.gz	XGRVNQWUEPFHCK-XHNCKOQMSA-N	-1	1	201.266	0.959	10	0		BCAEMM
NN=c1nnc(-c2ccc([N+](=O)[O-])cc2)c[n-]1	ZINC000216292057	349992871	/nfs/dbraw/zinc/99/28/71/349992871.db2.gz	SFNUKVMPXSEUOF-UHFFFAOYSA-N	-1	1	232.203	0.732	10	0		BCAEMM
Cc1nn2c(cc(Br)nc2=O)[n-]1	ZINC000082349699	180075999	/nfs/dbraw/zinc/07/59/99/180075999.db2.gz	PWIAPSHJDZARBO-UHFFFAOYSA-N	-1	1	229.037	0.489	10	0		BCAEMM
Cc1ncc2c(c1[O-])[C@H](N1CCOCC1)OC2	ZINC000038392660	180177223	/nfs/dbraw/zinc/17/72/23/180177223.db2.gz	WBUUALONSKFMFD-GFCCVEGCSA-N	-1	1	236.271	0.957	10	0		BCAEMM
Cc1cc(=O)c(C(N)=O)c(C(F)(F)F)[nH]1	ZINC000223366901	350274375	/nfs/dbraw/zinc/27/43/75/350274375.db2.gz	PGGCJVUZABWCJW-UHFFFAOYSA-N	-1	1	220.150	0.801	10	0		BCAEMM
O=C([O-])C[C@@H]1COCCN1[C@H]1CCSC1	ZINC000250868592	350886736	/nfs/dbraw/zinc/88/67/36/350886736.db2.gz	SAGQUBKVQXTSPU-DTWKUNHWSA-N	-1	1	231.317	0.667	10	0		BCAEMM
O=[S@@](Cc1nn[n-]n1)c1ccccc1F	ZINC000306809000	351062297	/nfs/dbraw/zinc/06/22/97/351062297.db2.gz	QSNHRBFOUNHKNZ-HNNXBMFYSA-N	-1	1	226.236	0.647	10	0		BCAEMM
CCOC(=O)N1CCC[C@H](c2nn[n-]n2)CC1	ZINC000616626888	351107123	/nfs/dbraw/zinc/10/71/23/351107123.db2.gz	DSLDTFHXZYAGLB-QMMMGPOBSA-N	-1	1	239.279	0.926	10	0		BCAEMM
CC(=O)N1CCCCC[C@H]1c1nn[n-]n1	ZINC000616622399	351086200	/nfs/dbraw/zinc/08/62/00/351086200.db2.gz	CRIKRIQGKACVRL-QMMMGPOBSA-N	-1	1	209.253	0.663	10	0		BCAEMM
CC(C)(C)N1CCO[C@H](c2nn[n-]n2)C1	ZINC000616646534	351171813	/nfs/dbraw/zinc/17/18/13/351171813.db2.gz	IMNNWBYEZNXWJW-ZETCQYMHSA-N	-1	1	211.269	0.372	10	0		BCAEMM
NC(=O)c1ccc([C@H]2CNCCN2C(=O)[O-])cc1	ZINC000616637150	351132682	/nfs/dbraw/zinc/13/26/82/351132682.db2.gz	UNBJRPBTFFRNSP-SNVBAGLBSA-N	-1	1	249.270	0.410	10	0		BCAEMM
Cc1ncc(C(=O)[O-])n1C[C@H]1CCOC1	ZINC000307347188	352102373	/nfs/dbraw/zinc/10/23/73/352102373.db2.gz	PXABSNKGWSNGOK-MRVPVSSYSA-N	-1	1	210.233	0.926	10	0		BCAEMM
NC(=O)N1CCC([N-]C(=O)C(F)(F)F)CC1	ZINC000307462857	352611953	/nfs/dbraw/zinc/61/19/53/352611953.db2.gz	BWDZRKGXLMHHCO-UHFFFAOYSA-N	-1	1	239.197	0.208	10	0		BCAEMM
O=c1[n-]c(=S)[nH]nc1Cc1ccc(O)cc1	ZINC000032501026	188255251	/nfs/dbraw/zinc/25/52/51/188255251.db2.gz	FHEOZBDBDVSFDR-UHFFFAOYSA-N	-1	1	235.268	0.750	10	0		BCAEMM
CC=CC=CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-]	ZINC000019505564	188281226	/nfs/dbraw/zinc/28/12/26/188281226.db2.gz	UUIZPOONDKPLRE-PQSAUHCHSA-N	-1	1	249.270	0.654	10	0		BCAEMM
Nc1nc(-c2cncnc2)nc(=S)[n-]1	ZINC000229822987	355419838	/nfs/dbraw/zinc/41/98/38/355419838.db2.gz	FHLNSWIUECGKQL-UHFFFAOYSA-N	-1	1	206.234	0.200	10	0		BCAEMM
C[C@@H]1OCC[C@@H]1c1nc(N)nc(=S)[n-]1	ZINC000137326001	355771419	/nfs/dbraw/zinc/77/14/19/355771419.db2.gz	VOSAYSUKSDUHLA-WHFBIAKZSA-N	-1	1	212.278	0.635	10	0		BCAEMM
Cn1cnc(S(=O)(=O)[N-]C2CC2)c1Cl	ZINC000035186414	355874330	/nfs/dbraw/zinc/87/43/30/355874330.db2.gz	SOGYBWDTFHRZFG-UHFFFAOYSA-N	-1	1	235.696	0.514	10	0		BCAEMM
NCc1nnn(C2CCCCC2)c1C(=O)[O-]	ZINC000675051324	538474618	/nfs/dbraw/zinc/47/46/18/538474618.db2.gz	GSRSGEJTWFKFDC-UHFFFAOYSA-N	-1	1	224.264	0.940	10	0		BCAEMM
O=C([O-])c1nnc2n1CCCNC21CCC1	ZINC000675070019	538499793	/nfs/dbraw/zinc/49/97/93/538499793.db2.gz	ZNUSCNLTRGTRAZ-UHFFFAOYSA-N	-1	1	222.248	0.349	10	0		BCAEMM
CC(C)S(=O)(=O)[N-]c1nc(CN)cs1	ZINC000675073912	538506391	/nfs/dbraw/zinc/50/63/91/538506391.db2.gz	VOMGYVAKUJFDNG-UHFFFAOYSA-N	-1	1	235.334	0.752	10	0		BCAEMM
CC1(C)OCc2c1n1nc[n-]c1nc2=O	ZINC000311836338	538535714	/nfs/dbraw/zinc/53/57/14/538535714.db2.gz	MPYGHISGDAWPDD-UHFFFAOYSA-N	-1	1	206.205	0.595	10	0		BCAEMM
COC(=O)c1n[n-]nc1-c1nccs1	ZINC000260946738	538854145	/nfs/dbraw/zinc/85/41/45/538854145.db2.gz	JSPJMSAYRMBWKU-UHFFFAOYSA-N	-1	1	210.218	0.715	10	0		BCAEMM
COC(=O)c1n[n-]nc1-c1coc(C)n1	ZINC000260982919	538854975	/nfs/dbraw/zinc/85/49/75/538854975.db2.gz	QONCARRHHZMJFS-UHFFFAOYSA-N	-1	1	208.177	0.555	10	0		BCAEMM
CCOC(=O)c1n[n-]nc1-c1coc(C)n1	ZINC000260957413	538855046	/nfs/dbraw/zinc/85/50/46/538855046.db2.gz	LMDOARULTNGAPC-UHFFFAOYSA-N	-1	1	222.204	0.945	10	0		BCAEMM
COC(=O)c1n[n-]nc1-c1n[nH]cc1C	ZINC000260962079	538855172	/nfs/dbraw/zinc/85/51/72/538855172.db2.gz	MHHBDYVWMXXUPV-UHFFFAOYSA-N	-1	1	207.193	0.290	10	0		BCAEMM
CCCn1cc(-c2c[n-]c(=NN)nn2)cn1	ZINC000584632385	358314840	/nfs/dbraw/zinc/31/48/40/358314840.db2.gz	BICJYUIAYNAEPH-UHFFFAOYSA-N	-1	1	219.252	0.431	10	0		BCAEMM
COC(=O)c1cnc(-c2ccncn2)[n-]1	ZINC000069638480	359689163	/nfs/dbraw/zinc/68/91/63/359689163.db2.gz	TZSSWCQFNMWOFK-UHFFFAOYSA-N	-1	1	204.189	0.653	10	0		BCAEMM
COC(=O)c1c[n-]c(-c2ccncn2)n1	ZINC000069638480	359689166	/nfs/dbraw/zinc/68/91/66/359689166.db2.gz	TZSSWCQFNMWOFK-UHFFFAOYSA-N	-1	1	204.189	0.653	10	0		BCAEMM
COC(=O)c1c[n-]c(-c2csnn2)n1	ZINC000306500929	360296039	/nfs/dbraw/zinc/29/60/39/360296039.db2.gz	PRDJIKBDLFPFCA-UHFFFAOYSA-N	-1	1	210.218	0.715	10	0		BCAEMM
Cn1[n-]c(=O)nc1S[C@@H]1CCCO1	ZINC000306533550	360394714	/nfs/dbraw/zinc/39/47/14/360394714.db2.gz	KGSSJCIIGDHYNV-RXMQYKEDSA-N	-1	1	201.251	0.337	10	0		BCAEMM
COCCc1ncc(C(=O)OC)c(=O)[n-]1	ZINC000259987265	541308671	/nfs/dbraw/zinc/30/86/71/541308671.db2.gz	ABTKZEOELBLFNL-UHFFFAOYSA-N	-1	1	212.205	0.158	10	0		BCAEMM
C[C@@H]1O[C@H](C(F)(F)F)CN[C@H]1C(=O)[O-]	ZINC000252661236	364750830	/nfs/dbraw/zinc/75/08/30/364750830.db2.gz	HTZNQTFJBBEYIT-VAYJURFESA-N	-1	1	213.155	0.379	10	0		BCAEMM
NC(=O)N1C[C@@H](c2nn[n-]n2)Nc2ccccc21	ZINC000616692678	369115575	/nfs/dbraw/zinc/11/55/75/369115575.db2.gz	LMDJRFZENPFBGL-ZETCQYMHSA-N	-1	1	245.246	0.252	10	0		BCAEMM
COC(=O)c1csc(=NN(C)C)[n-]1	ZINC000215164710	369118589	/nfs/dbraw/zinc/11/85/89/369118589.db2.gz	TVLPTQZGMFJULR-UHFFFAOYSA-N	-1	1	201.251	0.818	10	0		BCAEMM
CN1c2ccccc2NC[C@@H]1c1nn[n-]n1	ZINC000616691439	369113349	/nfs/dbraw/zinc/11/33/49/369113349.db2.gz	LTJKAWWEKIYQIK-SECBINFHSA-N	-1	1	216.248	0.803	10	0		BCAEMM
O=C(NC1CC(CO)C1)c1cncc([O-])c1	ZINC000620880897	370035691	/nfs/dbraw/zinc/03/56/91/370035691.db2.gz	ASESYXUYQVONJD-UHFFFAOYSA-N	-1	1	222.244	0.288	10	0		BCAEMM
CC(C)[N@H+]1CC[C@@H](C(=O)[O-])[C@@H](C(=O)[O-])C1	ZINC000225749137	371572109	/nfs/dbraw/zinc/57/21/09/371572109.db2.gz	RUYIPSHUKUKOLI-SFYZADRCSA-N	-1	1	215.249	0.502	10	0		BCAEMM
CC[N@H+]1CC[C@H](C(=O)[O-])[C@@H](C(=O)[O-])C1	ZINC000225759438	371574317	/nfs/dbraw/zinc/57/43/17/371574317.db2.gz	ONJSPSWSEZPDLA-BQBZGAKWSA-N	-1	1	201.222	0.114	10	0		BCAEMM
CO[N-]C(=O)CN1CCS[C@H](C)C1	ZINC000306147903	371991468	/nfs/dbraw/zinc/99/14/68/371991468.db2.gz	ADIRTKZQQXXPAN-SSDOTTSWSA-N	-1	1	204.295	0.101	10	0		BCAEMM
Cc1ccnc(N[C@H](C)CO)c1C(=O)[O-]	ZINC000133725461	372097756	/nfs/dbraw/zinc/09/77/56/372097756.db2.gz	IPLDVYHIWDCWPW-SSDOTTSWSA-N	-1	1	210.233	0.881	10	0		BCAEMM
NNc1nc(-c2cccnc2)cc(=O)[n-]1	ZINC000039633041	373013466	/nfs/dbraw/zinc/01/34/66/373013466.db2.gz	OXWAZGBAKXJRTN-UHFFFAOYSA-N	-1	1	203.205	0.118	10	0		BCAEMM
Nc1n[n-]c(=S)n1Cc1ccccn1	ZINC000070881217	374221333	/nfs/dbraw/zinc/22/13/33/374221333.db2.gz	RNSPTGAQYOGSCV-UHFFFAOYSA-N	-1	1	207.262	0.966	10	0		BCAEMM
O=C([N-][C@H]1CN2CCC1CC2)C(F)(F)F	ZINC000083927101	182342916	/nfs/dbraw/zinc/34/29/16/182342916.db2.gz	HTNMWFSLSVGLSJ-ZETCQYMHSA-N	-1	1	222.210	0.759	10	0		BCAEMM
CCCCc1c([C@H](N)C(=O)[O-])cnn1O	ZINC000028713708	169017696	/nfs/dbraw/zinc/01/76/96/169017696.db2.gz	KDPDAFLQIXWRLG-QMMMGPOBSA-N	-1	1	213.237	0.547	10	0		BCAEMM
CCC[C@H](N[C@H]1CCN(C(C)C)C1=O)C(=O)[O-]	ZINC000185053761	169513630	/nfs/dbraw/zinc/51/36/30/169513630.db2.gz	OUBIASUBPMLTII-UWVGGRQHSA-N	-1	1	242.319	0.839	10	0		BCAEMM
O=C1CNc2cc(S(=O)(=O)[O-])ccc21	ZINC000089203883	383946366	/nfs/dbraw/zinc/94/63/66/383946366.db2.gz	BXYFOHKMJPYWQV-UHFFFAOYSA-N	-1	1	213.214	0.542	10	0		BCAEMM
O=C([O-])[C@@H]1CCCN(Cc2cnccn2)C1	ZINC000095078009	384354713	/nfs/dbraw/zinc/35/47/13/384354713.db2.gz	LDSPEDYDZNIPRE-SECBINFHSA-N	-1	1	221.260	0.773	10	0		BCAEMM
O=C([O-])[C@H]1CNCCN1C(=O)c1ccsc1	ZINC000084022928	384827746	/nfs/dbraw/zinc/82/77/46/384827746.db2.gz	ZREJUCAENSNLBV-MRVPVSSYSA-N	-1	1	240.284	0.247	10	0		BCAEMM
CCC/C(=C\[C@@H]([NH3+])C(=O)[O-])C[P@](=O)([O-])O	ZINC000013888423	384971153	/nfs/dbraw/zinc/97/11/53/384971153.db2.gz	ZEFQYTSQDVUMEU-PTYLAXBQSA-N	-1	1	237.192	0.303	10	0	in-vitro	BCAEMM
O=c1oc2c(O)cccc2cc1-c1nn[n-]n1	ZINC000033868793	385271299	/nfs/dbraw/zinc/27/12/99/385271299.db2.gz	UOYJXGHNJLFTDE-UHFFFAOYSA-N	-1	1	230.183	0.679	10	0		BCAEMM
C[C@@H](C(F)F)n1c(=O)cc([O-])[nH]c1=O	ZINC000307016794	385835901	/nfs/dbraw/zinc/83/59/01/385835901.db2.gz	PIXGWJOHHBJCIK-VKHMYHEASA-N	-1	1	206.148	0.109	10	0		BCAEMM
NC(=O)c1cc(O)cc([O-])c1Br	ZINC000575685343	387370390	/nfs/dbraw/zinc/37/03/90/387370390.db2.gz	DROYOWNZSGJNLA-UHFFFAOYSA-N	-1	1	232.033	0.959	10	0		BCAEMM
O=C([N-]C[C@@]12C[C@@H]1COC2)C(F)(F)F	ZINC000575520375	387446924	/nfs/dbraw/zinc/44/69/24/387446924.db2.gz	MEYZADHMGQIEQO-IYSWYEEDSA-N	-1	1	209.167	0.701	10	0		BCAEMM
NS(=O)(=O)c1c(O)cc(F)cc1[S-]	ZINC000575705765	387410946	/nfs/dbraw/zinc/41/09/46/387410946.db2.gz	MXUAVCIUILBBET-UHFFFAOYSA-N	-1	1	223.250	0.467	10	0		BCAEMM
O=C(c1ncccc1[O-])N1CC(n2cccn2)C1	ZINC000375779299	387582181	/nfs/dbraw/zinc/58/21/81/387582181.db2.gz	UZTLKRWAEWJSNO-UHFFFAOYSA-N	-1	1	244.254	0.681	10	0		BCAEMM
COC(=O)c1c(N)cc([O-])cc1[N+](=O)[O-]	ZINC000575639415	387835253	/nfs/dbraw/zinc/83/52/53/387835253.db2.gz	IOCJQTYQRIBHOK-UHFFFAOYSA-N	-1	1	212.161	0.669	10	0		BCAEMM
O=C([O-])c1c[nH]n(Cc2ccccc2)c1=O	ZINC000133062621	388376697	/nfs/dbraw/zinc/37/66/97/388376697.db2.gz	NVPINFORLVBKFR-SECBINFHSA-N	-1	1	218.212	0.715	10	0		BCAEMM
O=C(Nc1cccc(F)c1[O-])[C@@H]1CNC(=O)C1	ZINC000530006499	388603695	/nfs/dbraw/zinc/60/36/95/388603695.db2.gz	PSUPAMTWODKMCI-LURJTMIESA-N	-1	1	238.218	0.606	10	0		BCAEMM
C[C@@H]1C[C@@H](O)CN(C(=O)c2cncc([O-])c2)C1	ZINC000401767829	533670573	/nfs/dbraw/zinc/67/05/73/533670573.db2.gz	VLNGGELSSWNNQK-LDYMZIIASA-N	-1	1	236.271	0.630	10	0		BCAEMM
Cc1cc(C(=O)N2CCC[C@]2(C)C(=O)[O-])n[nH]1	ZINC000079480113	135322495	/nfs/dbraw/zinc/32/24/95/135322495.db2.gz	SNYWHKSIJLKFLU-LLVKDONJSA-N	-1	1	237.259	0.797	10	0		BCAEMM
O=C([O-])[C@@H]1CC[C@@H](CN2CCSCC2)O1	ZINC000051395217	398048294	/nfs/dbraw/zinc/04/82/94/398048294.db2.gz	JAKRTQFDXAWJNP-IUCAKERBSA-N	-1	1	231.317	0.667	10	0		BCAEMM
Cc1[nH]n(-c2ccncc2)c(=O)c1CC(=O)[O-]	ZINC000102361992	168135436	/nfs/dbraw/zinc/13/54/36/168135436.db2.gz	PLORMQOECIJDNB-SECBINFHSA-N	-1	1	233.227	0.895	10	0		BCAEMM
CCC(=O)N1CCN(CCC(=O)[O-])CC1	ZINC000035680929	168220821	/nfs/dbraw/zinc/22/08/21/168220821.db2.gz	RPIIWAPLQWNSFY-UHFFFAOYSA-N	-1	1	214.265	0.015	10	0		BCAEMM
CCNCc1nc(CC(=O)[O-])cs1	ZINC000049812147	170131825	/nfs/dbraw/zinc/13/18/25/170131825.db2.gz	LHYXIQRIPYVKOD-UHFFFAOYSA-N	-1	1	200.263	0.880	10	0		BCAEMM
CCc1[n-]n(-c2ccc(N)nc2)c(=O)c1F	ZINC000584880409	411895237	/nfs/dbraw/zinc/89/52/37/411895237.db2.gz	YZTSVHKWEBUPLB-VIFPVBQESA-N	-1	1	222.223	1.115	10	0		BCAEMM
CN1CCCN(C(=O)C2(C(=O)[O-])CC2)CC1	ZINC000050289522	173011892	/nfs/dbraw/zinc/01/18/92/173011892.db2.gz	BMMDNSHQYKYENL-UHFFFAOYSA-N	-1	1	226.276	0.015	10	0		BCAEMM
CN1CCC[C@H](NC(=O)C2(C(=O)[O-])CC2)C1	ZINC000050291363	173043379	/nfs/dbraw/zinc/04/33/79/173043379.db2.gz	BQKUDZBGTIRXGA-QMMMGPOBSA-N	-1	1	226.276	0.062	10	0		BCAEMM
COc1ccc(-n2nc(C(=O)[O-])[nH]c2=O)cc1	ZINC000020272442	175044952	/nfs/dbraw/zinc/04/49/52/175044952.db2.gz	ZIQNBVZKZRXORC-UHFFFAOYSA-N	-1	1	235.199	0.680	10	0		BCAEMM
C[C@@H]1CCC[C@@H](NC(=O)CNCC(=O)[O-])[C@@H]1C	ZINC000035385498	176121790	/nfs/dbraw/zinc/12/17/90/176121790.db2.gz	QUHODSNDYRGWSF-OPRDCNLKSA-N	-1	1	242.319	0.602	10	0		BCAEMM
C[C@H]1[C@H](NC(=O)CNCC(=O)[O-])CCC[C@@H]1C	ZINC000035385500	177121681	/nfs/dbraw/zinc/12/16/81/177121681.db2.gz	QUHODSNDYRGWSF-IVZWLZJFSA-N	-1	1	242.319	0.602	10	0		BCAEMM
C[C@H](NCC(=O)N1C[C@@H](C)C[C@H](C)C1)C(=O)[O-]	ZINC000035388395	177357529	/nfs/dbraw/zinc/35/75/29/177357529.db2.gz	PNIWOZXMSXZNMR-GUBZILKMSA-N	-1	1	242.319	0.554	10	0		BCAEMM
C[C@H]1C[C@H]1C(=O)N1CCN(CCC(=O)[O-])CC1	ZINC000035687018	177376514	/nfs/dbraw/zinc/37/65/14/177376514.db2.gz	WLIMYKUYTUAJAG-VHSXEESVSA-N	-1	1	240.303	0.261	10	0		BCAEMM
C[C@@H]1CCC[C@H]1C(=O)NCc1nn[n-]n1	ZINC000230172158	491127921	/nfs/dbraw/zinc/12/79/21/491127921.db2.gz	QGDYALVDDHGTIL-RNFRBKRXSA-N	-1	1	209.253	0.252	10	0		BCAEMM
CC1(C)CN[C@H](C(=O)[O-])O[C@]12CCOC2	ZINC000757139812	582520150	/nfs/dbraw/zinc/52/01/50/582520150.db2.gz	HMEJYVXSHXWOCN-XVKPBYJWSA-N	-1	1	215.249	0.202	10	0		BCAEMM
CN(C)CC(=O)N[C@@H]1CC[C@H](CC(=O)[O-])C1	ZINC000393389309	582536767	/nfs/dbraw/zinc/53/67/67/582536767.db2.gz	AJLDXSSCSSBSGM-DTWKUNHWSA-N	-1	1	228.292	0.308	10	0		BCAEMM
CO[C@@H](C)C(=O)N[C@H](C)c1cc(=O)[nH][n-]1	ZINC000898867672	584162694	/nfs/dbraw/zinc/16/26/94/584162694.db2.gz	BQUKYZNEPHHEGA-RITPCOANSA-N	-1	1	213.237	0.327	10	0		BCAEMM
COCCC(=O)N[C@H](C)c1cc(=O)[nH][n-]1	ZINC000898869989	584162948	/nfs/dbraw/zinc/16/29/48/584162948.db2.gz	RRZAGKWCKVLBFW-ZCFIWIBFSA-N	-1	1	213.237	0.329	10	0		BCAEMM
Cc1cc[nH]c1C(=O)N1CCC[C@@H]1c1nn[n-]n1	ZINC000900397422	584302154	/nfs/dbraw/zinc/30/21/54/584302154.db2.gz	VDPJURPVZRAIMQ-MRVPVSSYSA-N	-1	1	246.274	0.814	10	0		BCAEMM
O=c1nc2[n-]cnn2c2c1CCCCC2	ZINC000129030973	584907428	/nfs/dbraw/zinc/90/74/28/584907428.db2.gz	POTIEWOMLZCODJ-UHFFFAOYSA-N	-1	1	204.233	0.687	10	0		BCAEMM
Cc1cc(C(=O)N2CCC[C@H]2c2nn[n-]n2)on1	ZINC000095321272	635446735	/nfs/dbraw/zinc/44/67/35/635446735.db2.gz	QXUQCVJNIFVDNM-ZETCQYMHSA-N	-1	1	248.246	0.473	10	0		BCAEMM
CN1CCN(C(=O)[C@H]2C[C@H]2C(=O)[O-])CC1(C)C	ZINC000250791952	635701343	/nfs/dbraw/zinc/70/13/43/635701343.db2.gz	JONHGJOKGVYOFG-DTWKUNHWSA-N	-1	1	240.303	0.260	10	0		BCAEMM
COC[C@@H](C)C(=O)[N-]OC[C@H]1CCOC1	ZINC000189253219	634175611	/nfs/dbraw/zinc/17/56/11/634175611.db2.gz	PBXYZSZXODTCFI-BDAKNGLRSA-N	-1	1	217.265	0.353	10	0		BCAEMM
O=C(c1cccnc1)N1CCC[C@H]1c1nn[n-]n1	ZINC000095146879	641597885	/nfs/dbraw/zinc/59/78/85/641597885.db2.gz	IRJCYMKSSHIUNP-VIFPVBQESA-N	-1	1	244.258	0.572	10	0		BCAEMM
O=C(c1cccnc1)N1CCC[C@@H]1c1nn[n-]n1	ZINC000095146878	641599022	/nfs/dbraw/zinc/59/90/22/641599022.db2.gz	IRJCYMKSSHIUNP-SECBINFHSA-N	-1	1	244.258	0.572	10	0		BCAEMM
C[C@@H]1OCCC[C@H]1C(=O)[N-]OC[C@@H]1CCOC1	ZINC000190885357	641894095	/nfs/dbraw/zinc/89/40/95/641894095.db2.gz	ACVFREAMCIJDOK-HBNTYKKESA-N	-1	1	243.303	0.886	10	0		BCAEMM
CCOCCO[N-]C(=O)[C@H](C)COC	ZINC000184850498	643244928	/nfs/dbraw/zinc/24/49/28/643244928.db2.gz	NWXMFVGKPXDXEX-MRVPVSSYSA-N	-1	1	205.254	0.353	10	0		BCAEMM
C[C@]1(C(=O)[O-])CCCN1C(=O)c1cnc[nH]1	ZINC000084377403	643659240	/nfs/dbraw/zinc/65/92/40/643659240.db2.gz	RMEVUOXPBANSDP-SNVBAGLBSA-N	-1	1	223.232	0.489	10	0		BCAEMM
Nc1n[n-]c(S(=O)(=O)C2CCCC2)n1	ZINC000085343332	644441449	/nfs/dbraw/zinc/44/14/49/644441449.db2.gz	SCCVXTRYVQRGIT-UHFFFAOYSA-N	-1	1	216.266	0.103	10	0		BCAEMM
Nc1nc(S(=O)(=O)C2CCCC2)n[n-]1	ZINC000085343332	644441453	/nfs/dbraw/zinc/44/14/53/644441453.db2.gz	SCCVXTRYVQRGIT-UHFFFAOYSA-N	-1	1	216.266	0.103	10	0		BCAEMM
Nc1n[n-]c(S(=O)(=O)C2CCCCC2)n1	ZINC000085343335	644441873	/nfs/dbraw/zinc/44/18/73/644441873.db2.gz	IZHIGJCSAUKWLZ-UHFFFAOYSA-N	-1	1	230.293	0.493	10	0		BCAEMM
Nc1nc(S(=O)(=O)C2CCCCC2)n[n-]1	ZINC000085343335	644441877	/nfs/dbraw/zinc/44/18/77/644441877.db2.gz	IZHIGJCSAUKWLZ-UHFFFAOYSA-N	-1	1	230.293	0.493	10	0		BCAEMM
C[C@H](C(N)=O)N(C)C(=O)c1cc(F)ccc1[O-]	ZINC000711062686	712277180	/nfs/dbraw/zinc/27/71/80/712277180.db2.gz	PNTZLSUJJYQESL-ZCFIWIBFSA-N	-1	1	240.234	0.477	10	0		BCAEMM
CCC[C@@H](NCC(=O)NC1CC1)C(=O)[O-]	ZINC000036839089	712500086	/nfs/dbraw/zinc/50/00/86/712500086.db2.gz	FTMTWZDHTLKSRK-MRVPVSSYSA-N	-1	1	214.265	0.108	10	0		BCAEMM
Cc1cc(C(=O)N2CCC[C@@H]2c2nn[n-]n2)[nH]n1	ZINC000716653633	712568952	/nfs/dbraw/zinc/56/89/52/712568952.db2.gz	APFZYPPMZCSLON-MRVPVSSYSA-N	-1	1	247.262	0.209	10	0		BCAEMM
O=S(=O)([N-]C1CC(CO)C1)c1ccns1	ZINC000717663092	712663706	/nfs/dbraw/zinc/66/37/06/712663706.db2.gz	MYKCKQJVPGPRGZ-UHFFFAOYSA-N	-1	1	248.329	0.192	10	0		BCAEMM
COC[C@H](C)CNCC(F)(F)C(=O)[O-]	ZINC000685957290	538904290	/nfs/dbraw/zinc/90/42/90/538904290.db2.gz	PQXZRUHNDNPJJD-ZCFIWIBFSA-N	-1	1	211.208	0.578	10	0		BCAEMM
Cc1cc(N[C@@H](C)c2nn[n-]n2)ncn1	ZINC000044931258	178180585	/nfs/dbraw/zinc/18/05/85/178180585.db2.gz	MRNQUZKOJVVFGK-LURJTMIESA-N	-1	1	205.225	0.471	10	0		BCAEMM
COCCC(=O)C1=C([O-])CCCCC1=O	ZINC000230796576	538951361	/nfs/dbraw/zinc/95/13/61/538951361.db2.gz	MMEDJTSFMFTJNZ-UHFFFAOYSA-N	-1	1	212.245	0.920	10	0		BCAEMM
Cn1ccc(-c2nc(N)[n-]c(=S)n2)n1	ZINC000231929712	538953456	/nfs/dbraw/zinc/95/34/56/538953456.db2.gz	RGBJIXVUZSZUDX-UHFFFAOYSA-N	-1	1	208.250	0.143	10	0		BCAEMM
CCC[C@H](NCC(=O)N(CC)CC)C(=O)[O-]	ZINC000036839055	398294610	/nfs/dbraw/zinc/29/46/10/398294610.db2.gz	OQXWJKIDPDSOLP-VIFPVBQESA-N	-1	1	230.308	0.698	10	0		BCAEMM
O=S(=O)([N-]c1cc[nH]n1)N1CCCC1	ZINC000042414669	361999235	/nfs/dbraw/zinc/99/92/35/361999235.db2.gz	PCTRQHBMYXEOSV-UHFFFAOYSA-N	-1	1	216.266	0.162	10	0		BCAEMM
Cc1[n-]n(-c2cncc(N)c2)c(=O)c1F	ZINC000584880412	343080746	/nfs/dbraw/zinc/08/07/46/343080746.db2.gz	ZRVBHBURXOWTHZ-MRVPVSSYSA-N	-1	1	208.196	0.724	10	0		BCAEMM
COc1ccc([C@@H](N)c2nnn[n-]2)c(OC)c1	ZINC000019729483	187252961	/nfs/dbraw/zinc/25/29/61/187252961.db2.gz	XIMBMPDAHGAZMW-SECBINFHSA-N	-1	1	235.247	0.265	10	0		BCAEMM
COc1ccc([C@@H](N)c2nn[n-]n2)c(OC)c1	ZINC000019729483	187252963	/nfs/dbraw/zinc/25/29/63/187252963.db2.gz	XIMBMPDAHGAZMW-SECBINFHSA-N	-1	1	235.247	0.265	10	0		BCAEMM
CCOC(=O)N1CCO[C@@H](c2nn[n-]n2)CC1	ZINC000616666353	343533845	/nfs/dbraw/zinc/53/38/45/343533845.db2.gz	PHHRDUJNLMDOMH-SSDOTTSWSA-N	-1	1	241.251	0.120	10	0		BCAEMM
O=C([O-])C(=O)c1nc2c(s1)CNCC2	ZINC000075866028	187278770	/nfs/dbraw/zinc/27/87/70/187278770.db2.gz	SIWNUPJDYBPPDG-UHFFFAOYSA-N	-1	1	212.230	0.056	10	0		BCAEMM
O=C([O-])[C@H]1[C@H](O)CCN1Cc1ccccc1	ZINC000076648778	187279916	/nfs/dbraw/zinc/27/99/16/187279916.db2.gz	NMFSENWRAKBHIW-GHMZBOCLSA-N	-1	1	221.256	0.706	10	0		BCAEMM
CN(CCO)C(=O)c1cc(Cl)c(N)cc1[O-]	ZINC000215532841	344128658	/nfs/dbraw/zinc/12/86/58/344128658.db2.gz	PVQXOIQSOFFKSX-UHFFFAOYSA-N	-1	1	244.678	0.692	10	0		BCAEMM
COC(=O)c1c(C#N)ccc(C=O)c1[O-]	ZINC000396137486	344614215	/nfs/dbraw/zinc/61/42/15/344614215.db2.gz	OWIKCANVMTVQPU-UHFFFAOYSA-N	-1	1	205.169	0.863	10	0		BCAEMM
C[C@H]1C[C@H](n2nn[n-]c2=S)CCN1C	ZINC000158718428	344731267	/nfs/dbraw/zinc/73/12/67/344731267.db2.gz	XRSCNRLHPJIHRH-NKWVEPMBSA-N	-1	1	213.310	0.617	10	0		BCAEMM
COC(=O)c1cnc([C@@H]2CCOC2)[n-]c1=O	ZINC000300956087	537871480	/nfs/dbraw/zinc/87/14/80/537871480.db2.gz	USEUKLINNPRCIQ-ZCFIWIBFSA-N	-1	1	224.216	0.473	10	0		BCAEMM
C/C=C/C(=O)N1CCN([C@H](C)C(=O)[O-])CC1	ZINC000051639263	187299396	/nfs/dbraw/zinc/29/93/96/187299396.db2.gz	AYLMEHNLTRMASB-CDAZIORVSA-N	-1	1	226.276	0.180	10	0		BCAEMM
C[C@](N)(C(=O)[O-])c1ccc(Cl)cn1	ZINC000238488039	345061716	/nfs/dbraw/zinc/06/17/16/345061716.db2.gz	MIWKBBZNMUZXGX-MRVPVSSYSA-N	-1	1	200.625	0.994	10	0		BCAEMM
O=C([O-])c1noc(C23CCN(CC2)C3)n1	ZINC000720861532	537887958	/nfs/dbraw/zinc/88/79/58/537887958.db2.gz	MBLSOFAIBWIQNP-UHFFFAOYSA-N	-1	1	209.205	0.115	10	0		BCAEMM
Cc1n[n-]c(=S)n1CC(=O)NC1CC1	ZINC000036782608	347621155	/nfs/dbraw/zinc/62/11/55/347621155.db2.gz	AZRONNQMEFQUOH-UHFFFAOYSA-N	-1	1	212.278	0.528	10	0		BCAEMM
O=C([O-])[C@H]1CSCN1C(=O)c1cc[nH]n1	ZINC000037454730	348602665	/nfs/dbraw/zinc/60/26/65/348602665.db2.gz	YXHYUPNYCIGWDV-ZCFIWIBFSA-N	-1	1	227.245	0.009	10	0		BCAEMM
O=c1nc(O)c(=O)[n-]n1CCCc1ccccc1	ZINC000143758834	350053140	/nfs/dbraw/zinc/05/31/40/350053140.db2.gz	AFZTWLMBURQCEB-UHFFFAOYSA-N	-1	1	247.254	0.270	10	0		BCAEMM
Cc1ncc(/C=C/[P@](=O)([O-])O)c(CO)c1O	ZINC000016925333	180123253	/nfs/dbraw/zinc/12/32/53/180123253.db2.gz	DEAVFBYTYRIWQV-NSCUHMNNSA-N	-1	1	245.171	0.736	10	0		BCAEMM
Cc1nccc(CN[C@@H](C)c2nn[n-]n2)n1	ZINC000054790881	180190807	/nfs/dbraw/zinc/19/08/07/180190807.db2.gz	GIPRSSAEGWKUAT-LURJTMIESA-N	-1	1	219.252	0.149	10	0		BCAEMM
Cc1nccc(N[C@@H](C)c2nn[n-]n2)n1	ZINC000054936387	180202035	/nfs/dbraw/zinc/20/20/35/180202035.db2.gz	WNGLAZWIPMBYEA-YFKPBYRVSA-N	-1	1	205.225	0.471	10	0		BCAEMM
O=C([O-])C[C@@H]1COCCN1[C@@H]1CCSC1	ZINC000227123051	350482949	/nfs/dbraw/zinc/48/29/49/350482949.db2.gz	SAGQUBKVQXTSPU-RKDXNWHRSA-N	-1	1	231.317	0.667	10	0		BCAEMM
CC(=O)N1CCC[C@H](c2nn[n-]n2)CC1	ZINC000616629606	351100712	/nfs/dbraw/zinc/10/07/12/351100712.db2.gz	SHUYMEPCEBFQHB-QMMMGPOBSA-N	-1	1	209.253	0.316	10	0		BCAEMM
Nc1cccc([C@@H]2CNCCN2C(=O)[O-])c1	ZINC000616636240	351123745	/nfs/dbraw/zinc/12/37/45/351123745.db2.gz	SRJOSTWXPMQYOD-JTQLQIEISA-N	-1	1	221.260	0.893	10	0		BCAEMM
CC(=O)N1CCCCC[C@@H]1c1nn[n-]n1	ZINC000616623267	351088129	/nfs/dbraw/zinc/08/81/29/351088129.db2.gz	CRIKRIQGKACVRL-MRVPVSSYSA-N	-1	1	209.253	0.663	10	0		BCAEMM
O=C([O-])[C@@H]1CS[C@@H]([C@H]2CCOC2)N1	ZINC000034717555	351090142	/nfs/dbraw/zinc/09/01/42/351090142.db2.gz	JNDVBUWGWNJCBW-ACZMJKKPSA-N	-1	1	203.263	0.139	10	0		BCAEMM
CC(C)(C)N1CCOC[C@H]1c1nn[n-]n1	ZINC000616641624	351149814	/nfs/dbraw/zinc/14/98/14/351149814.db2.gz	LOXWSWKGIDWDPY-ZETCQYMHSA-N	-1	1	211.269	0.372	10	0		BCAEMM
C[C@H]1CSC[C@H]1n1c(=O)[n-][nH]c1=S	ZINC000306850253	351159956	/nfs/dbraw/zinc/15/99/56/351159956.db2.gz	ONMAQLDCWNJMNN-CRCLSJGQSA-N	-1	1	217.319	0.784	10	0		BCAEMM
OCCN1C[C@@H](c2nn[n-]n2)Nc2ccccc21	ZINC000616680358	351247028	/nfs/dbraw/zinc/24/70/28/351247028.db2.gz	COLANWFIMVEVQJ-VIFPVBQESA-N	-1	1	246.274	0.165	10	0		BCAEMM
Cc1nnc(Cn2nccc2C(=O)[O-])[nH]1	ZINC000307034499	351433967	/nfs/dbraw/zinc/43/39/67/351433967.db2.gz	MUTATHLPRDXMQK-UHFFFAOYSA-N	-1	1	207.193	0.056	10	0		BCAEMM
NC(=O)c1cc([O-])cnc1C(F)(F)F	ZINC000307074800	351464611	/nfs/dbraw/zinc/46/46/11/351464611.db2.gz	BHVQZMJLABMMGH-UHFFFAOYSA-N	-1	1	206.123	0.905	10	0		BCAEMM
NC(=O)c1ncc([O-])cc1C(F)(F)F	ZINC000306524305	353021716	/nfs/dbraw/zinc/02/17/16/353021716.db2.gz	ABFVRSATOZLROA-UHFFFAOYSA-N	-1	1	206.123	0.905	10	0		BCAEMM
COc1cn2nc(C3CC3)[n-]c2nc1=O	ZINC000309052049	538110182	/nfs/dbraw/zinc/11/01/82/538110182.db2.gz	QGYWXEKHPOEAOT-UHFFFAOYSA-N	-1	1	206.205	0.716	10	0		BCAEMM
COc1ccc(Cc2ncc(N)c(=O)[n-]2)cc1	ZINC000020387904	188253608	/nfs/dbraw/zinc/25/36/08/188253608.db2.gz	JIPNHSFNZLWQCT-UHFFFAOYSA-N	-1	1	231.255	0.952	10	0		BCAEMM
Nc1cccc([C@H](O)[P@](=O)([O-])O)c1	ZINC000026289916	188283095	/nfs/dbraw/zinc/28/30/95/188283095.db2.gz	RKWBURPMONKYLY-SSDOTTSWSA-N	-1	1	203.134	0.437	10	0		BCAEMM
Nc1ccc2[nH]ncc2c1S(=O)(=O)[O-]	ZINC000089196610	188318241	/nfs/dbraw/zinc/31/82/41/188318241.db2.gz	BIQFWBMXZZZZRU-UHFFFAOYSA-N	-1	1	213.218	0.392	10	0		BCAEMM
Nc1c(C(=O)[O-])cnn1-c1ccncc1	ZINC000137317278	355692980	/nfs/dbraw/zinc/69/29/80/355692980.db2.gz	VGTMWUYUCAKQQS-UHFFFAOYSA-N	-1	1	204.189	0.548	10	0		BCAEMM
Nc1nc(-c2cnns2)nc(=S)[n-]1	ZINC000137337361	355795391	/nfs/dbraw/zinc/79/53/91/355795391.db2.gz	IXBYDLNCGSJXOI-UHFFFAOYSA-N	-1	1	212.263	0.261	10	0		BCAEMM
C[C@H](O)[C@@H](N)c1nc2cc(C(=O)[O-])ccc2[nH]1	ZINC000675056379	538478330	/nfs/dbraw/zinc/47/83/30/538478330.db2.gz	OVLAYJRNVGZGHF-SSDLBLMSSA-N	-1	1	235.243	0.642	10	0		BCAEMM
CCc1cc(=O)n2nc(C(=O)[O-])cc2[nH]1	ZINC000084303740	538529309	/nfs/dbraw/zinc/52/93/09/538529309.db2.gz	BJAARILZCIJOGU-UHFFFAOYSA-N	-1	1	207.189	0.283	10	0		BCAEMM
CCOC(=O)c1n[n-]nc1-c1ocnc1C	ZINC000260896777	538854245	/nfs/dbraw/zinc/85/42/45/538854245.db2.gz	CIMDZDZRKBGGNR-UHFFFAOYSA-N	-1	1	222.204	0.945	10	0		BCAEMM
CCOC(=O)c1n[n-]nc1-c1cocn1	ZINC000260909140	538854439	/nfs/dbraw/zinc/85/44/39/538854439.db2.gz	DUJSOSJKNFYRHN-UHFFFAOYSA-N	-1	1	208.177	0.636	10	0		BCAEMM
C[C@@H]1CCC[C@@H]1C(=O)NCc1nn[n-]n1	ZINC000230172147	491127914	/nfs/dbraw/zinc/12/79/14/491127914.db2.gz	QGDYALVDDHGTIL-RQJHMYQMSA-N	-1	1	209.253	0.252	10	0		BCAEMM
C[C@H]1CC[C@H](CSc2nnn[n-]2)O1	ZINC000306218694	359337062	/nfs/dbraw/zinc/33/70/62/359337062.db2.gz	LRUONZYRCCQYLH-NTSWFWBYSA-N	-1	1	200.267	0.859	10	0		BCAEMM
C[C@H]1CC[C@H](CSc2nn[n-]n2)O1	ZINC000306218694	359337067	/nfs/dbraw/zinc/33/70/67/359337067.db2.gz	LRUONZYRCCQYLH-NTSWFWBYSA-N	-1	1	200.267	0.859	10	0		BCAEMM
CC(C)(C)[N-]S(=O)(=O)c1nnc(N)s1	ZINC000041270791	360004140	/nfs/dbraw/zinc/00/41/40/360004140.db2.gz	SWCNYBXXSVFQRM-UHFFFAOYSA-N	-1	1	236.322	0.197	10	0		BCAEMM
O=C1CN[C@H](c2ccc([O-])c(Cl)c2)N1	ZINC000306612661	360883534	/nfs/dbraw/zinc/88/35/34/360883534.db2.gz	JBRXNRVWFLALLA-VIFPVBQESA-N	-1	1	212.636	0.764	10	0		BCAEMM
NCC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1	ZINC000037046883	181355794	/nfs/dbraw/zinc/35/57/94/181355794.db2.gz	WMIIMQRGLJJNTQ-UHFFFAOYSA-N	-1	1	228.635	0.935	10	0		BCAEMM
O=c1ccnc(S[C@H]2CCC[C@H]2O)[n-]1	ZINC000037696956	364531206	/nfs/dbraw/zinc/53/12/06/364531206.db2.gz	BMKARZDDFVPPLO-RQJHMYQMSA-N	-1	1	212.274	0.775	10	0		BCAEMM
CC(C)(C)OC(=O)N[C@@](C)(N)C(=O)[O-]	ZINC000115234866	368980925	/nfs/dbraw/zinc/98/09/25/368980925.db2.gz	MQQPIYCLBWONEV-MRVPVSSYSA-N	-1	1	204.226	0.271	10	0		BCAEMM
O=C(Nc1nn[n-]n1)C(Cl)(Cl)Cl	ZINC000008376251	372593531	/nfs/dbraw/zinc/59/35/31/372593531.db2.gz	OWBMYHXYSOJGHS-UHFFFAOYSA-N	-1	1	230.442	0.508	10	0		BCAEMM
O=C(C[P@@](=O)([O-])O)OCc1ccccc1	ZINC000001849685	182006568	/nfs/dbraw/zinc/00/65/68/182006568.db2.gz	UOUMHOPNKUNGAB-UHFFFAOYSA-N	-1	1	230.156	0.908	10	0		BCAEMM
O=C([O-])Cc1n[nH]c(CN2CCCC2)n1	ZINC000039281190	372930615	/nfs/dbraw/zinc/93/06/15/372930615.db2.gz	ABAFCYFYQOLSOM-UHFFFAOYSA-N	-1	1	210.237	0.028	10	0		BCAEMM
CC[N-]S(=O)(=O)c1nccc(C)n1	ZINC000095091595	170137853	/nfs/dbraw/zinc/13/78/53/170137853.db2.gz	COIIVFOWMWVNLW-UHFFFAOYSA-N	-1	1	201.251	0.083	10	0		BCAEMM
O=C([O-])[C@@H]1CSC2(CCSCC2)N1	ZINC000039438151	182519773	/nfs/dbraw/zinc/51/97/73/182519773.db2.gz	DAMJJKUKVCVCEL-LURJTMIESA-N	-1	1	219.331	0.999	10	0		BCAEMM
O=c1cccc(CC[P@@](=O)([O-])O)[nH]1	ZINC000072109632	183002407	/nfs/dbraw/zinc/00/24/07/183002407.db2.gz	CPWSFQWWYDYWOE-UHFFFAOYSA-N	-1	1	203.134	0.095	10	0		BCAEMM
CCC[C@@H](NCC(=O)NC1CCCC1)C(=O)[O-]	ZINC000036839416	169399640	/nfs/dbraw/zinc/39/96/40/169399640.db2.gz	NFFGABYXRFEOFB-SNVBAGLBSA-N	-1	1	242.319	0.888	10	0		BCAEMM
NNc1nc(-c2ccsc2)cc(=O)[n-]1	ZINC000072417256	384133975	/nfs/dbraw/zinc/13/39/75/384133975.db2.gz	JMZNIBXXZCQAHR-UHFFFAOYSA-N	-1	1	208.246	0.784	10	0		BCAEMM
NNc1nc(-c2cccs2)cc(=O)[n-]1	ZINC000072417255	384134941	/nfs/dbraw/zinc/13/49/41/384134941.db2.gz	SBOUAELTMJBORJ-UHFFFAOYSA-N	-1	1	208.246	0.784	10	0		BCAEMM
O=C([O-])[C@@H]1CN(C(=O)c2cccs2)CCN1	ZINC000095078108	384356462	/nfs/dbraw/zinc/35/64/62/384356462.db2.gz	LZILFQMZIPXIJU-ZETCQYMHSA-N	-1	1	240.284	0.247	10	0		BCAEMM
O=C([O-])[C@@H](CO)[P@@H](=O)c1ccccc1	ZINC000095932446	384411230	/nfs/dbraw/zinc/41/12/30/384411230.db2.gz	SXMVDSFFOPUGGC-MRVPVSSYSA-N	-1	1	214.157	0.317	10	0		BCAEMM
O=C(NCC1CC(O)C1)c1cncc([O-])c1	ZINC000084447185	384624420	/nfs/dbraw/zinc/62/44/20/384624420.db2.gz	VQGHHWZZVGUXTO-UHFFFAOYSA-N	-1	1	222.244	0.288	10	0		BCAEMM
O=c1c2c[nH]nc2[n-]cc1Br	ZINC000575436061	387098948	/nfs/dbraw/zinc/09/89/48/387098948.db2.gz	BUJRFYNNIWRBJS-UHFFFAOYSA-N	-1	1	214.022	0.965	10	0		BCAEMM
O=c1[nH]nc2[n-]cc(Br)nc1-2	ZINC000575625304	387821762	/nfs/dbraw/zinc/82/17/62/387821762.db2.gz	PVGJOSRYTWXEHB-UHFFFAOYSA-N	-1	1	215.010	0.821	10	0		BCAEMM
COC(=O)Cc1cc([O-])c(N)cc1[N+](=O)[O-]	ZINC000575639582	387837300	/nfs/dbraw/zinc/83/73/00/387837300.db2.gz	JOBHWPKCYSURHC-UHFFFAOYSA-N	-1	1	226.188	0.598	10	0		BCAEMM
Cc1cc(C(=O)N2CCC[C@@]2(C)C(=O)[O-])n[nH]1	ZINC000079480109	135322523	/nfs/dbraw/zinc/32/25/23/135322523.db2.gz	SNYWHKSIJLKFLU-NSHDSACASA-N	-1	1	237.259	0.797	10	0		BCAEMM
CC(C)NC(=O)[C@@H](C)[N@@H+](CCC(=O)[O-])C1CC1	ZINC000037593430	167080089	/nfs/dbraw/zinc/08/00/89/167080089.db2.gz	OLZRYFJXAOZNGA-SECBINFHSA-N	-1	1	242.319	0.839	10	0		BCAEMM
C[C@@H](NCC(=O)NC1CCC(C)CC1)C(=O)[O-]	ZINC000035387119	168161291	/nfs/dbraw/zinc/16/12/91/168161291.db2.gz	BTCILUKYIPUKBH-HWOCKDDLSA-N	-1	1	242.319	0.744	10	0		BCAEMM
CCOC(=O)Cc1ccnc(C=O)c1[O-]	ZINC000095774065	170236404	/nfs/dbraw/zinc/23/64/04/170236404.db2.gz	GAPMGYJYCCJZBE-UHFFFAOYSA-N	-1	1	209.201	0.705	10	0		BCAEMM
O=C1[N-]C(=S)C(=CNc2nc[nH]n2)S1	ZINC000618255290	411676217	/nfs/dbraw/zinc/67/62/17/411676217.db2.gz	VKCZVOCFWCDWSY-IWQZZHSRSA-N	-1	1	227.274	0.842	10	0		BCAEMM
CCC[C@H](N[C@@H]1CCN(CC)C1=O)C(=O)[O-]	ZINC000662206982	412025741	/nfs/dbraw/zinc/02/57/41/412025741.db2.gz	YELJRYPXJBCAIO-BDAKNGLRSA-N	-1	1	228.292	0.450	10	0		BCAEMM
CC[C@@H]1CC[C@@H](C)C12C(=O)[N-]C(=O)NC2=O	ZINC000005923352	171032339	/nfs/dbraw/zinc/03/23/39/171032339.db2.gz	MGDVOGPFASHOIO-RNFRBKRXSA-N	-1	1	224.260	0.795	10	0		BCAEMM
CC[C@H](C(=O)[O-])N1CC[S@@](=O)[C@@H](C)C1	ZINC000306953037	171237355	/nfs/dbraw/zinc/23/73/55/171237355.db2.gz	HPJCXWIBPHTTDN-PSQXESDUSA-N	-1	1	219.306	0.302	10	0		BCAEMM
CNC(=O)c1cccc([O-])c1C(=O)N(C)C	ZINC000095723796	173311984	/nfs/dbraw/zinc/31/19/84/173311984.db2.gz	JYDSAPJYVCFIKP-UHFFFAOYSA-N	-1	1	222.244	0.454	10	0		BCAEMM
C[C@@H]1CCC[C@H](NC(=O)CNCC(=O)[O-])[C@@H]1C	ZINC000035385496	176141557	/nfs/dbraw/zinc/14/15/57/176141557.db2.gz	QUHODSNDYRGWSF-BBBLOLIVSA-N	-1	1	242.319	0.602	10	0		BCAEMM
C[C@@H]1C[C@@H](C)CN(C(=O)CNCC(=O)[O-])C1	ZINC000035385433	176360009	/nfs/dbraw/zinc/36/00/09/176360009.db2.gz	MDABSDRVGKFRRV-RKDXNWHRSA-N	-1	1	228.292	0.165	10	0		BCAEMM
C[C@@H]1NC(=O)CC[C@@H]1NC(=O)c1cncc([O-])c1	ZINC000282706874	176455688	/nfs/dbraw/zinc/45/56/88/176455688.db2.gz	YDZVITITCGOWFX-XVKPBYJWSA-N	-1	1	249.270	0.184	10	0		BCAEMM
C[C@H]1C[C@@H]1C(=O)N1CCN(CCC(=O)[O-])CC1	ZINC000035687016	177340679	/nfs/dbraw/zinc/34/06/79/177340679.db2.gz	WLIMYKUYTUAJAG-UWVGGRQHSA-N	-1	1	240.303	0.261	10	0		BCAEMM
CC1(C)CN[C@H](C(=O)[O-])OC12CCOCC2	ZINC000757144840	582525774	/nfs/dbraw/zinc/52/57/74/582525774.db2.gz	NVZGOXJQSMXHCL-QMMMGPOBSA-N	-1	1	229.276	0.592	10	0		BCAEMM
CN1CC[C@@H](n2cc(C=O)c(C(=O)[O-])n2)C1	ZINC000757168311	582549624	/nfs/dbraw/zinc/54/96/24/582549624.db2.gz	BWTNHJVPFRRESU-MRVPVSSYSA-N	-1	1	223.232	0.270	10	0		BCAEMM
O=C([O-])c1nc2c(n1C1CCC1)CCNC2	ZINC000757171926	582551980	/nfs/dbraw/zinc/55/19/80/582551980.db2.gz	ZUWVCBZPLHHMMG-UHFFFAOYSA-N	-1	1	221.260	0.952	10	0		BCAEMM
N[C@@H](c1nc(=O)o[n-]1)c1ccc(F)cc1	ZINC000095532879	527340504	/nfs/dbraw/zinc/34/05/04/527340504.db2.gz	LGJIRZONHNQPID-SSDOTTSWSA-N	-1	1	209.180	0.962	10	0		BCAEMM
COC(=O)c1n[n-]nc1-c1cnns1	ZINC000685952866	566487046	/nfs/dbraw/zinc/48/70/46/566487046.db2.gz	DOYKVLZBGKYGLX-UHFFFAOYSA-N	-1	1	211.206	0.110	10	0		BCAEMM
COC(=O)c1cnc(COC(C)C)[n-]c1=O	ZINC000395437474	583058288	/nfs/dbraw/zinc/05/82/88/583058288.db2.gz	PAWDQGWYDPGACL-UHFFFAOYSA-N	-1	1	226.232	0.894	10	0		BCAEMM
Cc1c[nH]cc1C(=O)N1CCC[C@H]1c1nn[n-]n1	ZINC000900393790	584301308	/nfs/dbraw/zinc/30/13/08/584301308.db2.gz	HRNZKMUQTKDXPA-VIFPVBQESA-N	-1	1	246.274	0.814	10	0		BCAEMM
O=C([C@H]1C[C@@H]1C1CC1)N1CCC[C@H]1c1nn[n-]n1	ZINC000900395806	584301858	/nfs/dbraw/zinc/30/18/58/584301858.db2.gz	KWJLKULVZBQQCY-UTLUCORTSA-N	-1	1	247.302	0.909	10	0		BCAEMM
COC(=O)c1nn[n-]c1-c1cc(C)no1	ZINC000260991950	585024359	/nfs/dbraw/zinc/02/43/59/585024359.db2.gz	STUTWRSUGNWPBH-UHFFFAOYSA-N	-1	1	208.177	0.555	10	0		BCAEMM
COC(=O)c1[n-]nnc1-c1cc(C)no1	ZINC000260991950	585024360	/nfs/dbraw/zinc/02/43/60/585024360.db2.gz	STUTWRSUGNWPBH-UHFFFAOYSA-N	-1	1	208.177	0.555	10	0		BCAEMM
COC(=O)c1n[n-]nc1-c1cc(C)no1	ZINC000260991950	585024361	/nfs/dbraw/zinc/02/43/61/585024361.db2.gz	STUTWRSUGNWPBH-UHFFFAOYSA-N	-1	1	208.177	0.555	10	0		BCAEMM
Nc1nc(=S)[n-]c([C@H]2CCCOC2)n1	ZINC000137325453	585025191	/nfs/dbraw/zinc/02/51/91/585025191.db2.gz	HQCJSTBRKAQFMR-YFKPBYRVSA-N	-1	1	212.278	0.637	10	0		BCAEMM
CC(=O)C(C(C)=O)=C([O-])c1cn(C)cn1	ZINC000232450568	585031018	/nfs/dbraw/zinc/03/10/18/585031018.db2.gz	NRAKKCNIDPRETL-UHFFFAOYSA-N	-1	1	208.217	0.397	10	0		BCAEMM
O=C([C@H]1CCCO1)N1CCC[C@@H]1c1nn[n-]n1	ZINC000095119923	635426403	/nfs/dbraw/zinc/42/64/03/635426403.db2.gz	XJLUZRBPARZGFX-HTQZYQBOSA-N	-1	1	237.263	0.042	10	0		BCAEMM
O=C([N-]C[C@@H]1CCC[C@H]1O)C(F)(F)F	ZINC000084227194	631437361	/nfs/dbraw/zinc/43/73/61/631437361.db2.gz	BQIQXKBXRAQTQG-NTSWFWBYSA-N	-1	1	211.183	0.826	10	0		BCAEMM
CC(C)OC(=O)N1CCN(CC(=O)[O-])CC1	ZINC000044239197	631814510	/nfs/dbraw/zinc/81/45/10/631814510.db2.gz	SVXWCHABYCTYFM-UHFFFAOYSA-N	-1	1	230.264	0.234	10	0		BCAEMM
COC1CC(NC(=O)c2cncc([O-])c2)C1	ZINC000230725664	641091761	/nfs/dbraw/zinc/09/17/61/641091761.db2.gz	MACCXZFDRKTYFZ-UHFFFAOYSA-N	-1	1	222.244	0.694	10	0		BCAEMM
O=C([O-])C=Cc1c(O)[nH]c2ncccc2c1=O	ZINC000083327822	644402560	/nfs/dbraw/zinc/40/25/60/644402560.db2.gz	ACWBKWQVDPRBDG-ARJAWSKDSA-N	-1	1	232.195	0.727	10	0		BCAEMM
O=C(Nc1nnn[n-]1)[C@H]1Cc2ccccc2CO1	ZINC000709994294	712238896	/nfs/dbraw/zinc/23/88/96/712238896.db2.gz	XJACHCPNDJAXRQ-SECBINFHSA-N	-1	1	245.242	0.280	10	0		BCAEMM
O=C(Nc1nn[n-]n1)[C@H]1Cc2ccccc2CO1	ZINC000709994294	712238897	/nfs/dbraw/zinc/23/88/97/712238897.db2.gz	XJACHCPNDJAXRQ-SECBINFHSA-N	-1	1	245.242	0.280	10	0		BCAEMM
CCC[C@H](NCC(=O)NCC(C)C)C(=O)[O-]	ZINC000036839051	712499490	/nfs/dbraw/zinc/49/94/90/712499490.db2.gz	AHYLSMBEJIFLMW-VIFPVBQESA-N	-1	1	230.308	0.602	10	0		BCAEMM
CCC[C@H](N[C@@H](C)C(=O)NC1CC1)C(=O)[O-]	ZINC000036840044	712499685	/nfs/dbraw/zinc/49/96/85/712499685.db2.gz	KJTFSHGUYUQTTL-CBAPKCEASA-N	-1	1	228.292	0.496	10	0		BCAEMM
O=S(=O)([N-]CC1CC(O)C1)c1ccns1	ZINC000717726842	712667698	/nfs/dbraw/zinc/66/76/98/712667698.db2.gz	ZPNVVWJHFOLHPA-UHFFFAOYSA-N	-1	1	248.329	0.192	10	0		BCAEMM
C[C@H](NC(=O)c1ncccc1[O-])c1cn(C)nn1	ZINC000720547530	712850429	/nfs/dbraw/zinc/85/04/29/712850429.db2.gz	LOIVFEHNLNAABL-ZETCQYMHSA-N	-1	1	247.258	0.407	10	0		BCAEMM
CCC(F)(F)C(=O)N1CCC[C@@H]1c1nn[n-]n1	ZINC000720633791	712860146	/nfs/dbraw/zinc/86/01/46/712860146.db2.gz	IQGTWVRHVGBQNY-ZCFIWIBFSA-N	-1	1	245.233	0.909	10	0		BCAEMM
CC1(C)C[C@@H]1C(=O)N1CCC[C@@H]1c1nn[n-]n1	ZINC000720653236	712860847	/nfs/dbraw/zinc/86/08/47/712860847.db2.gz	DHAVGAYDWTUHFC-HTQZYQBOSA-N	-1	1	235.291	0.909	10	0		BCAEMM
CC(C)OCC(=O)N1CCC[C@H]1c1nn[n-]n1	ZINC000720654491	712860932	/nfs/dbraw/zinc/86/09/32/712860932.db2.gz	ZFPUUJXDGMEDOC-QMMMGPOBSA-N	-1	1	239.279	0.288	10	0		BCAEMM
CC1(C)C[C@H]1C(=O)N1CCC[C@H]1c1nn[n-]n1	ZINC000720653239	712860960	/nfs/dbraw/zinc/86/09/60/712860960.db2.gz	DHAVGAYDWTUHFC-YUMQZZPRSA-N	-1	1	235.291	0.909	10	0		BCAEMM
O=C([C@@H]1C[C@H]2C[C@H]2C1)N1CCC[C@@H]1c1nn[n-]n1	ZINC000720654543	712860972	/nfs/dbraw/zinc/86/09/72/712860972.db2.gz	ADIGWAHQSIFGHD-UTINFBMNSA-N	-1	1	247.302	0.909	10	0		BCAEMM
CC(F)(F)C(=O)N1CCC[C@H]1c1nn[n-]n1	ZINC000720656341	712861245	/nfs/dbraw/zinc/86/12/45/712861245.db2.gz	ZYZMQLAQBKUHIT-YFKPBYRVSA-N	-1	1	231.206	0.518	10	0		BCAEMM
CC=CC=CC(=O)N1CCC[C@@H]1c1nn[n-]n1	ZINC000720653557	712861265	/nfs/dbraw/zinc/86/12/65/712861265.db2.gz	ICBYDZGNQPPUHD-CQNPADEBSA-N	-1	1	233.275	0.996	10	0		BCAEMM
O=C([C@H]1[C@@H]2CCC[C@@H]21)N1CCC[C@@H]1c1nn[n-]n1	ZINC000720654590	712861286	/nfs/dbraw/zinc/86/12/86/712861286.db2.gz	AWIVUKHCSBCSPG-RGOKHQFPSA-N	-1	1	247.302	0.909	10	0		BCAEMM
CC[C@@H]1CC[C@H](c2n[n-]nc2C(=O)[O-])[NH2+]1	ZINC000685953534	538898065	/nfs/dbraw/zinc/89/80/65/538898065.db2.gz	LLICZQZSZPXPCB-PHDIDXHHSA-N	-1	1	210.237	0.706	10	0		BCAEMM
CC1(C)CC[C@@H](c2n[n-]nc2C(=O)[O-])[NH2+]1	ZINC000685953797	538898360	/nfs/dbraw/zinc/89/83/60/538898360.db2.gz	NDALHZDVQVYAHB-YFKPBYRVSA-N	-1	1	210.237	0.706	10	0		BCAEMM
CCN1CC[C@@H]1c1nn[n-]c1C(=O)OC	ZINC000685953900	538898647	/nfs/dbraw/zinc/89/86/47/538898647.db2.gz	OKVRFVHIUFCNLH-ZCFIWIBFSA-N	-1	1	210.237	0.358	10	0		BCAEMM
CCN1CC[C@@H]1c1[n-]nnc1C(=O)OC	ZINC000685953900	538898649	/nfs/dbraw/zinc/89/86/49/538898649.db2.gz	OKVRFVHIUFCNLH-ZCFIWIBFSA-N	-1	1	210.237	0.358	10	0		BCAEMM
CCN1CC[C@@H]1c1n[n-]nc1C(=O)OC	ZINC000685953900	538898651	/nfs/dbraw/zinc/89/86/51/538898651.db2.gz	OKVRFVHIUFCNLH-ZCFIWIBFSA-N	-1	1	210.237	0.358	10	0		BCAEMM
CCN1CC[C@H]1c1nn[n-]c1C(=O)OC	ZINC000685953889	538898743	/nfs/dbraw/zinc/89/87/43/538898743.db2.gz	OKVRFVHIUFCNLH-LURJTMIESA-N	-1	1	210.237	0.358	10	0		BCAEMM
CCN1CC[C@H]1c1[n-]nnc1C(=O)OC	ZINC000685953889	538898744	/nfs/dbraw/zinc/89/87/44/538898744.db2.gz	OKVRFVHIUFCNLH-LURJTMIESA-N	-1	1	210.237	0.358	10	0		BCAEMM
CCN1CC[C@H]1c1n[n-]nc1C(=O)OC	ZINC000685953889	538898745	/nfs/dbraw/zinc/89/87/45/538898745.db2.gz	OKVRFVHIUFCNLH-LURJTMIESA-N	-1	1	210.237	0.358	10	0		BCAEMM
O=C([O-])C(F)(F)CNC[C@H]1CCOC1	ZINC000685957458	538904390	/nfs/dbraw/zinc/90/43/90/538904390.db2.gz	YMGZVGRMAZQPST-ZCFIWIBFSA-N	-1	1	209.192	0.332	10	0		BCAEMM
O=C([O-])C(F)(F)CNCCCCCO	ZINC000685957527	538905102	/nfs/dbraw/zinc/90/51/02/538905102.db2.gz	UKVTXPDPMGFTCU-UHFFFAOYSA-N	-1	1	211.208	0.459	10	0		BCAEMM
COC(=O)c1n[n-]nc1[C@@H]1CCCCN1C	ZINC000685952526	538896488	/nfs/dbraw/zinc/89/64/88/538896488.db2.gz	AFEUPYGPXJOYHY-ZETCQYMHSA-N	-1	1	224.264	0.748	10	0		BCAEMM
CCOC(=O)c1n[n-]nc1-c1csnn1	ZINC000685953193	538897414	/nfs/dbraw/zinc/89/74/14/538897414.db2.gz	HIPOIZPNKIUXHT-UHFFFAOYSA-N	-1	1	225.233	0.500	10	0		BCAEMM
O=S1(=O)CCC(n2cn[n-]c2=S)CC1	ZINC000036332425	343978466	/nfs/dbraw/zinc/97/84/66/343978466.db2.gz	XVWWRMPQRHXHMD-UHFFFAOYSA-N	-1	1	233.318	0.690	10	0		BCAEMM
Cc1cc([N-]C(=O)c2nonc2N)on1	ZINC000054419676	178153185	/nfs/dbraw/zinc/15/31/85/178153185.db2.gz	ZJEDFEHGTYDKMJ-UHFFFAOYSA-N	-1	1	209.165	0.201	10	0		BCAEMM
O=C([O-])C[C@@]1(N2CCOCC2)CCSC1	ZINC000070821356	361774366	/nfs/dbraw/zinc/77/43/66/361774366.db2.gz	GGEPJYIADFZQBA-JTQLQIEISA-N	-1	1	231.317	0.669	10	0		BCAEMM
CCOC(=O)c1cnc(CCOC)[n-]c1=O	ZINC000034622806	538954438	/nfs/dbraw/zinc/95/44/38/538954438.db2.gz	CYLCTOSHCHUDLT-UHFFFAOYSA-N	-1	1	226.232	0.136	10	0		BCAEMM
CC(=O)C(C(C)=O)=C([O-])c1cnn(C)c1	ZINC000108137197	539027474	/nfs/dbraw/zinc/02/74/74/539027474.db2.gz	ORQHULNTPNEUCP-UHFFFAOYSA-N	-1	1	208.217	0.397	10	0		BCAEMM
C[C@H]1C[C@]2(CCO1)N[C@@H](C(=O)[O-])CS2	ZINC000226595189	342899380	/nfs/dbraw/zinc/89/93/80/342899380.db2.gz	CPBVJURWEIWICM-LKEWCRSYSA-N	-1	1	217.290	0.671	10	0		BCAEMM
Nc1ccccc1[C@H]1CNCCN1C(=O)[O-]	ZINC000144297325	343132222	/nfs/dbraw/zinc/13/22/22/343132222.db2.gz	LVSXZZXCZUSGGF-SNVBAGLBSA-N	-1	1	221.260	0.893	10	0		BCAEMM
CCc1nc2nc(=O)c(CC)c(N)n2[n-]1	ZINC000712012651	537783856	/nfs/dbraw/zinc/78/38/56/537783856.db2.gz	RSKVHKTZORVTFP-UHFFFAOYSA-N	-1	1	207.237	0.125	10	0		BCAEMM
CC(=O)N1CCN([C@@H](C)CCC(=O)[O-])CC1	ZINC000084535086	187269218	/nfs/dbraw/zinc/26/92/18/187269218.db2.gz	GOOPWSTUFYBDCM-VIFPVBQESA-N	-1	1	228.292	0.404	10	0		BCAEMM
Cc1ccc(N)c(C(=O)N[C@@H](C)c2nn[n-]n2)c1	ZINC000053003869	187271332	/nfs/dbraw/zinc/27/13/32/187271332.db2.gz	UVYUFPNCFHXQHP-ZETCQYMHSA-N	-1	1	246.274	0.581	10	0		BCAEMM
O=c1[n-]c(Cl)nc2c1ccn2CCO	ZINC000216322106	344144563	/nfs/dbraw/zinc/14/45/63/344144563.db2.gz	XVFIQQQGZQMXIT-UHFFFAOYSA-N	-1	1	213.624	0.370	10	0		BCAEMM
Cn1ccc(-c2n[n-]c(=S)[nH]2)cc1=O	ZINC000236115642	344298787	/nfs/dbraw/zinc/29/87/87/344298787.db2.gz	HNTNPDSWBZROCB-UHFFFAOYSA-N	-1	1	208.246	0.459	10	0		BCAEMM
CC[N@H+]1CC[C@@H](C(=O)[O-])[C@H](C(=O)[O-])C1	ZINC000127796285	344655202	/nfs/dbraw/zinc/65/52/02/344655202.db2.gz	ONJSPSWSEZPDLA-RNFRBKRXSA-N	-1	1	201.222	0.114	10	0		BCAEMM
COC(=O)Cc1cc(C#N)c([O-])cc1C=O	ZINC000396155045	344626835	/nfs/dbraw/zinc/62/68/35/344626835.db2.gz	FQLDVEUGGLBEJS-UHFFFAOYSA-N	-1	1	219.196	0.792	10	0		BCAEMM
COC(=O)Cc1c([O-])cc(C=O)cc1C#N	ZINC000396157644	344628989	/nfs/dbraw/zinc/62/89/89/344628989.db2.gz	JHSQWWHWIYBZIY-UHFFFAOYSA-N	-1	1	219.196	0.792	10	0		BCAEMM
CC(C)[N@H+]1CC[C@H](C(=O)[O-])[C@H](C(=O)[O-])C1	ZINC000148178948	345293774	/nfs/dbraw/zinc/29/37/74/345293774.db2.gz	RUYIPSHUKUKOLI-JGVFFNPUSA-N	-1	1	215.249	0.502	10	0		BCAEMM
C[C@@H]1OCC[C@H]1n1c(=O)[n-][nH]c1=S	ZINC000134593373	345416518	/nfs/dbraw/zinc/41/65/18/345416518.db2.gz	YBMAUOQWSDBVJX-CRCLSJGQSA-N	-1	1	201.251	0.210	10	0		BCAEMM
C[C@H](C(=O)[O-])c1nc[nH]c(=O)c1Cl	ZINC000167017695	346183445	/nfs/dbraw/zinc/18/34/45/346183445.db2.gz	RUMQGFFQEKPCIM-VKHMYHEASA-N	-1	1	202.597	0.611	10	0		BCAEMM
O=C([O-])[C@H]1CN([C@H]2CCCSC2)CCO1	ZINC000250984882	362830653	/nfs/dbraw/zinc/83/06/53/362830653.db2.gz	BUCMUXBEZCQGKN-DTWKUNHWSA-N	-1	1	231.317	0.667	10	0		BCAEMM
Cc1ccccc1NC(=O)CN[C@@H](C)C(=O)[O-]	ZINC000035388665	179299275	/nfs/dbraw/zinc/29/92/75/179299275.db2.gz	WFWFYRQDGBHUNG-VIFPVBQESA-N	-1	1	236.271	0.996	10	0		BCAEMM
Cc1ncc(C(=O)[O-])n1CCN1CCOCC1	ZINC000077602807	180135495	/nfs/dbraw/zinc/13/54/95/180135495.db2.gz	KVCKGTOLEVTSMX-UHFFFAOYSA-N	-1	1	239.275	0.222	10	0		BCAEMM
Cc1ncc(C[P@](=O)([O-])O)c(C=O)c1O	ZINC000027709098	180161368	/nfs/dbraw/zinc/16/13/68/180161368.db2.gz	MJHZPNZKADTPDP-UHFFFAOYSA-N	-1	1	231.144	0.586	10	0		BCAEMM
Cc1[nH]c(=O)sc1S(=O)(=O)[N-]C1CC1	ZINC000037859143	350288285	/nfs/dbraw/zinc/28/82/85/350288285.db2.gz	ZXIOQTFCWUWOAD-UHFFFAOYSA-N	-1	1	234.302	0.186	10	0		BCAEMM
C[C@H](Nc1ncc(N)s1)c1nn[n-]n1	ZINC000226738245	350450895	/nfs/dbraw/zinc/45/08/95/350450895.db2.gz	AZMXDGJYTSEARP-VKHMYHEASA-N	-1	1	211.254	0.412	10	0		BCAEMM
Clc1cc(NCc2nn[n-]n2)nc(Cl)n1	ZINC000306806611	351059253	/nfs/dbraw/zinc/05/92/53/351059253.db2.gz	KJAREJNUECBLNS-UHFFFAOYSA-N	-1	1	246.061	0.909	10	0		BCAEMM
Nc1ccc([C@@H]2CNCCN2C(=O)[O-])cc1	ZINC000616636227	351124077	/nfs/dbraw/zinc/12/40/77/351124077.db2.gz	SEBPMJLDYPXHHX-JTQLQIEISA-N	-1	1	221.260	0.893	10	0		BCAEMM
O=C([O-])N1CCNC[C@@H]1c1ccccc1CO	ZINC000616636302	351124815	/nfs/dbraw/zinc/12/48/15/351124815.db2.gz	IFKCYUZFZUYLDC-LLVKDONJSA-N	-1	1	236.271	0.803	10	0		BCAEMM
CC(=O)N1CCCC[C@@H](c2nn[n-]n2)C1	ZINC000616628272	351097756	/nfs/dbraw/zinc/09/77/56/351097756.db2.gz	IPATUEVTOKHVFA-MRVPVSSYSA-N	-1	1	209.253	0.316	10	0		BCAEMM
CC(C)(C)N1CCCOC[C@@H]1c1nnn[n-]1	ZINC000616644669	351162606	/nfs/dbraw/zinc/16/26/06/351162606.db2.gz	CFCCMYGEFBZATN-MRVPVSSYSA-N	-1	1	225.296	0.762	10	0		BCAEMM
NC(=O)N1CCNC[C@@H]1c1cccc(C(=O)[O-])c1	ZINC000616638945	351142296	/nfs/dbraw/zinc/14/22/96/351142296.db2.gz	MAQCBWJRTWOUMS-SNVBAGLBSA-N	-1	1	249.270	0.410	10	0		BCAEMM
CN1C[C@H](c2nn[n-]n2)Nc2ccccc21	ZINC000616682265	351252788	/nfs/dbraw/zinc/25/27/88/351252788.db2.gz	HWBRBORUKWCIDL-MRVPVSSYSA-N	-1	1	216.248	0.803	10	0		BCAEMM
Nc1cncc(Cl)c1NCC(=O)[O-]	ZINC000306859633	351204048	/nfs/dbraw/zinc/20/40/48/351204048.db2.gz	BVSHGJGACJWWTB-UHFFFAOYSA-N	-1	1	201.613	0.814	10	0		BCAEMM
CC1(C)SC[C@@H]1n1c(=O)[n-][nH]c1=S	ZINC000307344488	352093812	/nfs/dbraw/zinc/09/38/12/352093812.db2.gz	ZHAMSHRYZOVTNW-BYPYZUCNSA-N	-1	1	217.319	0.927	10	0		BCAEMM
CNS(=O)(=O)[N-]c1ccc(Cl)nn1	ZINC000161157810	363202741	/nfs/dbraw/zinc/20/27/41/363202741.db2.gz	FZAIOHKLKFYEDU-UHFFFAOYSA-N	-1	1	222.657	0.006	10	0		BCAEMM
CCc1nnc([C@H]2CC[C@@H](C(=O)[O-])O2)[nH]1	ZINC000223141983	353140664	/nfs/dbraw/zinc/14/06/64/353140664.db2.gz	LPRQDWWHNFNZEC-RITPCOANSA-N	-1	1	211.221	0.672	10	0		BCAEMM
CCc1nnc([C@@H]2CC[C@@H](C(=O)[O-])O2)[nH]1	ZINC000223141923	353140714	/nfs/dbraw/zinc/14/07/14/353140714.db2.gz	LPRQDWWHNFNZEC-WDSKDSINSA-N	-1	1	211.221	0.672	10	0		BCAEMM
O=C(Nc1c([O-])cccc1F)[C@@H]1CNC(=O)C1	ZINC000608365509	355379205	/nfs/dbraw/zinc/37/92/05/355379205.db2.gz	LJEFSLFCLZUGAG-LURJTMIESA-N	-1	1	238.218	0.606	10	0		BCAEMM
NC(=O)C1CCN(C(=O)c2ncccc2[O-])CC1	ZINC000037760390	181216135	/nfs/dbraw/zinc/21/61/35/181216135.db2.gz	MRXUMJYOPSIXKF-UHFFFAOYSA-N	-1	1	249.270	0.125	10	0		BCAEMM
NC(=O)c1c(O)[n-]c2cc(Cl)ccc2c1=O	ZINC000013833634	181286471	/nfs/dbraw/zinc/28/64/71/181286471.db2.gz	AUCZTESNKBYXQA-UHFFFAOYSA-N	-1	1	238.630	0.986	10	0		BCAEMM
N[C@@H](CO)c1nc2cc(C(=O)[O-])ccc2[nH]1	ZINC000675056020	538476899	/nfs/dbraw/zinc/47/68/99/538476899.db2.gz	IFJARKNYIUVBRB-LURJTMIESA-N	-1	1	221.216	0.253	10	0		BCAEMM
O=Cc1cnn(-c2ccncc2C(=O)[O-])c1	ZINC000675066824	538492752	/nfs/dbraw/zinc/49/27/52/538492752.db2.gz	XDKPTBHIKZWEMX-UHFFFAOYSA-N	-1	1	217.184	0.778	10	0		BCAEMM
CNS(=O)(=O)Nc1ccc(Cl)c([O-])c1	ZINC000160644696	357156571	/nfs/dbraw/zinc/15/65/71/357156571.db2.gz	LXPAFQOXZQVRSC-UHFFFAOYSA-N	-1	1	236.680	0.922	10	0		BCAEMM
COC(=O)c1nn[n-]c1-c1cc(OC)no1	ZINC000260891555	538853880	/nfs/dbraw/zinc/85/38/80/538853880.db2.gz	BQIJLHYMBCYNGV-UHFFFAOYSA-N	-1	1	224.176	0.255	10	0		BCAEMM
COC(=O)c1[n-]nnc1-c1cc(OC)no1	ZINC000260891555	538853887	/nfs/dbraw/zinc/85/38/87/538853887.db2.gz	BQIJLHYMBCYNGV-UHFFFAOYSA-N	-1	1	224.176	0.255	10	0		BCAEMM
COC(=O)c1n[n-]nc1-c1cc(OC)no1	ZINC000260891555	538853892	/nfs/dbraw/zinc/85/38/92/538853892.db2.gz	BQIJLHYMBCYNGV-UHFFFAOYSA-N	-1	1	224.176	0.255	10	0		BCAEMM
C[C@H]1COCCN1c1nc([O-])cc(=O)[nH]1	ZINC000584634256	358318383	/nfs/dbraw/zinc/31/83/83/358318383.db2.gz	KIZJCDBPFZWRDS-LURJTMIESA-N	-1	1	211.221	0.113	10	0		BCAEMM
O[C@@H]1CCCC[C@@H]1Sc1nnn[n-]1	ZINC000306186068	359001607	/nfs/dbraw/zinc/00/16/07/359001607.db2.gz	JCEBGSRTDOGOOI-RITPCOANSA-N	-1	1	200.267	0.595	10	0		BCAEMM
O[C@@H]1CCCC[C@@H]1Sc1nn[n-]n1	ZINC000306186068	359001611	/nfs/dbraw/zinc/00/16/11/359001611.db2.gz	JCEBGSRTDOGOOI-RITPCOANSA-N	-1	1	200.267	0.595	10	0		BCAEMM
O[C@H]1CCCC[C@@H]1Sc1nnn[n-]1	ZINC000306186070	359001935	/nfs/dbraw/zinc/00/19/35/359001935.db2.gz	JCEBGSRTDOGOOI-WDSKDSINSA-N	-1	1	200.267	0.595	10	0		BCAEMM
O[C@H]1CCCC[C@@H]1Sc1nn[n-]n1	ZINC000306186070	359001938	/nfs/dbraw/zinc/00/19/38/359001938.db2.gz	JCEBGSRTDOGOOI-WDSKDSINSA-N	-1	1	200.267	0.595	10	0		BCAEMM
O=C([N-][C@H]1CC[C@@H](O)C1)C(F)(F)Cl	ZINC000306403884	359786997	/nfs/dbraw/zinc/78/69/97/359786997.db2.gz	GVDBJXKXASETKU-CRCLSJGQSA-N	-1	1	213.611	0.848	10	0		BCAEMM
NC(=O)c1nccc(OC(F)(F)F)c1[O-]	ZINC000238663094	361175711	/nfs/dbraw/zinc/17/57/11/361175711.db2.gz	JISHOFJUDVTVRA-UHFFFAOYSA-N	-1	1	222.122	0.785	10	0		BCAEMM
O=c1ccnc(S[C@H]2CCC[C@@H]2O)[n-]1	ZINC000037696954	364531294	/nfs/dbraw/zinc/53/12/94/364531294.db2.gz	BMKARZDDFVPPLO-BQBZGAKWSA-N	-1	1	212.274	0.775	10	0		BCAEMM
COC(=O)c1n[n-]nc1-c1ocnc1C	ZINC000261006884	541401382	/nfs/dbraw/zinc/40/13/82/541401382.db2.gz	WNIZBXCORFNJII-UHFFFAOYSA-N	-1	1	208.177	0.555	10	0		BCAEMM
COc1cccc2c1c(O)c(C(=O)[O-])c(=O)n2C	ZINC000148512900	368351182	/nfs/dbraw/zinc/35/11/82/368351182.db2.gz	NAHJLLJQGJMMRD-UHFFFAOYSA-N	-1	1	249.222	0.951	10	0		BCAEMM
C[N@H+]1CCC[C@]2(C1)N[C@@H](C(=O)[O-])CCS2	ZINC000227315704	371830547	/nfs/dbraw/zinc/83/05/47/371830547.db2.gz	ZFFQGQNIOATYDX-SCZZXKLOSA-N	-1	1	230.333	0.588	10	0		BCAEMM
CN1CCC[C@]2(C1)N[C@@H](C(=O)[O-])CCS2	ZINC000227315704	371830551	/nfs/dbraw/zinc/83/05/51/371830551.db2.gz	ZFFQGQNIOATYDX-SCZZXKLOSA-N	-1	1	230.333	0.588	10	0		BCAEMM
CO[N-]C(=O)CN1CCS[C@@H](C)C1	ZINC000306147905	371991485	/nfs/dbraw/zinc/99/14/85/371991485.db2.gz	ADIRTKZQQXXPAN-ZETCQYMHSA-N	-1	1	204.295	0.101	10	0		BCAEMM
O=S(=O)([N-]c1cn[nH]n1)c1ccccc1	ZINC000005385600	182901383	/nfs/dbraw/zinc/90/13/83/182901383.db2.gz	RDXCHRMJDSFWSZ-UHFFFAOYSA-N	-1	1	224.245	0.606	10	0		BCAEMM
CCC[C@@H](C)NC(=O)CN[C@H](C(=O)[O-])C(C)C	ZINC000035391413	169367641	/nfs/dbraw/zinc/36/76/41/169367641.db2.gz	TUPMNOSPFZXENJ-KOLCDFICSA-N	-1	1	244.335	0.990	10	0		BCAEMM
NS(=O)(=O)c1c(O)cc([S-])cc1F	ZINC000575705276	384793773	/nfs/dbraw/zinc/79/37/73/384793773.db2.gz	HMBFKDIGJKYQTE-UHFFFAOYSA-N	-1	1	223.250	0.467	10	0		BCAEMM
Cc1ncc(C[N-]C(=O)C(F)(F)F)n1C	ZINC000575453683	386840343	/nfs/dbraw/zinc/84/03/43/386840343.db2.gz	SXKJLWICJKTVOS-UHFFFAOYSA-N	-1	1	221.182	0.907	10	0		BCAEMM
O=S1(=O)CCC[C@H]1c1n[n-]c(=S)[nH]1	ZINC000575468570	387076161	/nfs/dbraw/zinc/07/61/61/387076161.db2.gz	XYHSTGHOEYWFNA-BYPYZUCNSA-N	-1	1	219.291	0.343	10	0		BCAEMM
C[S@](=O)Cc1[nH][n-]c(=O)c1Br	ZINC000575601306	387362695	/nfs/dbraw/zinc/36/26/95/387362695.db2.gz	YFFUTFFJJFUESI-NSHDSACASA-N	-1	1	239.094	0.756	10	0		BCAEMM
Cc1cc([N-]S(=O)(=O)C(C)C)nn1C	ZINC000300766280	387443720	/nfs/dbraw/zinc/44/37/20/387443720.db2.gz	SCKVWZHKVMOEFO-UHFFFAOYSA-N	-1	1	217.294	0.879	10	0		BCAEMM
CSc1cc([O-])c(F)cc1S(N)(=O)=O	ZINC000575703672	387400232	/nfs/dbraw/zinc/40/02/32/387400232.db2.gz	PLIOBCUSXHGITR-UHFFFAOYSA-N	-1	1	237.277	0.901	10	0		BCAEMM
COc1cc(S(N)(=O)=O)c(F)cc1[O-]	ZINC000575706189	387410725	/nfs/dbraw/zinc/41/07/25/387410725.db2.gz	SUQUKAJYVXPYBP-UHFFFAOYSA-N	-1	1	221.209	0.187	10	0		BCAEMM
CCOc1cc([O-])cc(C#N)c1C(N)=O	ZINC000575647154	387880351	/nfs/dbraw/zinc/88/03/51/387880351.db2.gz	YISWBOATORVTQS-UHFFFAOYSA-N	-1	1	206.201	0.761	10	0		BCAEMM
O=c1[nH]cnc2c([O-])cc(N3CCOCC3)cc12	ZINC000221808288	388584214	/nfs/dbraw/zinc/58/42/14/388584214.db2.gz	ZFJFDRLHVCKCCW-UHFFFAOYSA-N	-1	1	247.254	0.465	10	0		BCAEMM
O=C([O-])[C@H]1CCCCN1c1ncnc2[nH]cnc21	ZINC000019802795	132327285	/nfs/dbraw/zinc/32/72/85/132327285.db2.gz	VDINNRPMUPRERB-SSDOTTSWSA-N	-1	1	247.258	0.796	10	0		BCAEMM
Nc1nc(N2CCCCC2)[n-]c(=O)c1C=O	ZINC000072416222	132396909	/nfs/dbraw/zinc/39/69/09/132396909.db2.gz	YRELPKHJRCXYBN-UHFFFAOYSA-N	-1	1	222.248	0.155	10	0		BCAEMM
O=C([O-])[C@H]1CC[C@H](CN2CCSCC2)O1	ZINC000051395218	398049172	/nfs/dbraw/zinc/04/91/72/398049172.db2.gz	JAKRTQFDXAWJNP-RKDXNWHRSA-N	-1	1	231.317	0.667	10	0		BCAEMM
C[C@H](NCC(=O)N1CCC(C)CC1)C(=O)[O-]	ZINC000035388356	168172317	/nfs/dbraw/zinc/17/23/17/168172317.db2.gz	BRLXIVLQVNZJQN-VIFPVBQESA-N	-1	1	228.292	0.308	10	0		BCAEMM
CNS(=O)(=O)[N-]c1cnc(Cl)cn1	ZINC000232113723	411449790	/nfs/dbraw/zinc/44/97/90/411449790.db2.gz	PUVKVTSKVVPBGQ-UHFFFAOYSA-N	-1	1	222.657	0.006	10	0		BCAEMM
CCOC(=O)N1CCN(C[C@@H](C)C(=O)[O-])CC1	ZINC000049478135	170240150	/nfs/dbraw/zinc/24/01/50/170240150.db2.gz	NUBRGPQVHQSNMS-SECBINFHSA-N	-1	1	244.291	0.481	10	0		BCAEMM
CCOC(=O)c1c([O-])nc2cc(C)ccn2c1=O	ZINC000226821756	170288824	/nfs/dbraw/zinc/28/88/24/170288824.db2.gz	VGJSMTORYSZHSV-UHFFFAOYSA-N	-1	1	248.238	0.885	10	0		BCAEMM
CCOC(=O)c1c([O-])nc2ccc(C)cn2c1=O	ZINC000226822480	170289047	/nfs/dbraw/zinc/28/90/47/170289047.db2.gz	WNSKOHCGPHJCLS-UHFFFAOYSA-N	-1	1	248.238	0.885	10	0		BCAEMM
Cc1[n-]n(-c2ccc(N)nc2)c(=O)c1F	ZINC000584880392	411891440	/nfs/dbraw/zinc/89/14/40/411891440.db2.gz	WTHNMRODNLSYOK-MRVPVSSYSA-N	-1	1	208.196	0.724	10	0		BCAEMM
Nc1nc(-c2ccsn2)nc(=S)[n-]1	ZINC000575467718	411972010	/nfs/dbraw/zinc/97/20/10/411972010.db2.gz	KELPPEKLUCICCL-UHFFFAOYSA-N	-1	1	211.275	0.866	10	0		BCAEMM
Nc1cc([C@H]2CNCCN2C(=O)[O-])ccn1	ZINC000616636280	411950567	/nfs/dbraw/zinc/95/05/67/411950567.db2.gz	HCIXVZKYVQXRLQ-MRVPVSSYSA-N	-1	1	222.248	0.288	10	0		BCAEMM
CC[C@@H]1CN(C(=O)N[C@@H](C)C(=O)[O-])CCN1C	ZINC000104351643	171065998	/nfs/dbraw/zinc/06/59/98/171065998.db2.gz	KHNIFEDQRISWRM-DTWKUNHWSA-N	-1	1	243.307	0.195	10	0		BCAEMM
CC[C@@H]1C[C@@H](C)C2(C1)C(=O)[N-]C(=O)NC2=O	ZINC000005923433	171115285	/nfs/dbraw/zinc/11/52/85/171115285.db2.gz	CLPHVPMJFDXEQG-RNFRBKRXSA-N	-1	1	224.260	0.795	10	0		BCAEMM
CC[C@H](C)N1CCN(C(=O)/C=C/C(=O)[O-])CC1	ZINC000055067604	171319333	/nfs/dbraw/zinc/31/93/33/171319333.db2.gz	QRVUCDGVUIJXHT-YEZKRMTDSA-N	-1	1	240.303	0.570	10	0		BCAEMM
CC[C@H](C)c1c([O-])[nH]c(=S)[nH]c1=O	ZINC000005599310	171380814	/nfs/dbraw/zinc/38/08/14/171380814.db2.gz	NPJPORUORPNTHO-BYPYZUCNSA-N	-1	1	200.263	0.591	10	0		BCAEMM
CN1CCC[C@@H](NC(=O)C2(C(=O)[O-])CC2)C1	ZINC000050291365	173021024	/nfs/dbraw/zinc/02/10/24/173021024.db2.gz	BQKUDZBGTIRXGA-MRVPVSSYSA-N	-1	1	226.276	0.062	10	0		BCAEMM
COc1ccc(O)c2c(=O)[n-][nH]c(=O)c12	ZINC000036459792	175160653	/nfs/dbraw/zinc/16/06/53/175160653.db2.gz	FXSNYUWJQYWZBN-UHFFFAOYSA-N	-1	1	208.173	0.343	10	0		BCAEMM
COc1ccccc1[C@H](N)c1nnn[n-]1	ZINC000019729450	175353114	/nfs/dbraw/zinc/35/31/14/175353114.db2.gz	GFOMCYWXTPUYAV-QMMMGPOBSA-N	-1	1	205.221	0.256	10	0		BCAEMM
COc1ccccc1[C@H](N)c1nn[n-]n1	ZINC000019729450	175353115	/nfs/dbraw/zinc/35/31/15/175353115.db2.gz	GFOMCYWXTPUYAV-QMMMGPOBSA-N	-1	1	205.221	0.256	10	0		BCAEMM
C[C@@H](NCC(=O)[O-])C(=O)N1CCCCC1	ZINC000035385732	175863865	/nfs/dbraw/zinc/86/38/65/175863865.db2.gz	ZARYTACSNLAARM-MRVPVSSYSA-N	-1	1	214.265	0.062	10	0		BCAEMM
C[C@@H]1C[C@H](C)CN(C(=O)CNCC(=O)[O-])C1	ZINC000035385430	177310524	/nfs/dbraw/zinc/31/05/24/177310524.db2.gz	MDABSDRVGKFRRV-DTORHVGOSA-N	-1	1	228.292	0.165	10	0		BCAEMM
C[C@H]1C[C@H](C)CN(C(=O)CNCC(=O)[O-])C1	ZINC000035385432	177357363	/nfs/dbraw/zinc/35/73/63/177357363.db2.gz	MDABSDRVGKFRRV-IUCAKERBSA-N	-1	1	228.292	0.165	10	0		BCAEMM
O=C(N[C@H]1CCC[C@H](O)C1)c1ncccc1[O-]	ZINC000679370246	488347903	/nfs/dbraw/zinc/34/79/03/488347903.db2.gz	OQDFUHUKGGLABV-IUCAKERBSA-N	-1	1	236.271	0.821	10	0		BCAEMM
CNS(=O)(=O)c1cc(C)ccc1[O-]	ZINC000057340222	522271917	/nfs/dbraw/zinc/27/19/17/522271917.db2.gz	UCLDEBYCDUUZSA-UHFFFAOYSA-N	-1	1	201.247	0.609	10	0		BCAEMM
NCc1nnn(C2CCCC2)c1C(=O)[O-]	ZINC000675051969	566375610	/nfs/dbraw/zinc/37/56/10/566375610.db2.gz	ZGPDAEHGUARNDY-UHFFFAOYSA-N	-1	1	210.237	0.550	10	0		BCAEMM
CCC/C(=C\[C@H]([NH3+])C(=O)[O-])C[P@](=O)([O-])O	ZINC000004862606	560200180	/nfs/dbraw/zinc/20/01/80/560200180.db2.gz	ZEFQYTSQDVUMEU-KNIZRNDPSA-N	-1	1	237.192	0.303	10	0	in-vitro	BCAEMM
CN(C)CC(=O)N[C@@H]1C[C@@H]2C[C@H](C(=O)[O-])C[C@H]12	ZINC000725263387	566308925	/nfs/dbraw/zinc/30/89/25/566308925.db2.gz	XRTBISMGDSCUAW-AATLWQCWSA-N	-1	1	240.303	0.164	10	0		BCAEMM
CN(C)CC(=O)N[C@@H]1CC[C@@H](CC(=O)[O-])C1	ZINC000393389315	582536564	/nfs/dbraw/zinc/53/65/64/582536564.db2.gz	AJLDXSSCSSBSGM-RKDXNWHRSA-N	-1	1	228.292	0.308	10	0		BCAEMM
CN(C)CC(=O)N[C@H]1CC[C@H](CC(=O)[O-])C1	ZINC000393389310	582536861	/nfs/dbraw/zinc/53/68/61/582536861.db2.gz	AJLDXSSCSSBSGM-IUCAKERBSA-N	-1	1	228.292	0.308	10	0		BCAEMM
CN1CC[C@H](n2cc(C=O)c(C(=O)[O-])n2)C1	ZINC000757168312	582549325	/nfs/dbraw/zinc/54/93/25/582549325.db2.gz	BWTNHJVPFRRESU-QMMMGPOBSA-N	-1	1	223.232	0.270	10	0		BCAEMM
O=Cc1cn([C@H]2CN3CCC2CC3)nc1C(=O)[O-]	ZINC000757168697	582550120	/nfs/dbraw/zinc/55/01/20/582550120.db2.gz	LCRMUAQMPAQCJX-JTQLQIEISA-N	-1	1	249.270	0.661	10	0		BCAEMM
CN(C)c1nc(N)c(-c2ccccn2)c(=O)[n-]1	ZINC000757178715	582553394	/nfs/dbraw/zinc/55/33/94/582553394.db2.gz	HWODYPASRVEGKE-UHFFFAOYSA-N	-1	1	231.259	0.892	10	0		BCAEMM
CO[C@H](C)C(=O)N[C@H](C)c1cc(=O)[nH][n-]1	ZINC000898867670	584162336	/nfs/dbraw/zinc/16/23/36/584162336.db2.gz	BQUKYZNEPHHEGA-PHDIDXHHSA-N	-1	1	213.237	0.327	10	0		BCAEMM
Nc1nc(=S)[n-]c([C@@H]2CCCOC2)n1	ZINC000137325500	585025213	/nfs/dbraw/zinc/02/52/13/585025213.db2.gz	HQCJSTBRKAQFMR-RXMQYKEDSA-N	-1	1	212.278	0.637	10	0		BCAEMM
O=C(c1ccon1)N1CCC[C@@H]1c1nn[n-]n1	ZINC000095185203	641598912	/nfs/dbraw/zinc/59/89/12/641598912.db2.gz	XYFYANAUGSKDGO-SSDOTTSWSA-N	-1	1	234.219	0.165	10	0		BCAEMM
C[C@H](O)[C@H](C)NC(=O)c1ncccc1[O-]	ZINC000346386577	643558742	/nfs/dbraw/zinc/55/87/42/643558742.db2.gz	QWMDIGCCZCWUCC-BQBZGAKWSA-N	-1	1	210.233	0.286	10	0		BCAEMM
CCC[C@H](NCC(=O)NC(C)C)C(=O)[O-]	ZINC000036839034	712499528	/nfs/dbraw/zinc/49/95/28/712499528.db2.gz	VLQUUHWNWQNHJK-QMMMGPOBSA-N	-1	1	216.281	0.354	10	0		BCAEMM
CCC[C@H](NCC(=O)NC1CCCC1)C(=O)[O-]	ZINC000036839414	712499662	/nfs/dbraw/zinc/49/96/62/712499662.db2.gz	NFFGABYXRFEOFB-JTQLQIEISA-N	-1	1	242.319	0.888	10	0		BCAEMM
CCC[C@H](NCC(=O)NC(C)(C)C)C(=O)[O-]	ZINC000036839058	712499681	/nfs/dbraw/zinc/49/96/81/712499681.db2.gz	WRPKWMADVWYYHP-QMMMGPOBSA-N	-1	1	230.308	0.744	10	0		BCAEMM
CCC[C@@H](NCC(=O)N[C@@H](C)C(C)C)C(=O)[O-]	ZINC000036840099	712500090	/nfs/dbraw/zinc/50/00/90/712500090.db2.gz	UPNBUIADJSOVGL-VHSXEESVSA-N	-1	1	244.335	0.990	10	0		BCAEMM
C[C@@H](NC(=O)c1ncccc1[O-])c1cn(C)nn1	ZINC000720547528	712850520	/nfs/dbraw/zinc/85/05/20/712850520.db2.gz	LOIVFEHNLNAABL-SSDOTTSWSA-N	-1	1	247.258	0.407	10	0		BCAEMM
CCC(F)(F)C(=O)N1CCC[C@H]1c1nn[n-]n1	ZINC000720633790	712860136	/nfs/dbraw/zinc/86/01/36/712860136.db2.gz	IQGTWVRHVGBQNY-LURJTMIESA-N	-1	1	245.233	0.909	10	0		BCAEMM
O=C([C@@H]1C[C@H]2C[C@H]2C1)N1CCC[C@H]1c1nn[n-]n1	ZINC000720654521	712861040	/nfs/dbraw/zinc/86/10/40/712861040.db2.gz	ADIGWAHQSIFGHD-JXUBOQSCSA-N	-1	1	247.302	0.909	10	0		BCAEMM
CCOC(=O)c1[n-]nnc1[C@@H]1CCN1CC	ZINC000685954421	538898067	/nfs/dbraw/zinc/89/80/67/538898067.db2.gz	XAMMLNXTQVTJSW-ZETCQYMHSA-N	-1	1	224.264	0.748	10	0		BCAEMM
CCOC(=O)c1nn[n-]c1[C@@H]1CCN1CC	ZINC000685954421	538898068	/nfs/dbraw/zinc/89/80/68/538898068.db2.gz	XAMMLNXTQVTJSW-ZETCQYMHSA-N	-1	1	224.264	0.748	10	0		BCAEMM
CCOC(=O)c1n[n-]nc1[C@@H]1CCN1CC	ZINC000685954421	538898069	/nfs/dbraw/zinc/89/80/69/538898069.db2.gz	XAMMLNXTQVTJSW-ZETCQYMHSA-N	-1	1	224.264	0.748	10	0		BCAEMM
N[C@@H](CC(F)F)c1n[nH]nc1C(=O)[O-]	ZINC000685954603	538899335	/nfs/dbraw/zinc/89/93/35/538899335.db2.gz	UNEMABHBYXGZDC-REOHCLBHSA-N	-1	1	206.152	0.158	10	0		BCAEMM
CCOC(=O)c1nn[n-]c1[C@H]1CCC[N@@H+]1C	ZINC000685952786	538896729	/nfs/dbraw/zinc/89/67/29/538896729.db2.gz	CEACHGIGVXRPRL-SSDOTTSWSA-N	-1	1	224.264	0.748	10	0		BCAEMM
Cc1cc([C@H](N)c2nnn[n-]2)c(C)s1	ZINC000049688092	178262498	/nfs/dbraw/zinc/26/24/98/178262498.db2.gz	PJVFLJNTIYMNBR-ZETCQYMHSA-N	-1	1	209.278	0.926	10	0		BCAEMM
Cc1[nH]c2cc(C(=O)[O-])nn2c(=O)c1C	ZINC000229927873	538949110	/nfs/dbraw/zinc/94/91/10/538949110.db2.gz	QCFUFOYALXGVAI-UHFFFAOYSA-N	-1	1	207.189	0.338	10	0		BCAEMM
C[C@H](C(=O)N(C)C)n1c(N)n[n-]c1=S	ZINC000070883522	361851845	/nfs/dbraw/zinc/85/18/45/361851845.db2.gz	FRQTWJQZFGKMGJ-SCSAIBSYSA-N	-1	1	215.282	0.172	10	0		BCAEMM
CCC(=O)N[C@@H]1CCC[N@@H+](CC(=O)[O-])C1	ZINC000380251588	343078043	/nfs/dbraw/zinc/07/80/43/343078043.db2.gz	PIAIQBMLQBPAFP-MRVPVSSYSA-N	-1	1	214.265	0.062	10	0		BCAEMM
O=C([O-])[C@@H]1CS[C@H]([C@H]2CCOC2)N1	ZINC000034717554	343277933	/nfs/dbraw/zinc/27/79/33/343277933.db2.gz	JNDVBUWGWNJCBW-LYFYHCNISA-N	-1	1	203.263	0.139	10	0		BCAEMM
CSC[C@H](C)n1c(=O)cc([O-])[nH]c1=O	ZINC000128413748	346997802	/nfs/dbraw/zinc/99/78/02/346997802.db2.gz	MCBAEJHJZSWWIS-YFKPBYRVSA-N	-1	1	216.262	0.166	10	0		BCAEMM
Nc1n[n-]c(=S)n1C1CCOCC1	ZINC000070881751	343956975	/nfs/dbraw/zinc/95/69/75/343956975.db2.gz	KLDZNKLBXRZBRO-UHFFFAOYSA-N	-1	1	200.267	0.874	10	0		BCAEMM
COC(=O)N1CCc2s[n-]c(=O)c2C1	ZINC000027996705	344323929	/nfs/dbraw/zinc/32/39/29/344323929.db2.gz	HGQDVEAJENBUQK-UHFFFAOYSA-N	-1	1	214.246	0.973	10	0		BCAEMM
N#Cc1cc(CC(=O)[O-])cc(C=O)c1O	ZINC000396148183	344621427	/nfs/dbraw/zinc/62/14/27/344621427.db2.gz	MNTYDILDTFEVDO-UHFFFAOYSA-N	-1	1	205.169	0.703	10	0		BCAEMM
CCCOCc1ncc(C(=O)OC)c(=O)[n-]1	ZINC000300851063	537865117	/nfs/dbraw/zinc/86/51/17/537865117.db2.gz	HUDNFOCQMFNXJY-UHFFFAOYSA-N	-1	1	226.232	0.895	10	0		BCAEMM
O=C([O-])[C@@H]1CS[C@H]([C@H]2CCSC2)N1	ZINC000224606043	344956018	/nfs/dbraw/zinc/95/60/18/344956018.db2.gz	AXGHVULUVHTPRB-LYFYHCNISA-N	-1	1	219.331	0.855	10	0		BCAEMM
O=c1[n-][nH]c(=S)n1Cc1cccnc1	ZINC000061591514	345011819	/nfs/dbraw/zinc/01/18/19/345011819.db2.gz	KIAAUAJHMYCBLJ-UHFFFAOYSA-N	-1	1	208.246	0.677	10	0		BCAEMM
COC(=O)[C@H](N)Cc1cc(F)c([O-])c(F)c1	ZINC000044331777	345026511	/nfs/dbraw/zinc/02/65/11/345026511.db2.gz	LGSSAULFHIPAEA-MRVPVSSYSA-N	-1	1	231.198	0.713	10	0		BCAEMM
CN1CCC[C@@H](Cn2nn[n-]c2=S)C1	ZINC000044538344	345112810	/nfs/dbraw/zinc/11/28/10/345112810.db2.gz	CVSFELNGBAEPEP-SSDOTTSWSA-N	-1	1	213.310	0.304	10	0		BCAEMM
Cc1c[nH]nc1[N-]S(=O)(=O)C(C)C	ZINC000157208150	345248721	/nfs/dbraw/zinc/24/87/21/345248721.db2.gz	ARNVTPOCCRPDMA-UHFFFAOYSA-N	-1	1	203.267	0.868	10	0		BCAEMM
Cn1nccc1-c1nc(N)[n-]c(=S)n1	ZINC000137331708	345608360	/nfs/dbraw/zinc/60/83/60/345608360.db2.gz	UCSAUTNSDQMIJA-UHFFFAOYSA-N	-1	1	208.250	0.143	10	0		BCAEMM
CCOC(=O)N1CCC[C@@H](c2nn[n-]n2)C1	ZINC000034117177	346199063	/nfs/dbraw/zinc/19/90/63/346199063.db2.gz	WQNYOEOREWZPNE-SSDOTTSWSA-N	-1	1	225.252	0.536	10	0		BCAEMM
NS(=O)(=O)Nc1ccc(Cl)c([O-])c1	ZINC000167501094	346255451	/nfs/dbraw/zinc/25/54/51/346255451.db2.gz	WNGLGKOHLJGCQB-UHFFFAOYSA-N	-1	1	222.653	0.661	10	0		BCAEMM
COCC[C@@H](N)c1ocnc1C(=O)[O-]	ZINC000616568542	347447616	/nfs/dbraw/zinc/44/76/16/347447616.db2.gz	KHACYUZKBKIJIS-RXMQYKEDSA-N	-1	1	200.194	0.409	10	0		BCAEMM
Cc1cccnc1-c1nc(N)cc(=O)[n-]1	ZINC000044467336	179356648	/nfs/dbraw/zinc/35/66/48/179356648.db2.gz	IZIHUDAVQAZPAV-UHFFFAOYSA-N	-1	1	202.217	0.723	10	0		BCAEMM
O=C([O-])[C@@H]1CSCN1C(=O)c1cc[nH]n1	ZINC000037454731	348602738	/nfs/dbraw/zinc/60/27/38/348602738.db2.gz	YXHYUPNYCIGWDV-LURJTMIESA-N	-1	1	227.245	0.009	10	0		BCAEMM
Cc1nc(-c2ccco2)[n-]c(=O)c1CCO	ZINC000058057028	179868302	/nfs/dbraw/zinc/86/83/02/179868302.db2.gz	PBZJXCXWIUZEEO-UHFFFAOYSA-N	-1	1	220.228	0.873	10	0		BCAEMM
Cc1nc(NN)[n-]c(=O)c1CCC(C)C	ZINC000072417221	180020965	/nfs/dbraw/zinc/02/09/65/180020965.db2.gz	VUBFDXVTEDUXGS-UHFFFAOYSA-N	-1	1	210.281	0.953	10	0		BCAEMM
Cc1ncc(CC[P@](=O)([O-])O)c(C=O)c1O	ZINC000033902849	180138599	/nfs/dbraw/zinc/13/85/99/180138599.db2.gz	LTUHULTYAHVJIP-UHFFFAOYSA-N	-1	1	245.171	0.628	10	0	in-vitro	BCAEMM
Cc1nc[nH]c1CN[C@@H](C)c1nnn[n-]1	ZINC000054797373	180121099	/nfs/dbraw/zinc/12/10/99/180121099.db2.gz	LXPGJLURUVDVPE-LURJTMIESA-N	-1	1	207.241	0.082	10	0		BCAEMM
CC(C)n1ncnc1C(=O)c1cn[n-]n1	ZINC000306809932	351064308	/nfs/dbraw/zinc/06/43/08/351064308.db2.gz	SSPPGOMXLOFETD-UHFFFAOYSA-N	-1	1	206.209	0.208	10	0		BCAEMM
NC(=O)c1cccc([C@@H]2CNCCN2C(=O)[O-])c1	ZINC000616636242	351124384	/nfs/dbraw/zinc/12/43/84/351124384.db2.gz	SUDBAEIUBBEMOL-JTQLQIEISA-N	-1	1	249.270	0.410	10	0		BCAEMM
CC(=O)N1CCCC[C@H](c2nn[n-]n2)C1	ZINC000616627501	351095925	/nfs/dbraw/zinc/09/59/25/351095925.db2.gz	IPATUEVTOKHVFA-QMMMGPOBSA-N	-1	1	209.253	0.316	10	0		BCAEMM
N[C@@H](C(=O)[O-])c1csc(-c2csnn2)n1	ZINC000306849497	351159213	/nfs/dbraw/zinc/15/92/13/351159213.db2.gz	NVKPNKZGYHQRQJ-RXMQYKEDSA-N	-1	1	242.285	0.746	10	0		BCAEMM
O=C([O-])N1CCCC[C@@H](c2nn[nH]n2)C1	ZINC000616652955	351187066	/nfs/dbraw/zinc/18/70/66/351187066.db2.gz	KTKGIKHKBVZZQG-ZCFIWIBFSA-N	-1	1	211.225	0.447	10	0		BCAEMM
Nc1cccc([C@H]2CNCCN2C(=O)[O-])c1	ZINC000616637115	351131487	/nfs/dbraw/zinc/13/14/87/351131487.db2.gz	SRJOSTWXPMQYOD-SNVBAGLBSA-N	-1	1	221.260	0.893	10	0		BCAEMM
BrC1=CCCN(Cc2nn[n-]n2)C1	ZINC000404202693	351141402	/nfs/dbraw/zinc/14/14/02/351141402.db2.gz	QSSUHFPKRZEZKB-UHFFFAOYSA-N	-1	1	244.096	0.684	10	0		BCAEMM
O=c1[n-]nc([C@@H]2CCCCS2(=O)=O)o1	ZINC000167976660	351143171	/nfs/dbraw/zinc/14/31/71/351143171.db2.gz	RUMQNMNPACZEKI-YFKPBYRVSA-N	-1	1	218.234	0.003	10	0		BCAEMM
CC(=O)N1c2ccccc2NC[C@H]1c1nn[n-]n1	ZINC000616683602	351252963	/nfs/dbraw/zinc/25/29/63/351252963.db2.gz	PMOTUHQAJAWKHV-JTQLQIEISA-N	-1	1	244.258	0.719	10	0		BCAEMM
O=C([O-])N1CCOCC[C@H]1c1cnc[nH]1	ZINC000616656330	351202265	/nfs/dbraw/zinc/20/22/65/351202265.db2.gz	FUKOIZILQGQSOH-QMMMGPOBSA-N	-1	1	211.221	0.851	10	0		BCAEMM
O=C([O-])N1CCO[C@H](c2cnc[nH]2)CC1	ZINC000616663411	351215547	/nfs/dbraw/zinc/21/55/47/351215547.db2.gz	HNHNNAPOFLPQIH-QMMMGPOBSA-N	-1	1	211.221	0.851	10	0		BCAEMM
Cn1cnc(CN2CC[C@H](C(=O)[O-])C2)c1	ZINC000307021617	351429915	/nfs/dbraw/zinc/42/99/15/351429915.db2.gz	CBCOENADPPRDAC-QMMMGPOBSA-N	-1	1	209.249	0.327	10	0		BCAEMM
O=c1[n-]c(Cl)nc2c1S(=O)(=O)CC2	ZINC000307012326	351420042	/nfs/dbraw/zinc/42/00/42/351420042.db2.gz	MBLPHZGKNPGOQF-UHFFFAOYSA-N	-1	1	220.637	0.165	10	0		BCAEMM
Cn1c2[nH]c(=O)cnc2c(=O)[n-]c1=S	ZINC000101676712	180613051	/nfs/dbraw/zinc/61/30/51/180613051.db2.gz	SFAPTPOQQNHNGG-UHFFFAOYSA-N	-1	1	210.218	0.092	10	0		BCAEMM
O=c1ccnc(S[C@@H]2COC[C@@H]2O)[n-]1	ZINC000307371931	352470606	/nfs/dbraw/zinc/47/06/06/352470606.db2.gz	QMXMDKFPVANHPW-NTSWFWBYSA-N	-1	1	214.246	0.034	10	0		BCAEMM
Nc1cc(C(=O)[O-])c(-n2ccnc2)cn1	ZINC000300789851	352574746	/nfs/dbraw/zinc/57/47/46/352574746.db2.gz	UGFCLYLOUAQLFH-UHFFFAOYSA-N	-1	1	204.189	0.548	10	0		BCAEMM
O=C(Nc1nnn[n-]1)C1(Br)CCC1	ZINC000307686516	352863696	/nfs/dbraw/zinc/86/36/96/352863696.db2.gz	CVSLUEQWJXWYCM-UHFFFAOYSA-N	-1	1	246.068	0.456	10	0		BCAEMM
O=C(Nc1nn[n-]n1)C1(Br)CCC1	ZINC000307686516	352863699	/nfs/dbraw/zinc/86/36/99/352863699.db2.gz	CVSLUEQWJXWYCM-UHFFFAOYSA-N	-1	1	246.068	0.456	10	0		BCAEMM
O=[S@](Cc1nn[n-]n1)c1ccc(F)cc1	ZINC000307713978	353107512	/nfs/dbraw/zinc/10/75/12/353107512.db2.gz	CXECECIOJAWSPE-OAHLLOKOSA-N	-1	1	226.236	0.647	10	0		BCAEMM
CC(=O)CS(=O)(=O)c1ccc([O-])cc1	ZINC000034156358	188111018	/nfs/dbraw/zinc/11/10/18/188111018.db2.gz	MZVCSEUFNRJWJD-UHFFFAOYSA-N	-1	1	214.242	0.755	10	0		BCAEMM
COC(=O)c1cnc(C(C)(C)OC)[n-]c1=O	ZINC000300831357	538111026	/nfs/dbraw/zinc/11/10/26/538111026.db2.gz	FHWWRTRWTLULBA-UHFFFAOYSA-N	-1	1	226.232	0.850	10	0		BCAEMM
Cc1cccc(S(=O)(=O)C[C@H](N)C(=O)[O-])c1	ZINC000001577566	188159086	/nfs/dbraw/zinc/15/90/86/188159086.db2.gz	KNKZCVCEAZZPOC-VIFPVBQESA-N	-1	1	243.284	0.181	10	0		BCAEMM
N[C@@H](c1nn[n-]n1)c1ncc(Cl)s1	ZINC000223210224	353353992	/nfs/dbraw/zinc/35/39/92/353353992.db2.gz	MSPMGYSANAMLCX-VKHMYHEASA-N	-1	1	216.657	0.358	10	0		BCAEMM
NC(=O)CCc1cccc2nc(C(=O)[O-])[nH]c21	ZINC000089195121	181227579	/nfs/dbraw/zinc/22/75/79/181227579.db2.gz	NNJQXEAGZYJAML-UHFFFAOYSA-N	-1	1	233.227	0.679	10	0		BCAEMM
C[C@@H](O)[C@@H](N)c1nc2cc(C(=O)[O-])ccc2[nH]1	ZINC000675056378	538478164	/nfs/dbraw/zinc/47/81/64/538478164.db2.gz	OVLAYJRNVGZGHF-MLUIRONXSA-N	-1	1	235.243	0.642	10	0		BCAEMM
CNS(=O)(=O)Nc1cccc(Cl)c1[O-]	ZINC000160648788	357156470	/nfs/dbraw/zinc/15/64/70/357156470.db2.gz	BSGIKARGGPWAPA-UHFFFAOYSA-N	-1	1	236.680	0.922	10	0		BCAEMM
O=C([N-][C@H]1CCC[C@@H]1CO)C(F)(F)F	ZINC000218011371	357267274	/nfs/dbraw/zinc/26/72/74/357267274.db2.gz	LLJCTBRVKCTUIC-RITPCOANSA-N	-1	1	211.183	0.826	10	0		BCAEMM
CO[C@@H](C)c1nc(=N[C@@H]2C[C@H]2CO)s[n-]1	ZINC000393936227	357320674	/nfs/dbraw/zinc/32/06/74/357320674.db2.gz	CBYJXSAAIYXAMZ-LYFYHCNISA-N	-1	1	229.305	0.460	10	0		BCAEMM
CCOC(=O)c1nn[n-]c1-c1ncccn1	ZINC000685952889	538894537	/nfs/dbraw/zinc/89/45/37/538894537.db2.gz	FHQDGXYDELAVSO-UHFFFAOYSA-N	-1	1	219.204	0.438	10	0		BCAEMM
CCOC(=O)c1[n-]nnc1-c1ncccn1	ZINC000685952889	538894538	/nfs/dbraw/zinc/89/45/38/538894538.db2.gz	FHQDGXYDELAVSO-UHFFFAOYSA-N	-1	1	219.204	0.438	10	0		BCAEMM
CCOC(=O)c1n[n-]nc1-c1ncccn1	ZINC000685952889	538894540	/nfs/dbraw/zinc/89/45/40/538894540.db2.gz	FHQDGXYDELAVSO-UHFFFAOYSA-N	-1	1	219.204	0.438	10	0		BCAEMM
O=C([O-])c1cc(=O)[nH]c(-c2ncco2)n1	ZINC000584637347	358322894	/nfs/dbraw/zinc/32/28/94/358322894.db2.gz	RFAOOSWRZFBTLK-UHFFFAOYSA-N	-1	1	207.145	0.535	10	0		BCAEMM
Nc1cccc(CSc2nnn[n-]2)n1	ZINC000306218164	359335865	/nfs/dbraw/zinc/33/58/65/359335865.db2.gz	LHFJBFAYFLROEB-UHFFFAOYSA-N	-1	1	208.250	0.469	10	0		BCAEMM
Nc1cccc(CSc2nn[n-]n2)n1	ZINC000306218164	359335870	/nfs/dbraw/zinc/33/58/70/359335870.db2.gz	LHFJBFAYFLROEB-UHFFFAOYSA-N	-1	1	208.250	0.469	10	0		BCAEMM
O=C([N-]Cc1c[nH]nn1)C(F)(F)Cl	ZINC000306461388	360071193	/nfs/dbraw/zinc/07/11/93/360071193.db2.gz	GGIUOJFKHCVPNE-UHFFFAOYSA-N	-1	1	210.571	0.253	10	0		BCAEMM
C[C@@H]1SCC[C@H]1n1c(=O)[n-][nH]c1=S	ZINC000306545547	360414290	/nfs/dbraw/zinc/41/42/90/360414290.db2.gz	CNQGMLZRQBHTAX-CRCLSJGQSA-N	-1	1	217.319	0.927	10	0		BCAEMM
O=c1ccnc(S[C@@H]2CCC[C@@H]2O)[n-]1	ZINC000037696953	364531382	/nfs/dbraw/zinc/53/13/82/364531382.db2.gz	BMKARZDDFVPPLO-NKWVEPMBSA-N	-1	1	212.274	0.775	10	0		BCAEMM
O=C([O-])c1cn2cc(-c3nnc[nH]3)ccc2n1	ZINC000116964031	370857877	/nfs/dbraw/zinc/85/78/77/370857877.db2.gz	FQQPXBZHECFYLB-UHFFFAOYSA-N	-1	1	229.199	0.818	10	0		BCAEMM
O=C([O-])[C@H]1CN([C@@H]2CCCSC2)CCO1	ZINC000226451293	371670707	/nfs/dbraw/zinc/67/07/07/371670707.db2.gz	BUCMUXBEZCQGKN-RKDXNWHRSA-N	-1	1	231.317	0.667	10	0		BCAEMM
O=C([O-])[C@@H]1CSC2(CCOCC2)N1	ZINC000039438148	372971517	/nfs/dbraw/zinc/97/15/17/372971517.db2.gz	JBSSRIXLYROGNF-LURJTMIESA-N	-1	1	203.263	0.283	10	0		BCAEMM
O=C([N-]CCO)C(Cl)(Cl)Cl	ZINC000005113604	182188601	/nfs/dbraw/zinc/18/86/01/182188601.db2.gz	GJVFAYCXTCDHML-UHFFFAOYSA-N	-1	1	206.456	0.465	10	0		BCAEMM
O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)c1ccc[nH]1	ZINC000020214180	182288009	/nfs/dbraw/zinc/28/80/09/182288009.db2.gz	UVQXIFIDATYOKI-VIFPVBQESA-N	-1	1	248.242	0.164	10	0		BCAEMM
O=C([O-])[C@@H](Cc1cnc[nH]1)NC(=O)c1ccco1	ZINC000021966128	182324989	/nfs/dbraw/zinc/32/49/89/182324989.db2.gz	WWZNFMWTEPEWJK-MRVPVSSYSA-N	-1	1	249.226	0.428	10	0		BCAEMM
O=C([O-])[C@@H](Cc1cnc[nH]1)NC(=O)c1ccc[nH]1	ZINC000020214176	182325335	/nfs/dbraw/zinc/32/53/35/182325335.db2.gz	UVQXIFIDATYOKI-SECBINFHSA-N	-1	1	248.242	0.164	10	0		BCAEMM
O=c1ccn(Cc2nn[n-]n2)c2ccc(F)cc12	ZINC000040175739	183003967	/nfs/dbraw/zinc/00/39/67/183003967.db2.gz	NQAAIYXHUWQZCD-UHFFFAOYSA-N	-1	1	245.217	0.702	10	0		BCAEMM
CCCNC(=O)[C@@H](C)N[C@H](CCC)C(=O)[O-]	ZINC000036840011	169242874	/nfs/dbraw/zinc/24/28/74/169242874.db2.gz	GFLDOTMANWQOHN-RKDXNWHRSA-N	-1	1	230.308	0.744	10	0		BCAEMM
NN=c1nnc(-c2ccc(F)cc2)c[n-]1	ZINC000066352153	383862225	/nfs/dbraw/zinc/86/22/25/383862225.db2.gz	FSBQFNJWWOCMJL-UHFFFAOYSA-N	-1	1	205.196	0.963	10	0		BCAEMM
O=C([O-])c1nnc2cnc(Br)[n-]c1-2	ZINC000089211935	383947143	/nfs/dbraw/zinc/94/71/43/383947143.db2.gz	IMURAMNSGKKMNE-UHFFFAOYSA-N	-1	1	243.020	0.814	10	0		BCAEMM
NNc1nc(-c2ccncc2)cc(=O)[n-]1	ZINC000072417253	384133256	/nfs/dbraw/zinc/13/32/56/384133256.db2.gz	FRBWYXDJEDXREB-UHFFFAOYSA-N	-1	1	203.205	0.118	10	0		BCAEMM
O=C([O-])[C@H]1CN(C(=O)c2ccsc2)CCN1	ZINC000095078113	384356806	/nfs/dbraw/zinc/35/68/06/384356806.db2.gz	IYASHYSYSPDUDI-MRVPVSSYSA-N	-1	1	240.284	0.247	10	0		BCAEMM
Cc1cc(C)nc(S(=O)(=O)[N-]C(C)C)n1	ZINC000095088533	384359938	/nfs/dbraw/zinc/35/99/38/384359938.db2.gz	ZHXIQLKGAQJZRK-UHFFFAOYSA-N	-1	1	229.305	0.780	10	0		BCAEMM
CS(=O)(=O)[N-]c1nc2c(s1)CNCC2	ZINC000019681426	384532537	/nfs/dbraw/zinc/53/25/37/384532537.db2.gz	DLIILHGSANQJKT-UHFFFAOYSA-N	-1	1	233.318	0.160	10	0		BCAEMM
COC(=O)c1c(C)[nH]c(O)c1CC(=O)[O-]	ZINC000019851515	384546566	/nfs/dbraw/zinc/54/65/66/384546566.db2.gz	ZAEBEGUUFLRDSD-UHFFFAOYSA-N	-1	1	213.189	0.442	10	0		BCAEMM
O=C([O-])c1ccc(/C=C2\NC(=O)NC2=O)cc1	ZINC000033398485	384610859	/nfs/dbraw/zinc/61/08/59/384610859.db2.gz	WUTHPFGNYBVSDZ-YVMONPNESA-N	-1	1	232.195	0.565	10	0		BCAEMM
COC(=O)N=c1nc(C(=O)C(=O)OC)[n-]s1	ZINC000164542469	384896422	/nfs/dbraw/zinc/89/64/22/384896422.db2.gz	WLQXZTNRENKJRV-UHFFFAOYSA-N	-1	1	245.216	0.072	10	0		BCAEMM
Nn1c(=S)[n-]nc1C1CCOCC1	ZINC000061673076	385128657	/nfs/dbraw/zinc/12/86/57/385128657.db2.gz	ZPCLTWOBCYGGFV-UHFFFAOYSA-N	-1	1	200.267	0.548	10	0		BCAEMM
CS(=O)(=O)c1cnc(C2CC2)[n-]c1=O	ZINC000253577195	385683565	/nfs/dbraw/zinc/68/35/65/385683565.db2.gz	WTQNUUSMYFHSHK-UHFFFAOYSA-N	-1	1	214.246	0.463	10	0		BCAEMM
C[C@H](C(F)F)n1c(=O)cc([O-])[nH]c1=O	ZINC000307016784	385835829	/nfs/dbraw/zinc/83/58/29/385835829.db2.gz	PIXGWJOHHBJCIK-GSVOUGTGSA-N	-1	1	206.148	0.109	10	0		BCAEMM
CC(=O)[C@@H]1CCCN(Cc2nn[n-]n2)C1	ZINC000307235802	386449129	/nfs/dbraw/zinc/44/91/29/386449129.db2.gz	FUANZXYEEKUIME-MRVPVSSYSA-N	-1	1	209.253	0.001	10	0		BCAEMM
CC[C@H](NC(=O)c1c([O-])cccc1F)C(N)=O	ZINC000292855216	387211650	/nfs/dbraw/zinc/21/16/50/387211650.db2.gz	OCGUDHRYKNDEJQ-ZETCQYMHSA-N	-1	1	240.234	0.525	10	0		BCAEMM
O=C(c1cncc([O-])c1)N1CC[C@H](CCO)C1	ZINC000127487194	387715644	/nfs/dbraw/zinc/71/56/44/387715644.db2.gz	SFIOEWJQJXIQLF-SECBINFHSA-N	-1	1	236.271	0.632	10	0		BCAEMM
COC(=O)Cc1ccc(N)c([O-])c1[N+](=O)[O-]	ZINC000575639734	387838771	/nfs/dbraw/zinc/83/87/71/387838771.db2.gz	KQVXBDRODALFSP-UHFFFAOYSA-N	-1	1	226.188	0.598	10	0		BCAEMM
O=C([O-])CSc1nc[nH]c(=O)c1Cl	ZINC000163490207	388380175	/nfs/dbraw/zinc/38/01/75/388380175.db2.gz	OKJVMGYVMBRGNT-UHFFFAOYSA-N	-1	1	220.637	0.600	10	0		BCAEMM
C[C@H]1[C@@H](O)CCCN1C(=O)c1cncc([O-])c1	ZINC000296120159	388418315	/nfs/dbraw/zinc/41/83/15/388418315.db2.gz	QOTXRCWNOUPZGR-KWQFWETISA-N	-1	1	236.271	0.773	10	0		BCAEMM
C[C@@H]1[C@@H](O)CCCN1C(=O)c1cncc([O-])c1	ZINC000296120157	388418394	/nfs/dbraw/zinc/41/83/94/388418394.db2.gz	QOTXRCWNOUPZGR-KCJUWKMLSA-N	-1	1	236.271	0.773	10	0		BCAEMM
Cc1ccc([C@@H](C)NCc2nc(=O)[n-][nH]2)o1	ZINC000273225433	389040092	/nfs/dbraw/zinc/04/00/92/389040092.db2.gz	BQYOKAVASLIDOI-SSDOTTSWSA-N	-1	1	222.248	0.850	10	0		BCAEMM
O=C([O-])[C@H]1CC[C@@H](CN2CCSCC2)O1	ZINC000051395216	398048432	/nfs/dbraw/zinc/04/84/32/398048432.db2.gz	JAKRTQFDXAWJNP-DTWKUNHWSA-N	-1	1	231.317	0.667	10	0		BCAEMM
CC[N-]S(=O)(=O)c1nc(C)cc(C)n1	ZINC000095091590	170137691	/nfs/dbraw/zinc/13/76/91/170137691.db2.gz	QRORIVPNPPAMBK-UHFFFAOYSA-N	-1	1	215.278	0.392	10	0		BCAEMM
CCOC(=O)c1n[n-]nc1C(=O)OCC	ZINC000005502128	170305626	/nfs/dbraw/zinc/30/56/26/170305626.db2.gz	YKRCXWLNDONGHS-UHFFFAOYSA-N	-1	1	213.193	0.158	10	0		BCAEMM
CCOC(=O)c1nc(SC)n[n-]c1=O	ZINC000095756289	170307868	/nfs/dbraw/zinc/30/78/68/170307868.db2.gz	KVGNDORPOFGSPD-UHFFFAOYSA-N	-1	1	215.234	0.476	10	0		BCAEMM
CC[C@@H]1CN(C(=O)c2ncccc2[O-])CCN1C	ZINC000104144621	171073889	/nfs/dbraw/zinc/07/38/89/171073889.db2.gz	LKFPFPDREUKMBT-SNVBAGLBSA-N	-1	1	249.314	0.953	10	0		BCAEMM
CC[C@H](C(=O)[O-])N1CCC[C@@H]1C(=O)NC	ZINC000042394954	171236977	/nfs/dbraw/zinc/23/69/77/171236977.db2.gz	GUKAPJSDBBBRNF-HTQZYQBOSA-N	-1	1	214.265	0.060	10	0		BCAEMM
CC[C@H](C(=O)[O-])N1CC[S@](=O)[C@H](C)C1	ZINC000306953042	171237548	/nfs/dbraw/zinc/23/75/48/171237548.db2.gz	HPJCXWIBPHTTDN-WGZSSWNPSA-N	-1	1	219.306	0.302	10	0		BCAEMM
CN1CCN(Cc2ccccc2)[C@H](C(=O)[O-])C1	ZINC000060053024	173088028	/nfs/dbraw/zinc/08/80/28/173088028.db2.gz	FTVNPPFPFGCFMD-LBPRGKRZSA-N	-1	1	234.299	0.887	10	0		BCAEMM
CNC(=O)c1cc([O-])ccc1C(=O)N(C)C	ZINC000095712195	173309932	/nfs/dbraw/zinc/30/99/32/173309932.db2.gz	LBTHMIYICSAUIV-UHFFFAOYSA-N	-1	1	222.244	0.454	10	0		BCAEMM
COc1ccc(NC(=O)CNCC(=O)[O-])cc1	ZINC000035385618	175142182	/nfs/dbraw/zinc/14/21/82/175142182.db2.gz	BFVMIYRXCJCHQQ-UHFFFAOYSA-N	-1	1	238.243	0.308	10	0		BCAEMM
C[C@H]1CCC(C)(C)C12C(=O)[N-]C(=O)NC2=O	ZINC000006037443	177068654	/nfs/dbraw/zinc/06/86/54/177068654.db2.gz	RJSOSRALKPYMAO-LURJTMIESA-N	-1	1	224.260	0.795	10	0		BCAEMM
C[C@H]1CCC[C@H](C)N1C(=O)CNCC(=O)[O-]	ZINC000035385528	177130994	/nfs/dbraw/zinc/13/09/94/177130994.db2.gz	RPTVEXZZOXMQLF-IUCAKERBSA-N	-1	1	228.292	0.450	10	0		BCAEMM
COCCN(CC(=O)[O-])C[C@H](O)C(C)C	ZINC000300941392	487559638	/nfs/dbraw/zinc/55/96/38/487559638.db2.gz	XWSNPAPYIMAPGH-VIFPVBQESA-N	-1	1	219.281	0.036	10	0		BCAEMM
CCOCCc1ncc(C(=O)OC)c(=O)[n-]1	ZINC000300836969	582592573	/nfs/dbraw/zinc/59/25/73/582592573.db2.gz	GAWFYAQIWVOXRI-UHFFFAOYSA-N	-1	1	226.232	0.548	10	0		BCAEMM
Cn1cnc([S-])c1C[C@@H](C(=O)[O-])[NH+](C)C	ZINC000000012656	560176767	/nfs/dbraw/zinc/17/67/67/560176767.db2.gz	ONAWDGXCZMVYMN-ZETCQYMHSA-N	-1	1	229.305	0.266	10	0	in-vitro	BCAEMM
O=C([O-])c1c2n(nc1C1CCC1)CCNC2	ZINC000757171633	582551093	/nfs/dbraw/zinc/55/10/93/582551093.db2.gz	HDQZXOIFLJZCJM-UHFFFAOYSA-N	-1	1	221.260	0.952	10	0		BCAEMM
CCOCC(=O)N[C@@H](C)c1cc(=O)[nH][n-]1	ZINC000898868777	584162204	/nfs/dbraw/zinc/16/22/04/584162204.db2.gz	WPSRUEUYNJGCLI-LURJTMIESA-N	-1	1	213.237	0.329	10	0		BCAEMM
Cc1cnn(CC(=O)N[C@@H](C)c2cc(=O)[nH][n-]2)c1	ZINC000898870613	584163226	/nfs/dbraw/zinc/16/32/26/584163226.db2.gz	WYEDEIIHHOHUMD-QMMMGPOBSA-N	-1	1	249.274	0.498	10	0		BCAEMM
O=C(C1=CCCCO1)N1CCC[C@@H]1c1nn[n-]n1	ZINC000900395324	584301920	/nfs/dbraw/zinc/30/19/20/584301920.db2.gz	XUVIXDBGSHIQCZ-MRVPVSSYSA-N	-1	1	249.274	0.558	10	0		BCAEMM
CCOC(=O)c1n[n-]nc1-c1ccon1	ZINC000261004974	585024407	/nfs/dbraw/zinc/02/44/07/585024407.db2.gz	WDYYZRLZVDPZOY-UHFFFAOYSA-N	-1	1	208.177	0.636	10	0		BCAEMM
Cc1n[nH]cc1-c1nc(N)[n-]c(=S)n1	ZINC000137325091	585025217	/nfs/dbraw/zinc/02/52/17/585025217.db2.gz	WUYDNCOZWDALKI-UHFFFAOYSA-N	-1	1	208.250	0.441	10	0		BCAEMM
NC1(c2noc(CCC(=O)[O-])n2)CCC1	ZINC000757182024	586433610	/nfs/dbraw/zinc/43/36/10/586433610.db2.gz	DVFMVXGTPHNUPO-UHFFFAOYSA-N	-1	1	211.221	0.425	10	0		BCAEMM
O=C([N-]OC/C=C\Cl)[C@H]1CCOC1	ZINC000308371373	631312568	/nfs/dbraw/zinc/31/25/68/631312568.db2.gz	KZTPNURWDFYRAY-YYHMEYGGSA-N	-1	1	205.641	0.823	10	0		BCAEMM
CCCC(=O)N1CCC[C@H]1c1nn[n-]n1	ZINC000095264468	635443387	/nfs/dbraw/zinc/44/33/87/635443387.db2.gz	CGJLGCGDGCEEKF-ZETCQYMHSA-N	-1	1	209.253	0.663	10	0		BCAEMM
C[C@@H](NC(=O)C1=COCCO1)c1cc(=O)[nH][n-]1	ZINC000898866404	637060320	/nfs/dbraw/zinc/06/03/20/637060320.db2.gz	FXOOPNJWZHNVRA-ZCFIWIBFSA-N	-1	1	239.231	0.181	10	0		BCAEMM
C[C@@H](O)[C@H](C)NC(=O)c1ncccc1[O-]	ZINC000346386579	637096434	/nfs/dbraw/zinc/09/64/34/637096434.db2.gz	QWMDIGCCZCWUCC-NKWVEPMBSA-N	-1	1	210.233	0.286	10	0		BCAEMM
CCOCCO[N-]C(=O)[C@@H]1CCCO[C@@H]1C	ZINC000190379471	641860477	/nfs/dbraw/zinc/86/04/77/641860477.db2.gz	YXDQHKFOEKYGBX-NXEZZACHSA-N	-1	1	231.292	0.886	10	0		BCAEMM
C[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H]1c1nn[n-]n1	ZINC000095252876	644745665	/nfs/dbraw/zinc/74/56/65/644745665.db2.gz	CQHGEOSKDCGOSN-GJMOJQLCSA-N	-1	1	221.264	0.519	10	0		BCAEMM
C[C@@H]1C[C@H]1C(=O)N1CCC[C@@H]1c1nn[n-]n1	ZINC000095252878	644746103	/nfs/dbraw/zinc/74/61/03/644746103.db2.gz	CQHGEOSKDCGOSN-BWZBUEFSSA-N	-1	1	221.264	0.519	10	0		BCAEMM
C[C@@H](O)[C@H](C)[N-]S(=O)(=O)c1ccns1	ZINC000717784712	712676031	/nfs/dbraw/zinc/67/60/31/712676031.db2.gz	AVMYVWKXGQKARC-NTSWFWBYSA-N	-1	1	236.318	0.191	10	0		BCAEMM
CC1CC(C(=O)N2CCC[C@H]2c2nn[n-]n2)C1	ZINC000720634757	712859932	/nfs/dbraw/zinc/85/99/32/712859932.db2.gz	QOUMWAOEZQYDTC-HACHORDNSA-N	-1	1	235.291	0.909	10	0		BCAEMM
O=C([C@@H]1CC12CC2)N1CCC[C@H]1c1nn[n-]n1	ZINC000720654080	712861128	/nfs/dbraw/zinc/86/11/28/712861128.db2.gz	RYSFLKAUTIIQED-YUMQZZPRSA-N	-1	1	233.275	0.663	10	0		BCAEMM
O=C(C1CSC1)N1CCC[C@@H]1c1nn[n-]n1	ZINC000720653253	712861211	/nfs/dbraw/zinc/86/12/11/712861211.db2.gz	FDWLNCHARZWSCQ-SSDOTTSWSA-N	-1	1	239.304	0.226	10	0		BCAEMM
CCOC(=O)c1[n-]nnc1[C@H]1CCN1CC	ZINC000685954420	538897998	/nfs/dbraw/zinc/89/79/98/538897998.db2.gz	XAMMLNXTQVTJSW-SSDOTTSWSA-N	-1	1	224.264	0.748	10	0		BCAEMM
CCOC(=O)c1nn[n-]c1[C@H]1CCN1CC	ZINC000685954420	538897999	/nfs/dbraw/zinc/89/79/99/538897999.db2.gz	XAMMLNXTQVTJSW-SSDOTTSWSA-N	-1	1	224.264	0.748	10	0		BCAEMM
CCOC(=O)c1n[n-]nc1[C@H]1CCN1CC	ZINC000685954420	538898000	/nfs/dbraw/zinc/89/80/00/538898000.db2.gz	XAMMLNXTQVTJSW-SSDOTTSWSA-N	-1	1	224.264	0.748	10	0		BCAEMM
Cc1cc(NC(=O)CN)ccc1C(=O)[O-]	ZINC000044750433	178129667	/nfs/dbraw/zinc/12/96/67/178129667.db2.gz	YCNGNFMWHGNURU-UHFFFAOYSA-N	-1	1	208.217	0.590	10	0		BCAEMM
Cc1cc2c(c(N3CCCC3)n1)C(=O)[N-]C2=O	ZINC000090400496	178283364	/nfs/dbraw/zinc/28/33/64/178283364.db2.gz	DPCSDOWXJPKVKW-UHFFFAOYSA-N	-1	1	231.255	0.874	10	0		BCAEMM
C[C@@H](CC(=O)[O-])[N@H+]1C[C@@H](C)OC[C@H]1C	ZINC000035787775	342759090	/nfs/dbraw/zinc/75/90/90/342759090.db2.gz	OFMLAGRAJRUHAJ-DJLDLDEBSA-N	-1	1	201.266	0.959	10	0		BCAEMM
O=C1c2ccccc2C(=O)N1C[P@@](=O)([O-])O	ZINC000138116959	342779666	/nfs/dbraw/zinc/77/96/66/342779666.db2.gz	MSOHGLLUPOHZSQ-UHFFFAOYSA-N	-1	1	241.139	0.418	10	0		BCAEMM
Clc1csc(NCc2nn[n-]n2)n1	ZINC000165016900	342868554	/nfs/dbraw/zinc/86/85/54/342868554.db2.gz	TXPFUALBNGDUEW-UHFFFAOYSA-N	-1	1	216.657	0.922	10	0		BCAEMM
O=C([O-])c1ccc2[nH]c(=O)cc(O)c2c1	ZINC000117768082	343015805	/nfs/dbraw/zinc/01/58/05/343015805.db2.gz	RPPMJWDFCWLZHA-UHFFFAOYSA-N	-1	1	205.169	0.932	10	0	in-vitro	BCAEMM
Nc1ccccc1[C@@H]1CNCCN1C(=O)[O-]	ZINC000144297117	362018955	/nfs/dbraw/zinc/01/89/55/362018955.db2.gz	LVSXZZXCZUSGGF-JTQLQIEISA-N	-1	1	221.260	0.893	10	0		BCAEMM
CN1CCc2c(N)cc(C(=O)[O-])nc2C1	ZINC000584881576	343082386	/nfs/dbraw/zinc/08/23/86/343082386.db2.gz	LWPUGGWISNWGAL-UHFFFAOYSA-N	-1	1	207.233	0.350	10	0		BCAEMM
COCC[C@H](N)c1ocnc1C(=O)[O-]	ZINC000616568546	344166066	/nfs/dbraw/zinc/16/60/66/344166066.db2.gz	KHACYUZKBKIJIS-YFKPBYRVSA-N	-1	1	200.194	0.409	10	0		BCAEMM
COc1cccc(-c2c[n-]c(=NN)nn2)c1	ZINC000216292831	344143469	/nfs/dbraw/zinc/14/34/69/344143469.db2.gz	UWQLNKYARGZOFO-UHFFFAOYSA-N	-1	1	217.232	0.833	10	0		BCAEMM
O=c1[n-]c(-c2c[nH]nn2)ncc1Br	ZINC000127375443	344255953	/nfs/dbraw/zinc/25/59/53/344255953.db2.gz	XLTJQXNTANZYCW-UHFFFAOYSA-N	-1	1	242.036	0.318	10	0		BCAEMM
COC(=O)c1ccc(C#N)c(C=O)c1[O-]	ZINC000396139887	344614994	/nfs/dbraw/zinc/61/49/94/344614994.db2.gz	WTEYQYFSOYGIAH-UHFFFAOYSA-N	-1	1	205.169	0.863	10	0		BCAEMM
C[C@H]1C[N@@H+](C[C@@](C)(O)C(=O)[O-])CCS1	ZINC000220981896	344655376	/nfs/dbraw/zinc/65/53/76/344655376.db2.gz	ZQQPXLRCJZQDAX-IONNQARKSA-N	-1	1	219.306	0.259	10	0		BCAEMM
N#Cc1ccc(CC(=O)[O-])c(O)c1C=O	ZINC000396147114	344620481	/nfs/dbraw/zinc/62/04/81/344620481.db2.gz	KVOVHRTWBRQDPR-UHFFFAOYSA-N	-1	1	205.169	0.703	10	0		BCAEMM
N#Cc1c(O)ccc(C(=O)[O-])c1[N+](=O)[O-]	ZINC000396162474	344634689	/nfs/dbraw/zinc/63/46/89/344634689.db2.gz	PVBJEYOKBFLTDB-UHFFFAOYSA-N	-1	1	208.129	0.870	10	0		BCAEMM
COC(=O)Cc1cc(C=O)cc([O-])c1C#N	ZINC000396162693	344634828	/nfs/dbraw/zinc/63/48/28/344634828.db2.gz	QRAOKSDKFLHOGE-UHFFFAOYSA-N	-1	1	219.196	0.792	10	0		BCAEMM
Cc1[nH]nc([N-]S(=O)(=O)C2CC2)c1C	ZINC000158655245	344708338	/nfs/dbraw/zinc/70/83/38/344708338.db2.gz	FMXVNXHFHXIBGW-UHFFFAOYSA-N	-1	1	215.278	0.931	10	0		BCAEMM
O=c1[n-][nH]c(=S)n1Cc1ccncc1	ZINC000061591515	345012174	/nfs/dbraw/zinc/01/21/74/345012174.db2.gz	LOJBTKWOSIHBGN-UHFFFAOYSA-N	-1	1	208.246	0.677	10	0		BCAEMM
CC(C)[N@H+]1CC[C@@H](C(=O)[O-])[C@H](C(=O)[O-])C1	ZINC000148179113	345293844	/nfs/dbraw/zinc/29/38/44/345293844.db2.gz	RUYIPSHUKUKOLI-HTQZYQBOSA-N	-1	1	215.249	0.502	10	0		BCAEMM
C[C@@H]1OCC[C@@H]1n1c(=O)[n-][nH]c1=S	ZINC000134593413	345416462	/nfs/dbraw/zinc/41/64/62/345416462.db2.gz	YBMAUOQWSDBVJX-WHFBIAKZSA-N	-1	1	201.251	0.210	10	0		BCAEMM
Cc1nc2nc(=O)c3c(n2[n-]1)CO[C@H]3C	ZINC000405854370	537906459	/nfs/dbraw/zinc/90/64/59/537906459.db2.gz	NNOCZTMTJVWFHF-BYPYZUCNSA-N	-1	1	206.205	0.317	10	0		BCAEMM
O=C([O-])c1cccc(/C=C2/NC(=O)NC2=O)c1	ZINC000215856272	349936599	/nfs/dbraw/zinc/93/65/99/349936599.db2.gz	RRAFKSDUDIFVGQ-VMPITWQZSA-N	-1	1	232.195	0.565	10	0		BCAEMM
CSCC[C@@H](NC(=O)C(F)(F)F)C(=O)[O-]	ZINC000001568175	346075079	/nfs/dbraw/zinc/07/50/79/346075079.db2.gz	JRGQIDFOMSJLPW-SCSAIBSYSA-N	-1	1	245.222	0.871	10	0		BCAEMM
C[C@H](NC(=O)c1cscn1)c1nn[n-]n1	ZINC000062358411	346242496	/nfs/dbraw/zinc/24/24/96/346242496.db2.gz	QVZCJABMUMBPTG-BYPYZUCNSA-N	-1	1	224.249	0.147	10	0		BCAEMM
O=c1[n-]c(=O)c(C(F)(F)C(F)(F)F)c[nH]1	ZINC000039199675	347182019	/nfs/dbraw/zinc/18/20/19/347182019.db2.gz	ZNTBLGMBXUKFBN-UHFFFAOYSA-N	-1	1	230.092	0.717	10	0		BCAEMM
C[N-]S(=O)(=O)c1occc1-c1cnccn1	ZINC000675055278	537990098	/nfs/dbraw/zinc/99/00/98/537990098.db2.gz	YXSXPJCRTLVMMB-UHFFFAOYSA-N	-1	1	239.256	0.645	10	0		BCAEMM
Cc1cccnc1C(=O)N[C@@H](C)c1nn[n-]n1	ZINC000051813495	179364561	/nfs/dbraw/zinc/36/45/61/179364561.db2.gz	WSFDGQVBIUDSJI-ZETCQYMHSA-N	-1	1	232.247	0.394	10	0		BCAEMM
NN=c1cc(C(=O)[O-])c(Br)c[nH]1	ZINC000222471315	350969960	/nfs/dbraw/zinc/96/99/60/350969960.db2.gz	DYVHYFDMXMJMHL-UHFFFAOYSA-N	-1	1	232.037	0.828	10	0		BCAEMM
O=[S@](Cc1nn[n-]n1)c1ccccc1F	ZINC000306809001	351062033	/nfs/dbraw/zinc/06/20/33/351062033.db2.gz	QSNHRBFOUNHKNZ-OAHLLOKOSA-N	-1	1	226.236	0.647	10	0		BCAEMM
CC(=O)N1CCC[C@@H](c2nn[n-]n2)CC1	ZINC000616629144	351099988	/nfs/dbraw/zinc/09/99/88/351099988.db2.gz	SHUYMEPCEBFQHB-MRVPVSSYSA-N	-1	1	209.253	0.316	10	0		BCAEMM
NC(=O)N1CCNC[C@H]1c1cccc(C(=O)[O-])c1	ZINC000616638842	351142434	/nfs/dbraw/zinc/14/24/34/351142434.db2.gz	MAQCBWJRTWOUMS-JTQLQIEISA-N	-1	1	249.270	0.410	10	0		BCAEMM
NC(=O)N1CC[C@@H](c2nn[n-]n2)c2ccccc21	ZINC000616676771	351241643	/nfs/dbraw/zinc/24/16/43/351241643.db2.gz	PNCPQEQTMPSEKT-MRVPVSSYSA-N	-1	1	244.258	0.620	10	0		BCAEMM
O=C([O-])N1CCOCC[C@@H]1c1nnc[nH]1	ZINC000616660167	351208939	/nfs/dbraw/zinc/20/89/39/351208939.db2.gz	SMFLPSTYPZUTDD-ZCFIWIBFSA-N	-1	1	212.209	0.246	10	0		BCAEMM
C[C@@H]1C[C@@H](n2c(=O)[n-][nH]c2=S)CS1	ZINC000307242117	351747276	/nfs/dbraw/zinc/74/72/76/351747276.db2.gz	IHRGBXHQCLRNIJ-RFZPGFLSSA-N	-1	1	217.319	0.927	10	0		BCAEMM
CC(=O)[C@H]1CCCCN1Cc1nn[n-]n1	ZINC000307614483	352671805	/nfs/dbraw/zinc/67/18/05/352671805.db2.gz	OTHLZZKABXVVJD-MRVPVSSYSA-N	-1	1	209.253	0.143	10	0		BCAEMM
CC(=O)[C@@H]1CCCCN1Cc1nn[n-]n1	ZINC000307614484	352671933	/nfs/dbraw/zinc/67/19/33/352671933.db2.gz	OTHLZZKABXVVJD-QMMMGPOBSA-N	-1	1	209.253	0.143	10	0		BCAEMM
CC(C)[NH+]1CCN([C@H](C)CC(=O)[O-])CC1	ZINC000036190308	188104143	/nfs/dbraw/zinc/10/41/43/188104143.db2.gz	GYIDWHACMWFQOF-SNVBAGLBSA-N	-1	1	214.309	0.876	10	0		BCAEMM
CN(C)c1ccc([O-])c(S(N)(=O)=O)c1	ZINC000095711880	188146202	/nfs/dbraw/zinc/14/62/02/188146202.db2.gz	JNHNFLBRDFFBTP-UHFFFAOYSA-N	-1	1	216.262	0.106	10	0		BCAEMM
C[C@@H]1OCC[C@H]1c1nc(N)nc(=S)[n-]1	ZINC000137325918	355771114	/nfs/dbraw/zinc/77/11/14/355771114.db2.gz	VOSAYSUKSDUHLA-CRCLSJGQSA-N	-1	1	212.278	0.635	10	0		BCAEMM
CCOC(=O)c1cnc([C@@H](C)OC)[n-]c1=O	ZINC000086590561	538557829	/nfs/dbraw/zinc/55/78/29/538557829.db2.gz	QQOMAEHKAXCABO-ZCFIWIBFSA-N	-1	1	226.232	0.654	10	0		BCAEMM
COC(=O)c1n[n-]nc1-c1cccnn1	ZINC000260906663	538853819	/nfs/dbraw/zinc/85/38/19/538853819.db2.gz	DMFWHPIEPUPIFQ-UHFFFAOYSA-N	-1	1	205.177	0.048	10	0		BCAEMM
COC(=O)c1n[n-]nc1-c1ccns1	ZINC000260964774	538855213	/nfs/dbraw/zinc/85/52/13/538855213.db2.gz	MQRMIRHMCLBPIL-UHFFFAOYSA-N	-1	1	210.218	0.715	10	0		BCAEMM
COC(=O)Cn1c(C(F)F)n[n-]c1=S	ZINC000685950265	538893328	/nfs/dbraw/zinc/89/33/28/538893328.db2.gz	VJNWLOKZAFNAQO-UHFFFAOYSA-N	-1	1	223.204	0.677	10	0		BCAEMM
C[C@@H](CO)Sc1nc(N)cc(=O)[n-]1	ZINC000306521172	360358349	/nfs/dbraw/zinc/35/83/49/360358349.db2.gz	FSJATKIHSGYFFF-BYPYZUCNSA-N	-1	1	201.251	0.237	10	0		BCAEMM
NCC(=O)N1CCc2cc(C(=O)[O-])ccc21	ZINC000040480806	181349909	/nfs/dbraw/zinc/34/99/09/181349909.db2.gz	ZYWVGDXCALRMKX-UHFFFAOYSA-N	-1	1	220.228	0.233	10	0		BCAEMM
NCC(=O)Nc1cc(Cl)ccc1C(=O)[O-]	ZINC000040471564	181355021	/nfs/dbraw/zinc/35/50/21/181355021.db2.gz	FUMMYGIBRXLZJT-UHFFFAOYSA-N	-1	1	228.635	0.935	10	0		BCAEMM
NCC(=O)Nc1cccc(F)c1C(=O)[O-]	ZINC000040473752	181355584	/nfs/dbraw/zinc/35/55/84/181355584.db2.gz	OGVHGGPIWREMFS-UHFFFAOYSA-N	-1	1	212.180	0.421	10	0		BCAEMM
NCC(=O)Nc1ccc(CCC(=O)[O-])cc1	ZINC000001646295	181355601	/nfs/dbraw/zinc/35/56/01/181355601.db2.gz	WVQGYRRSLHTWPZ-UHFFFAOYSA-N	-1	1	222.244	0.601	10	0		BCAEMM
NCC(=O)Nc1ccc(F)cc1C(=O)[O-]	ZINC000040479906	181355627	/nfs/dbraw/zinc/35/56/27/181355627.db2.gz	KFPMYUGJLISYOL-UHFFFAOYSA-N	-1	1	212.180	0.421	10	0		BCAEMM
Cc1cc(=O)[n-]c(SCC(C)(C)O)n1	ZINC000037697268	364532278	/nfs/dbraw/zinc/53/22/78/364532278.db2.gz	CNUJZFPGDFPGRL-UHFFFAOYSA-N	-1	1	214.290	0.941	10	0		BCAEMM
CCOCCC(=O)C1=C([O-])CCCC1=O	ZINC000230796368	541414980	/nfs/dbraw/zinc/41/49/80/541414980.db2.gz	LUXZJMHHAAYIFA-UHFFFAOYSA-N	-1	1	212.245	0.920	10	0		BCAEMM
C[N@H+]1CCC[C@@]2(C1)N[C@@H](C(=O)[O-])CS2	ZINC000227315684	371830003	/nfs/dbraw/zinc/83/00/03/371830003.db2.gz	QWBHNJWJAPJEOV-VXNVDRBHSA-N	-1	1	216.306	0.198	10	0		BCAEMM
COCc1nc(C2CC(O)C2)cc(=O)[n-]1	ZINC000606303805	372093471	/nfs/dbraw/zinc/09/34/71/372093471.db2.gz	VWHKOSFGPCZFAM-UHFFFAOYSA-N	-1	1	210.233	0.567	10	0		BCAEMM
Clc1cnc(Cl)nc1NCc1nn[n-]n1	ZINC000229295193	372137238	/nfs/dbraw/zinc/13/72/38/372137238.db2.gz	YSUKOIPWERBIKV-UHFFFAOYSA-N	-1	1	246.061	0.909	10	0		BCAEMM
O=C(NCCO)c1cc2ccc([O-])cc2oc1=O	ZINC000038634616	182193684	/nfs/dbraw/zinc/19/36/84/182193684.db2.gz	MFDHNLFEBWFUKL-UHFFFAOYSA-N	-1	1	249.222	0.221	10	0		BCAEMM
O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)c1ccoc1	ZINC000022143833	182287375	/nfs/dbraw/zinc/28/73/75/182287375.db2.gz	AKZCTJUKMFDJTG-VIFPVBQESA-N	-1	1	249.226	0.428	10	0		BCAEMM
O=C([N-][C@@H]1CN2CCC1CC2)C(F)(F)F	ZINC000083927100	182315272	/nfs/dbraw/zinc/31/52/72/182315272.db2.gz	HTNMWFSLSVGLSJ-SSDOTTSWSA-N	-1	1	222.210	0.759	10	0		BCAEMM
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CCOC(=O)N1CCC[N@@H+](CC(=O)[O-])CC1	ZINC000061145346	170239117	/nfs/dbraw/zinc/23/91/17/170239117.db2.gz	ZSHQHRJMBKSWML-UHFFFAOYSA-N	-1	1	230.264	0.235	10	0		BCAEMM
CCCN(CC(=O)N(C)C)[C@@H](C(=O)[O-])C(C)C	ZINC000042423154	169093018	/nfs/dbraw/zinc/09/30/18/169093018.db2.gz	PZLQJBRGAWQHET-LLVKDONJSA-N	-1	1	244.335	0.896	10	0		BCAEMM
CCC[C@H](NCC(=O)N[C@@H](C)CC)C(=O)[O-]	ZINC000036839038	169509978	/nfs/dbraw/zinc/50/99/78/169509978.db2.gz	SAOCSFIXZIGLTR-IUCAKERBSA-N	-1	1	230.308	0.744	10	0		BCAEMM
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COC[C@H](C)C(=O)[N-]OCc1cccnc1	ZINC000155814384	385414680	/nfs/dbraw/zinc/41/46/80/385414680.db2.gz	KDNYQOSVJJJTBM-VIFPVBQESA-N	-1	1	224.260	0.912	10	0		BCAEMM
COC(=O)Cc1c(N)c([O-])ccc1[N+](=O)[O-]	ZINC000575641317	386574872	/nfs/dbraw/zinc/57/48/72/386574872.db2.gz	PWQWBDMVIJLPRI-UHFFFAOYSA-N	-1	1	226.188	0.598	10	0		BCAEMM
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CC1(S(=O)(=O)[N-]c2cc[nH]n2)CC1	ZINC000575560866	387698994	/nfs/dbraw/zinc/69/89/94/387698994.db2.gz	BMLKQEBCXLYHQA-UHFFFAOYSA-N	-1	1	201.251	0.704	10	0		BCAEMM
COC(=O)c1ccc2c(c1F)[N-]C(=O)C2=O	ZINC000575624642	387821205	/nfs/dbraw/zinc/82/12/05/387821205.db2.gz	NVOUTSYDWPVIMH-UHFFFAOYSA-N	-1	1	223.159	0.747	10	0		BCAEMM
COC(=O)c1cc(N)c([O-])cc1[N+](=O)[O-]	ZINC000575641370	387848140	/nfs/dbraw/zinc/84/81/40/387848140.db2.gz	RUZCHQAWAQMPFX-UHFFFAOYSA-N	-1	1	212.161	0.669	10	0		BCAEMM
CCOc1cc(C#N)c(C(N)=O)cc1[O-]	ZINC000575645257	387878880	/nfs/dbraw/zinc/87/88/80/387878880.db2.gz	NTWQYBCUFMUGOQ-UHFFFAOYSA-N	-1	1	206.201	0.761	10	0		BCAEMM
CCC(=O)N1CCN([C@@H](C)C(=O)[O-])CC1	ZINC000020180601	168221824	/nfs/dbraw/zinc/22/18/24/168221824.db2.gz	FGGANGBSAZAYLG-QMMMGPOBSA-N	-1	1	214.265	0.014	10	0		BCAEMM
C[C@@H]1C[C@@H](O)CN(C(=O)c2ncccc2[O-])C1	ZINC000401735254	533671273	/nfs/dbraw/zinc/67/12/73/533671273.db2.gz	GAONCROJEFLAAS-RKDXNWHRSA-N	-1	1	236.271	0.630	10	0		BCAEMM
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CCc1ccc([C@H](N)c2nnn[n-]2)s1	ZINC000051721078	398057773	/nfs/dbraw/zinc/05/77/73/398057773.db2.gz	PSCDZKVTIXEVNW-ZETCQYMHSA-N	-1	1	209.278	0.872	10	0		BCAEMM
COCCN(CC(=O)[O-])C[C@@H](O)C(C)(C)C	ZINC000309131462	410866469	/nfs/dbraw/zinc/86/64/69/410866469.db2.gz	FRONCOMDQXYOQO-SECBINFHSA-N	-1	1	233.308	0.426	10	0		BCAEMM
CC(C)N1CCn2cnc(C(=O)[O-])c2C1	ZINC000082376272	167027696	/nfs/dbraw/zinc/02/76/96/167027696.db2.gz	VONURABJDSGWSM-UHFFFAOYSA-N	-1	1	209.249	0.805	10	0		BCAEMM
C[C@@H](NCC(=O)N1CCC(C)CC1)C(=O)[O-]	ZINC000035388357	168172412	/nfs/dbraw/zinc/17/24/12/168172412.db2.gz	BRLXIVLQVNZJQN-SECBINFHSA-N	-1	1	228.292	0.308	10	0		BCAEMM
CCOC(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1	ZINC000049478259	170240070	/nfs/dbraw/zinc/24/00/70/170240070.db2.gz	TVUUMOJJBCGSEP-VIFPVBQESA-N	-1	1	244.291	0.624	10	0		BCAEMM
CCOC(=O)c1c([O-])nc2c(C)cccn2c1=O	ZINC000226822113	170289015	/nfs/dbraw/zinc/28/90/15/170289015.db2.gz	BEZKWTAAHZWCMD-UHFFFAOYSA-N	-1	1	248.238	0.885	10	0		BCAEMM
CCOC(=O)c1[n-]c(=O)ncc1C(C)=O	ZINC000039205736	170308237	/nfs/dbraw/zinc/30/82/37/170308237.db2.gz	RJUKZYTUCDALPJ-UHFFFAOYSA-N	-1	1	210.189	0.562	10	0		BCAEMM
CCC[C@@H](N[C@H]1CCN(CC)C1=O)C(=O)[O-]	ZINC000662206983	412022983	/nfs/dbraw/zinc/02/29/83/412022983.db2.gz	YELJRYPXJBCAIO-DTWKUNHWSA-N	-1	1	228.292	0.450	10	0		BCAEMM
CCC[C@H](N[C@H]1CCN(CC)C1=O)C(=O)[O-]	ZINC000662206985	412022887	/nfs/dbraw/zinc/02/28/87/412022887.db2.gz	YELJRYPXJBCAIO-IUCAKERBSA-N	-1	1	228.292	0.450	10	0		BCAEMM
CC[C@H](C(N)=O)N1CCCC[C@@H]1C(=O)[O-]	ZINC000061678113	171243244	/nfs/dbraw/zinc/24/32/44/171243244.db2.gz	BFOYVDMDGWYRHX-HTQZYQBOSA-N	-1	1	214.265	0.189	10	0		BCAEMM
CN1CCCN(C(=O)C2(C(=O)[O-])CCC2)CC1	ZINC000050289520	173011770	/nfs/dbraw/zinc/01/17/70/173011770.db2.gz	ORQOXSSSUWECOH-UHFFFAOYSA-N	-1	1	240.303	0.405	10	0		BCAEMM
CN1CCN(Cc2ncccc2C(=O)[O-])CC1	ZINC000062182923	173091460	/nfs/dbraw/zinc/09/14/60/173091460.db2.gz	FCKGVVPVXVHFGO-UHFFFAOYSA-N	-1	1	235.287	0.527	10	0		BCAEMM
CN1C[C@@]2(C)CCC[C@@](C(=O)[O-])(C1)C2=O	ZINC000039109071	173190142	/nfs/dbraw/zinc/19/01/42/173190142.db2.gz	YPJLUDFNZIOYHO-GHMZBOCLSA-N	-1	1	211.261	0.762	10	0		BCAEMM
CNC(=O)c1nc2cccc(C(=O)[O-])c2[nH]1	ZINC000089195118	173313646	/nfs/dbraw/zinc/31/36/46/173313646.db2.gz	LQMAEBUNXUFQCX-UHFFFAOYSA-N	-1	1	219.200	0.621	10	0		BCAEMM
COCCSc1nc(N)cc(=O)[n-]1	ZINC000006381572	174377584	/nfs/dbraw/zinc/37/75/84/174377584.db2.gz	PJYXIARZSBUNOA-UHFFFAOYSA-N	-1	1	201.251	0.091	10	0		BCAEMM
COc1ccc([C@@H](O)[P@](=O)([O-])O)cc1	ZINC000026292363	175181181	/nfs/dbraw/zinc/18/11/81/175181181.db2.gz	QXKKQXRTAGJQKZ-QMMMGPOBSA-N	-1	1	218.145	0.864	10	0		BCAEMM
C[C@@H](Sc1nc2n[nH]cc2c(=O)[nH]1)C(=O)[O-]	ZINC000036673832	176010310	/nfs/dbraw/zinc/01/03/10/176010310.db2.gz	LGADDOBZXSFIEG-GSVOUGTGSA-N	-1	1	240.244	0.624	10	0		BCAEMM
C[C@H]1C[C@H](O)CN(C(=O)c2ncccc2[O-])C1	ZINC000401735251	226361672	/nfs/dbraw/zinc/36/16/72/226361672.db2.gz	GAONCROJEFLAAS-IUCAKERBSA-N	-1	1	236.271	0.630	10	0		BCAEMM
C[C@@H]1CN(c2ccncc2C(N)=O)C[C@H]1C(=O)[O-]	ZINC000399000965	488226104	/nfs/dbraw/zinc/22/61/04/488226104.db2.gz	SOXHIPLCVBFNKQ-VXNVDRBHSA-N	-1	1	249.270	0.337	10	0		BCAEMM
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O=c1cc([O-])[nH]c(=S)n1C[C@@H]1CCCO1	ZINC000095096529	527483931	/nfs/dbraw/zinc/48/39/31/527483931.db2.gz	CFNNHDIZXLMIFZ-LURJTMIESA-N	-1	1	228.273	0.790	10	0		BCAEMM
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CN(C)CC(=O)N[C@@H]1C[C@@H]2C[C@H](C(=O)[O-])C[C@@H]12	ZINC000725263388	566308556	/nfs/dbraw/zinc/30/85/56/566308556.db2.gz	XRTBISMGDSCUAW-AXTSPUMRSA-N	-1	1	240.303	0.164	10	0		BCAEMM
Nc1c(O)cccc1C(=O)C=C(O)C(=O)[O-]	ZINC000040164443	571756180	/nfs/dbraw/zinc/75/61/80/571756180.db2.gz	YCJNYHCCOXVYAF-UHFFFAOYSA-N	-1	1	223.184	0.201	10	0	endogenous,in-man	BCAEMM
O=C([O-])[C@H]1NCC2(CC2)C2(CCOCC2)O1	ZINC000757145355	582527488	/nfs/dbraw/zinc/52/74/88/582527488.db2.gz	OONRTUSOULHQIU-QMMMGPOBSA-N	-1	1	227.260	0.346	10	0		BCAEMM
Cn1cnc(-c2nc(N)[n-]c(=S)n2)c1	ZINC000236105981	582638789	/nfs/dbraw/zinc/63/87/89/582638789.db2.gz	GASQCDZJQWUGJC-UHFFFAOYSA-N	-1	1	208.250	0.143	10	0		BCAEMM
C[C@@H](NC(=O)C1=COCCC1)c1cc(=O)[nH][n-]1	ZINC000898870592	584163268	/nfs/dbraw/zinc/16/32/68/584163268.db2.gz	WQFFJVUZTNOGRW-SSDOTTSWSA-N	-1	1	237.259	0.987	10	0		BCAEMM
COCCNCc1cc(C(=O)[O-])no1	ZINC000232425023	585030661	/nfs/dbraw/zinc/03/06/61/585030661.db2.gz	WIRKOTYAMHNOOO-UHFFFAOYSA-N	-1	1	200.194	0.109	10	0		BCAEMM
CO[C@@H]1CCN(Cc2cn(C)nc2C(=O)[O-])C1	ZINC000756998951	586421992	/nfs/dbraw/zinc/42/19/92/586421992.db2.gz	BKHFSCAYFUJOGN-SECBINFHSA-N	-1	1	239.275	0.339	10	0		BCAEMM
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CC[C@@H](C)C(=O)N1CCC[C@H]1c1nn[n-]n1	ZINC000095259279	635440305	/nfs/dbraw/zinc/44/03/05/635440305.db2.gz	KMDBDBQHWXDKES-SFYZADRCSA-N	-1	1	223.280	0.909	10	0		BCAEMM
CN1CCN(c2nccc(C(=O)[O-])c2N)CC1	ZINC000088796923	641390429	/nfs/dbraw/zinc/39/04/29/641390429.db2.gz	BKESXSOCRUHSRK-UHFFFAOYSA-N	-1	1	236.275	0.114	10	0		BCAEMM
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CCC[C@H](NCC(=O)N(C)C1CC1)C(=O)[O-]	ZINC000049306359	641713898	/nfs/dbraw/zinc/71/38/98/641713898.db2.gz	WCMQGLHPGMGBBB-VIFPVBQESA-N	-1	1	228.292	0.450	10	0		BCAEMM
C[C@@H]1OCCC[C@@H]1C(=O)[N-]OC[C@@H]1CCOC1	ZINC000190885389	641892656	/nfs/dbraw/zinc/89/26/56/641892656.db2.gz	ACVFREAMCIJDOK-AXFHLTTASA-N	-1	1	243.303	0.886	10	0		BCAEMM
CCC[C@@H](N[C@@H]1CCN(C(C)C)C1=O)C(=O)[O-]	ZINC000185053743	643262727	/nfs/dbraw/zinc/26/27/27/643262727.db2.gz	OUBIASUBPMLTII-NXEZZACHSA-N	-1	1	242.319	0.839	10	0		BCAEMM
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CNC(=O)[C@@H](CC(C)C)N1CCC[C@H]1C(=O)[O-]	ZINC000096112964	644797630	/nfs/dbraw/zinc/79/76/30/644797630.db2.gz	CUWRTMLJHVOKIW-VHSXEESVSA-N	-1	1	242.319	0.696	10	0		BCAEMM
C[C@@H]1C[C@H]1C(=O)N1CCC[C@H]1c1nn[n-]n1	ZINC000720647710	712860661	/nfs/dbraw/zinc/86/06/61/712860661.db2.gz	CQHGEOSKDCGOSN-PRJMDXOYSA-N	-1	1	221.264	0.519	10	0		BCAEMM
COC(=O)c1cnc(-c2ncc[nH]2)[n-]c1=O	ZINC000300866691	711477105	/nfs/dbraw/zinc/47/71/05/711477105.db2.gz	JMBUGOGILXEJFP-UHFFFAOYSA-N	-1	1	220.188	0.359	10	0		BCAEMM
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CCC[C@H](NCC(=O)N[C@H](C)CC)C(=O)[O-]	ZINC000036839042	712499504	/nfs/dbraw/zinc/49/95/04/712499504.db2.gz	SAOCSFIXZIGLTR-BDAKNGLRSA-N	-1	1	230.308	0.744	10	0		BCAEMM
CCC[C@@H](NCC(=O)NC(C)C)C(=O)[O-]	ZINC000036839036	712500003	/nfs/dbraw/zinc/50/00/03/712500003.db2.gz	VLQUUHWNWQNHJK-MRVPVSSYSA-N	-1	1	216.281	0.354	10	0		BCAEMM
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CC(C)=CC(=O)N1CCC[C@H]1c1nn[n-]n1	ZINC000720637757	712859976	/nfs/dbraw/zinc/85/99/76/712859976.db2.gz	DYZALWANDIPFCO-QMMMGPOBSA-N	-1	1	221.264	0.829	10	0		BCAEMM
Cc1cc(C(=O)N2CCC[C@H]2c2nn[n-]n2)no1	ZINC000720655185	712860915	/nfs/dbraw/zinc/86/09/15/712860915.db2.gz	NUEOUKDDEZBIQB-QMMMGPOBSA-N	-1	1	248.246	0.473	10	0		BCAEMM
CC=CC=CC(=O)N1CCC[C@H]1c1nn[n-]n1	ZINC000720653560	712861180	/nfs/dbraw/zinc/86/11/80/712861180.db2.gz	ICBYDZGNQPPUHD-YXWLDPKDSA-N	-1	1	233.275	0.996	10	0		BCAEMM
C[C@@H](C(=O)N1CCC[C@@H]1c1nn[n-]n1)C1CC1	ZINC000720653247	712861193	/nfs/dbraw/zinc/86/11/93/712861193.db2.gz	DOOSNVJNMQKSTC-VXNVDRBHSA-N	-1	1	235.291	0.909	10	0		BCAEMM
CC=CC=CC(=O)N1CCC[C@@H]1c1nn[n-]n1	ZINC000720653559	712861275	/nfs/dbraw/zinc/86/12/75/712861275.db2.gz	ICBYDZGNQPPUHD-YFVFLRHASA-N	-1	1	233.275	0.996	10	0		BCAEMM
CCOC(=O)c1[n-]nnc1[C@@H](COC)OC	ZINC000685953651	538898080	/nfs/dbraw/zinc/89/80/80/538898080.db2.gz	NXNRLTOYURXBKP-ZCFIWIBFSA-N	-1	1	229.236	0.315	10	0		BCAEMM
CCOC(=O)c1nn[n-]c1[C@@H](COC)OC	ZINC000685953651	538898081	/nfs/dbraw/zinc/89/80/81/538898081.db2.gz	NXNRLTOYURXBKP-ZCFIWIBFSA-N	-1	1	229.236	0.315	10	0		BCAEMM
CCOC(=O)c1n[n-]nc1[C@@H](COC)OC	ZINC000685953651	538898082	/nfs/dbraw/zinc/89/80/82/538898082.db2.gz	NXNRLTOYURXBKP-ZCFIWIBFSA-N	-1	1	229.236	0.315	10	0		BCAEMM
CN(C)Cc1n[n-]nc1C(=O)OC(C)(C)C	ZINC000685953939	538898620	/nfs/dbraw/zinc/89/86/20/538898620.db2.gz	QVBNKMCRZQCMHB-UHFFFAOYSA-N	-1	1	226.280	0.822	10	0		BCAEMM
CCOC(=O)c1[n-]nnc1[C@H]1NCCS1	ZINC000685955009	538899959	/nfs/dbraw/zinc/89/99/59/538899959.db2.gz	YFEFGJOCLCGSMB-ZETCQYMHSA-N	-1	1	228.277	0.316	10	0		BCAEMM
CCOC(=O)c1nn[n-]c1[C@H]1NCCS1	ZINC000685955009	538899961	/nfs/dbraw/zinc/89/99/61/538899961.db2.gz	YFEFGJOCLCGSMB-ZETCQYMHSA-N	-1	1	228.277	0.316	10	0		BCAEMM
CCOC(=O)c1n[n-]nc1[C@H]1NCCS1	ZINC000685955009	538899962	/nfs/dbraw/zinc/89/99/62/538899962.db2.gz	YFEFGJOCLCGSMB-ZETCQYMHSA-N	-1	1	228.277	0.316	10	0		BCAEMM
COCCCCNCC(F)(F)C(=O)[O-]	ZINC000685957308	538904393	/nfs/dbraw/zinc/90/43/93/538904393.db2.gz	QLTIOLLSJSHYSX-UHFFFAOYSA-N	-1	1	211.208	0.723	10	0		BCAEMM
O=C(CC[P@](=O)([O-])O)Nc1cccc(O)c1	ZINC000096907982	398251377	/nfs/dbraw/zinc/25/13/77/398251377.db2.gz	LXVOGMYJLVPNHB-UHFFFAOYSA-N	-1	1	245.171	0.899	10	0		BCAEMM
Cc1ccc(-c2nc(N)c(N)c(=O)[n-]2)cc1	ZINC000039191513	178335301	/nfs/dbraw/zinc/33/53/01/178335301.db2.gz	MVULMEVJFHQQAT-UHFFFAOYSA-N	-1	1	216.244	0.910	10	0		BCAEMM
COC(OC)C(=O)C1=C([O-])CCCC1=O	ZINC000230796206	538951383	/nfs/dbraw/zinc/95/13/83/538951383.db2.gz	OQXUDWZFDBEMGG-UHFFFAOYSA-N	-1	1	214.217	0.113	10	0		BCAEMM
Nc1n[n-]c(=S)n1C[C@H]1CCOC1	ZINC000070881996	361833819	/nfs/dbraw/zinc/83/38/19/361833819.db2.gz	NFRHJNCCJOYNGF-RXMQYKEDSA-N	-1	1	200.267	0.559	10	0		BCAEMM
CC(C)NC(=O)Cn1c(N)n[n-]c1=S	ZINC000070881722	361834204	/nfs/dbraw/zinc/83/42/04/361834204.db2.gz	VAYZXLXBZMXKCH-UHFFFAOYSA-N	-1	1	215.282	0.047	10	0		BCAEMM
Nc1n[n-]c(=S)n1CC1CCOCC1	ZINC000070882133	361850207	/nfs/dbraw/zinc/85/02/07/361850207.db2.gz	ORYYAFSEGBWPON-UHFFFAOYSA-N	-1	1	214.294	0.949	10	0		BCAEMM
C[C@@H](C(=O)N(C)C)n1c(N)n[n-]c1=S	ZINC000070883518	361851516	/nfs/dbraw/zinc/85/15/16/361851516.db2.gz	FRQTWJQZFGKMGJ-BYPYZUCNSA-N	-1	1	215.282	0.172	10	0		BCAEMM
CCCc1ncc(C(=O)OCC)c(=O)[n-]1	ZINC000050103066	539010418	/nfs/dbraw/zinc/01/04/18/539010418.db2.gz	FHQSAIYCUUEHRG-UHFFFAOYSA-N	-1	1	210.233	0.899	10	0		BCAEMM
C[C@@H]1C[C@@]2(CCO1)N[C@@H](C(=O)[O-])CS2	ZINC000226595169	342899316	/nfs/dbraw/zinc/89/93/16/342899316.db2.gz	CPBVJURWEIWICM-BHNWBGBOSA-N	-1	1	217.290	0.671	10	0		BCAEMM
Cc1[n-]n(-c2ccc(N)cn2)c(=O)c1F	ZINC000584880297	343080667	/nfs/dbraw/zinc/08/06/67/343080667.db2.gz	MBMRUBCGOZLSCO-QMMMGPOBSA-N	-1	1	208.196	0.724	10	0		BCAEMM
Cc1[n-]n(-c2cncc(N)c2)c(=O)c1F	ZINC000584880413	343080690	/nfs/dbraw/zinc/08/06/90/343080690.db2.gz	ZRVBHBURXOWTHZ-QMMMGPOBSA-N	-1	1	208.196	0.724	10	0		BCAEMM
CNc1cc(C(=O)[O-])nc2c1CCN(C)C2	ZINC000584881701	343082845	/nfs/dbraw/zinc/08/28/45/343082845.db2.gz	NABDFADPMWIAEP-UHFFFAOYSA-N	-1	1	221.260	0.809	10	0		BCAEMM
CCN1C[C@H](c2nc(=N)o[n-]2)CCC1=O	ZINC000584883618	343086713	/nfs/dbraw/zinc/08/67/13/343086713.db2.gz	XEMIIAQGJYHBIZ-ZCFIWIBFSA-N	-1	1	210.237	0.208	10	0		BCAEMM
CCC(=O)N[C@H]1CCC[N@@H+](CC(=O)[O-])C1	ZINC000380251596	343078144	/nfs/dbraw/zinc/07/81/44/343078144.db2.gz	PIAIQBMLQBPAFP-QMMMGPOBSA-N	-1	1	214.265	0.062	10	0		BCAEMM
COc1c(O)cc([C@H](N)C(=O)[O-])cc1O	ZINC000038952170	343380819	/nfs/dbraw/zinc/38/08/19/343380819.db2.gz	BSBIBZWVRWBOSX-ZETCQYMHSA-N	-1	1	213.189	0.191	10	0		BCAEMM
N[C@H]1Cc2cccc(C(=O)[O-])c2NC1=O	ZINC000039086912	343381970	/nfs/dbraw/zinc/38/19/70/343381970.db2.gz	NSLJATRLMJYHTM-ZETCQYMHSA-N	-1	1	206.201	0.207	10	0		BCAEMM
Nc1cc(=O)[n-]c(Nc2ccc3c(c2)OCO3)n1	ZINC000049474092	343599348	/nfs/dbraw/zinc/59/93/48/343599348.db2.gz	YFIJFOBFRGWMAE-UHFFFAOYSA-N	-1	1	246.226	0.824	10	0		BCAEMM
CSC[C@@H](C)n1c(=O)cc([O-])[nH]c1=O	ZINC000128413966	346997959	/nfs/dbraw/zinc/99/79/59/346997959.db2.gz	MCBAEJHJZSWWIS-RXMQYKEDSA-N	-1	1	216.262	0.166	10	0		BCAEMM
COC(=O)CC[C@@H](N)c1ocnc1C(=O)[O-]	ZINC000616569163	344169793	/nfs/dbraw/zinc/16/97/93/344169793.db2.gz	RBFZBSPRZXIUGH-RXMQYKEDSA-N	-1	1	228.204	0.326	10	0		BCAEMM
COc1c(Br)nc[n-]c1=O	ZINC000165985659	344268385	/nfs/dbraw/zinc/26/83/85/344268385.db2.gz	YRPHJUTZUCDQQV-UHFFFAOYSA-N	-1	1	205.011	0.541	10	0		BCAEMM
C[C@H](C(N)=O)N1CCCC[C@@]1(C)C(=O)[O-]	ZINC000127616218	344578241	/nfs/dbraw/zinc/57/82/41/344578241.db2.gz	MVQCVKMOPGHQRU-XCBNKYQSSA-N	-1	1	214.265	0.189	10	0		BCAEMM
N#Cc1cc(CC(=O)[O-])cc(O)c1C=O	ZINC000396135825	344612976	/nfs/dbraw/zinc/61/29/76/344612976.db2.gz	JFLXEYOPYAMFHH-UHFFFAOYSA-N	-1	1	205.169	0.703	10	0		BCAEMM
COC(=O)c1c([O-])ccc(C#N)c1C=O	ZINC000396135949	344613052	/nfs/dbraw/zinc/61/30/52/344613052.db2.gz	KFJUCDJVLRVHIQ-UHFFFAOYSA-N	-1	1	205.169	0.863	10	0		BCAEMM
COC(=O)c1cc(C#N)c(C=O)cc1[O-]	ZINC000396136128	344613152	/nfs/dbraw/zinc/61/31/52/344613152.db2.gz	KIQUAWAPOLYECZ-UHFFFAOYSA-N	-1	1	205.169	0.863	10	0		BCAEMM
N#Cc1cc(C(=O)[O-])c([N+](=O)[O-])cc1O	ZINC000396163822	344635033	/nfs/dbraw/zinc/63/50/33/344635033.db2.gz	SAZQIIZXZOVFLV-UHFFFAOYSA-N	-1	1	208.129	0.870	10	0		BCAEMM
NC(=O)c1c([O-])cncc1OC(F)(F)F	ZINC000238591306	344644088	/nfs/dbraw/zinc/64/40/88/344644088.db2.gz	SWTZGNCFMUCKGD-UHFFFAOYSA-N	-1	1	222.122	0.785	10	0		BCAEMM
O=C([O-])[C@@H]1CS[C@@H]([C@@H]2CCSC2)N1	ZINC000224605157	344955958	/nfs/dbraw/zinc/95/59/58/344955958.db2.gz	AXGHVULUVHTPRB-VQVTYTSYSA-N	-1	1	219.331	0.855	10	0		BCAEMM
CC[NH2+][C@H](C)CN=c1nc(C)[n-]s1	ZINC000387576130	344943174	/nfs/dbraw/zinc/94/31/74/344943174.db2.gz	OKEXJKQDDPCEPL-ZCFIWIBFSA-N	-1	1	200.311	0.678	10	0		BCAEMM
O=C1c2ccccc2C(=O)N1C[P@H](=O)[O-]	ZINC000167752644	345798505	/nfs/dbraw/zinc/79/85/05/345798505.db2.gz	IBRICCXZVPZHRV-UHFFFAOYSA-N	-1	1	225.140	0.707	10	0		BCAEMM
Nc1nc(-c2cncs2)nc(=S)[n-]1	ZINC000236387323	346233806	/nfs/dbraw/zinc/23/38/06/346233806.db2.gz	BXAIOMKHJGZOBJ-UHFFFAOYSA-N	-1	1	211.275	0.866	10	0		BCAEMM
C[C@H](C(=O)[O-])C(=O)N1CCN2CCCC[C@H]2C1	ZINC000253251792	349229550	/nfs/dbraw/zinc/22/95/50/349229550.db2.gz	WUNDFNBAXHIHOH-UWVGGRQHSA-N	-1	1	240.303	0.404	10	0		BCAEMM
O=C([O-])N1CCNC[C@H]1c1cccc(CO)c1	ZINC000616635105	351118697	/nfs/dbraw/zinc/11/86/97/351118697.db2.gz	AICMMJNFYRCHBU-NSHDSACASA-N	-1	1	236.271	0.803	10	0		BCAEMM
CC(C)(C)OC(=O)N[C@](C)(N)C(=O)[O-]	ZINC000079508530	351067953	/nfs/dbraw/zinc/06/79/53/351067953.db2.gz	MQQPIYCLBWONEV-QMMMGPOBSA-N	-1	1	204.226	0.271	10	0		BCAEMM
NC(=O)N1CCCCC[C@H]1c1nn[n-]n1	ZINC000616623373	351089619	/nfs/dbraw/zinc/08/96/19/351089619.db2.gz	KWIDSWVGWQORAW-LURJTMIESA-N	-1	1	210.241	0.196	10	0		BCAEMM
NC(=O)N1CCCCC[C@@H]1c1nn[n-]n1	ZINC000616623878	351090059	/nfs/dbraw/zinc/09/00/59/351090059.db2.gz	KWIDSWVGWQORAW-ZCFIWIBFSA-N	-1	1	210.241	0.196	10	0		BCAEMM
c1ccc(CN2CCOC[C@@H]2c2nn[n-]n2)cc1	ZINC000616639855	351146157	/nfs/dbraw/zinc/14/61/57/351146157.db2.gz	QELQLQMWVQJXLY-LLVKDONJSA-N	-1	1	245.286	0.773	10	0		BCAEMM
CC(C)N1CCCOC[C@H]1c1nnn[n-]1	ZINC000616646466	351171738	/nfs/dbraw/zinc/17/17/38/351171738.db2.gz	XCFYHCYCVACPGP-QMMMGPOBSA-N	-1	1	211.269	0.372	10	0		BCAEMM
CC(C)N1CCCOC[C@H]1c1nn[n-]n1	ZINC000616646466	351171740	/nfs/dbraw/zinc/17/17/40/351171740.db2.gz	XCFYHCYCVACPGP-QMMMGPOBSA-N	-1	1	211.269	0.372	10	0		BCAEMM
CCOC(=O)N1CCCOC[C@H]1c1nn[n-]n1	ZINC000616650001	351172014	/nfs/dbraw/zinc/17/20/14/351172014.db2.gz	UIPKLGZHTDDPGC-ZETCQYMHSA-N	-1	1	241.251	0.120	10	0		BCAEMM
O=C([O-])N1CCCOC[C@@H]1c1c[nH]nn1	ZINC000616647459	351174134	/nfs/dbraw/zinc/17/41/34/351174134.db2.gz	LJKMSZKFDTYVSI-SSDOTTSWSA-N	-1	1	212.209	0.246	10	0		BCAEMM
NC(=O)c1cccc([C@H]2CNCCN2C(=O)[O-])c1	ZINC000616637117	351131258	/nfs/dbraw/zinc/13/12/58/351131258.db2.gz	SUDBAEIUBBEMOL-SNVBAGLBSA-N	-1	1	249.270	0.410	10	0		BCAEMM
O=C([O-])N1C[C@H](c2nn[nH]n2)Nc2ccccc21	ZINC000616685770	351258400	/nfs/dbraw/zinc/25/84/00/351258400.db2.gz	SBYZGXSJMOIFRM-SSDOTTSWSA-N	-1	1	246.230	0.851	10	0		BCAEMM
CC(C)(C)[N@H+]1CCOCC[C@H]1c1nnn[n-]1	ZINC000616655842	351201742	/nfs/dbraw/zinc/20/17/42/351201742.db2.gz	FGMDZSXHMYQVJJ-QMMMGPOBSA-N	-1	1	225.296	0.762	10	0		BCAEMM
CC(C)(C)N1CCOCC[C@H]1c1nnn[n-]1	ZINC000616655842	351201744	/nfs/dbraw/zinc/20/17/44/351201744.db2.gz	FGMDZSXHMYQVJJ-QMMMGPOBSA-N	-1	1	225.296	0.762	10	0		BCAEMM
O=C([O-])N1CCO[C@H](c2c[nH]nn2)CC1	ZINC000616664725	351220885	/nfs/dbraw/zinc/22/08/85/351220885.db2.gz	UWIRUTAXXBCTEN-ZETCQYMHSA-N	-1	1	212.209	0.246	10	0		BCAEMM
CN1CC[C@H](Oc2ncc(C(=O)[O-])s2)C1	ZINC000307293781	351903132	/nfs/dbraw/zinc/90/31/32/351903132.db2.gz	OTQWWFBESOQSHC-LURJTMIESA-N	-1	1	228.273	0.924	10	0		BCAEMM
Cc1ncc(C(=O)[O-])n1C[C@@H]1CCOC1	ZINC000307347189	352102446	/nfs/dbraw/zinc/10/24/46/352102446.db2.gz	PXABSNKGWSNGOK-QMMMGPOBSA-N	-1	1	210.233	0.926	10	0		BCAEMM
C[C@@H]1CN(Cc2cnns2)C[C@H]1C(=O)[O-]	ZINC000307552883	352647914	/nfs/dbraw/zinc/64/79/14/352647914.db2.gz	QUIQBNFZEGITDD-HTRCEHHLSA-N	-1	1	227.289	0.691	10	0		BCAEMM
Cc1nc(CN2CC[C@H](C(=O)[O-])C2)co1	ZINC000307614419	352670651	/nfs/dbraw/zinc/67/06/51/352670651.db2.gz	OFLDTQGAYIDTCP-QMMMGPOBSA-N	-1	1	210.233	0.890	10	0		BCAEMM
O=S(=O)([O-])c1cc(=S)n2cn[nH]c2n1	ZINC000100292872	188099093	/nfs/dbraw/zinc/09/90/93/188099093.db2.gz	XVUWAJKYHIHLHH-UHFFFAOYSA-N	-1	1	232.246	0.034	10	0		BCAEMM
CC=CC=CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)[O-]	ZINC000019505565	188107729	/nfs/dbraw/zinc/10/77/29/188107729.db2.gz	UUIZPOONDKPLRE-FQTVTVBISA-N	-1	1	249.270	0.654	10	0		BCAEMM
COC(=O)CS(=O)(=O)[N-]c1ccccc1	ZINC000038890546	188110355	/nfs/dbraw/zinc/11/03/55/188110355.db2.gz	QRVNTJWLJVRYKZ-UHFFFAOYSA-N	-1	1	229.257	0.601	10	0		BCAEMM
COC(=O)c1nc2nc(OC)ccc2[n-]1	ZINC000165425711	353353307	/nfs/dbraw/zinc/35/33/07/353353307.db2.gz	LMUPVBXMOLNOCV-UHFFFAOYSA-N	-1	1	207.189	0.753	10	0		BCAEMM
COc1n[n-]c(NC(=O)OC(C)C)n1	ZINC000129619171	355361474	/nfs/dbraw/zinc/36/14/74/355361474.db2.gz	LUOLYSUZQJBFEF-UHFFFAOYSA-N	-1	1	200.198	0.770	10	0		BCAEMM
NC(=O)[C@@H]1CCCN1Cc1ccc(C(=O)[O-])cc1	ZINC000021043981	181269370	/nfs/dbraw/zinc/26/93/70/181269370.db2.gz	SLQMCBPDRUQFQB-NSHDSACASA-N	-1	1	248.282	0.835	10	0		BCAEMM
C[C@@H](O)[C@H](N)c1nc2cc(C(=O)[O-])ccc2[nH]1	ZINC000675056376	538478240	/nfs/dbraw/zinc/47/82/40/538478240.db2.gz	OVLAYJRNVGZGHF-ANLVUFKYSA-N	-1	1	235.243	0.642	10	0		BCAEMM
CCCS(=O)(=O)[N-]c1nc(CN)cs1	ZINC000675073362	538505108	/nfs/dbraw/zinc/50/51/08/538505108.db2.gz	NTMXHFJLIJJVGS-UHFFFAOYSA-N	-1	1	235.334	0.754	10	0		BCAEMM
CCOCc1ncc(C(=O)OCC)c(=O)[n-]1	ZINC000084065052	538527769	/nfs/dbraw/zinc/52/77/69/538527769.db2.gz	JZTMVFSHMNZNDH-UHFFFAOYSA-N	-1	1	226.232	0.895	10	0		BCAEMM
CC(=O)C(C(C)=O)=C([O-])c1ncccn1	ZINC000130055000	538582549	/nfs/dbraw/zinc/58/25/49/538582549.db2.gz	ROWQMBJLGYYIMO-UHFFFAOYSA-N	-1	1	206.201	0.454	10	0		BCAEMM
COCC(=O)C1=C([O-])CC(C)(C)CC1=O	ZINC000225020687	538600394	/nfs/dbraw/zinc/60/03/94/538600394.db2.gz	YCUDRNJZFBYNPB-UHFFFAOYSA-N	-1	1	212.245	0.776	10	0		BCAEMM
N=c1ncn2[n-]c(-c3ccccc3)nc2n1	ZINC000584652190	358306882	/nfs/dbraw/zinc/30/68/82/358306882.db2.gz	GPXGKPDKNYPNCJ-UHFFFAOYSA-N	-1	1	212.216	0.599	10	0		BCAEMM
[NH3+]C[C@@H](NCc1ccccc1)P(=O)([O-])[O-]	ZINC000584652267	358307619	/nfs/dbraw/zinc/30/76/19/358307619.db2.gz	BOHBRZMQJLMRLD-VIFPVBQESA-N	-1	1	230.204	0.239	10	0		BCAEMM
C[C@@H]1CC[C@H](CSc2nnn[n-]2)O1	ZINC000306218695	359336914	/nfs/dbraw/zinc/33/69/14/359336914.db2.gz	LRUONZYRCCQYLH-PHDIDXHHSA-N	-1	1	200.267	0.859	10	0		BCAEMM
C[C@@H]1CC[C@H](CSc2nn[n-]n2)O1	ZINC000306218695	359336916	/nfs/dbraw/zinc/33/69/16/359336916.db2.gz	LRUONZYRCCQYLH-PHDIDXHHSA-N	-1	1	200.267	0.859	10	0		BCAEMM
C[C@H]1CC[C@@H](CSc2nnn[n-]2)O1	ZINC000306218697	359336950	/nfs/dbraw/zinc/33/69/50/359336950.db2.gz	LRUONZYRCCQYLH-WDSKDSINSA-N	-1	1	200.267	0.859	10	0		BCAEMM
C[C@H]1CC[C@@H](CSc2nn[n-]n2)O1	ZINC000306218697	359336955	/nfs/dbraw/zinc/33/69/55/359336955.db2.gz	LRUONZYRCCQYLH-WDSKDSINSA-N	-1	1	200.267	0.859	10	0		BCAEMM
Clc1cncnc1Sc1nn[n-]n1	ZINC000306474078	360097358	/nfs/dbraw/zinc/09/73/58/360097358.db2.gz	VNFFHDFYPKISMV-UHFFFAOYSA-N	-1	1	214.641	0.794	10	0		BCAEMM
C[C@H](CO)Sc1nc(N)cc(=O)[n-]1	ZINC000306521174	360358726	/nfs/dbraw/zinc/35/87/26/360358726.db2.gz	FSJATKIHSGYFFF-SCSAIBSYSA-N	-1	1	201.251	0.237	10	0		BCAEMM
NC(=O)c1cc(OC(F)(F)F)ncc1[O-]	ZINC000238617888	361166815	/nfs/dbraw/zinc/16/68/15/361166815.db2.gz	XSRLRFWYJCNLRA-UHFFFAOYSA-N	-1	1	222.122	0.785	10	0		BCAEMM
NC(=O)c1ncc([O-])cc1OC(F)(F)F	ZINC000238661465	361174137	/nfs/dbraw/zinc/17/41/37/361174137.db2.gz	AYOZFFUPSVXILZ-UHFFFAOYSA-N	-1	1	222.122	0.785	10	0		BCAEMM
O=C([O-])[C@@H](O)c1cccc([N+](=O)[O-])c1O	ZINC000238684158	361178960	/nfs/dbraw/zinc/17/89/60/361178960.db2.gz	ZCMYYWJQOQYHDB-ZETCQYMHSA-N	-1	1	213.145	0.418	10	0		BCAEMM
CNC(=O)[C@H](C)N1CCC[C@@]1(C)C(=O)[O-]	ZINC000070618252	361644945	/nfs/dbraw/zinc/64/49/45/361644945.db2.gz	DRTDTYGVENZFEQ-XVKPBYJWSA-N	-1	1	214.265	0.060	10	0		BCAEMM
NCC(=O)N(CC(=O)[O-])c1ccc(Cl)cc1	ZINC000040484700	181348180	/nfs/dbraw/zinc/34/81/80/181348180.db2.gz	BNNPEDYVIPREDG-UHFFFAOYSA-N	-1	1	242.662	0.716	10	0		BCAEMM
NCC(=O)Nc1cc(C(=O)[O-])ccc1F	ZINC000037043357	181355917	/nfs/dbraw/zinc/35/59/17/181355917.db2.gz	PHTJOZCYGZENSS-UHFFFAOYSA-N	-1	1	212.180	0.421	10	0		BCAEMM
CN(C)CC(=O)N[C@@H]1C[C@@H]2C[C@@H](C(=O)[O-])C[C@@H]12	ZINC000725263390	541336264	/nfs/dbraw/zinc/33/62/64/541336264.db2.gz	XRTBISMGDSCUAW-SGIHWFKDSA-N	-1	1	240.303	0.164	10	0		BCAEMM
O=C([O-])c1cn2cc(-c3cn[nH]n3)ccc2n1	ZINC000116963299	370857759	/nfs/dbraw/zinc/85/77/59/370857759.db2.gz	FMRCUZIBHZXHNK-UHFFFAOYSA-N	-1	1	229.199	0.818	10	0		BCAEMM
CCC1([C@@H](C)C[C@@H](C)O)C(=O)[N-]C(=O)NC1=O	ZINC000005819449	369029855	/nfs/dbraw/zinc/02/98/55/369029855.db2.gz	XYOPMDJVSWQZTM-NKWVEPMBSA-N	-1	1	242.275	0.156	10	0		BCAEMM
C[C@]1([C@@H]2CCOC2)N[C@@H](C(=O)[O-])CS1	ZINC000229650039	372177545	/nfs/dbraw/zinc/17/75/45/372177545.db2.gz	OTZFPHJYQDWMFR-BHNWBGBOSA-N	-1	1	217.290	0.529	10	0		BCAEMM
O=C([O-])[C@H]1CSC2(CCSCC2)N1	ZINC000039438153	372972342	/nfs/dbraw/zinc/97/23/42/372972342.db2.gz	DAMJJKUKVCVCEL-ZCFIWIBFSA-N	-1	1	219.331	0.999	10	0		BCAEMM
O=C([O-])C1(NC(=O)c2cnn[nH]2)CCCCC1	ZINC000070142891	182089767	/nfs/dbraw/zinc/08/97/67/182089767.db2.gz	JKZJOGUIHBLCKJ-UHFFFAOYSA-N	-1	1	238.247	0.322	10	0		BCAEMM
O=c1[nH][n-]c(O)c1[C@@H]1CSCCN1	ZINC000105683537	183306712	/nfs/dbraw/zinc/30/67/12/183306712.db2.gz	AAVWDBWUNODKMS-BYPYZUCNSA-N	-1	1	201.251	0.198	10	0		BCAEMM
CCCN1CCN(C(=O)CCC(=O)[O-])CC1	ZINC000022212318	169201860	/nfs/dbraw/zinc/20/18/60/169201860.db2.gz	DMWFDKRIAMGUIO-UHFFFAOYSA-N	-1	1	228.292	0.405	10	0		BCAEMM
CCCNC(=O)[C@H](C)N[C@@H](CCC)C(=O)[O-]	ZINC000036840008	169247265	/nfs/dbraw/zinc/24/72/65/169247265.db2.gz	GFLDOTMANWQOHN-IUCAKERBSA-N	-1	1	230.308	0.744	10	0		BCAEMM
CCC[C@@H](NCC(=O)N[C@@H](C)CC)C(=O)[O-]	ZINC000036839040	169399261	/nfs/dbraw/zinc/39/92/61/169399261.db2.gz	SAOCSFIXZIGLTR-DTWKUNHWSA-N	-1	1	230.308	0.744	10	0		BCAEMM
CCC[C@@H](NCC(=O)N[C@H](C)CC)C(=O)[O-]	ZINC000036839043	169399435	/nfs/dbraw/zinc/39/94/35/169399435.db2.gz	SAOCSFIXZIGLTR-RKDXNWHRSA-N	-1	1	230.308	0.744	10	0		BCAEMM
C[C@H]1OCC[C@H]1NC(=O)c1cncc([O-])c1	ZINC000134566305	384367453	/nfs/dbraw/zinc/36/74/53/384367453.db2.gz	JHQNDTSJHZTYQL-GMSGAONNSA-N	-1	1	222.244	0.694	10	0		BCAEMM
NC(=O)N1CC[C@H](c2nn[n-]n2)c2ccccc21	ZINC000616676040	384412890	/nfs/dbraw/zinc/41/28/90/384412890.db2.gz	PNCPQEQTMPSEKT-QMMMGPOBSA-N	-1	1	244.258	0.620	10	0		BCAEMM
COc1cc([O-])c(F)c(S(N)(=O)=O)c1	ZINC000575706207	384799438	/nfs/dbraw/zinc/79/94/38/384799438.db2.gz	TUKRZIHLZUAFPV-UHFFFAOYSA-N	-1	1	221.209	0.187	10	0		BCAEMM
Cc1c(N)cccc1NCc1nn[n-]n1	ZINC000062725201	385183125	/nfs/dbraw/zinc/18/31/25/385183125.db2.gz	JAUPUYPLBZMVEX-UHFFFAOYSA-N	-1	1	204.237	0.702	10	0		BCAEMM
CCc1c([O-])[nH]c(=O)n(Cc2ccccc2)c1=O	ZINC000156844223	385288766	/nfs/dbraw/zinc/28/87/66/385288766.db2.gz	IBBFMDZJIQBPTI-UHFFFAOYSA-N	-1	1	246.266	0.853	10	0		BCAEMM
COC[C@@H](C)C(=O)[N-]OCc1cccnc1	ZINC000155814491	385414373	/nfs/dbraw/zinc/41/43/73/385414373.db2.gz	KDNYQOSVJJJTBM-SECBINFHSA-N	-1	1	224.260	0.912	10	0		BCAEMM
Cc1cc(C=O)cnc1[N-]S(C)(=O)=O	ZINC000211612226	385687095	/nfs/dbraw/zinc/68/70/95/385687095.db2.gz	MXEVITFUPVNRGX-UHFFFAOYSA-N	-1	1	214.246	0.574	10	0		BCAEMM
COC(=O)Cc1c[n-]n(-c2ccccc2)c1=O	ZINC000261216058	387159031	/nfs/dbraw/zinc/15/90/31/387159031.db2.gz	KMWUEPIKHFRNDU-UHFFFAOYSA-N	-1	1	232.239	0.881	10	0		BCAEMM
CSc1cc(S(N)(=O)=O)cc([O-])c1F	ZINC000575702284	387406850	/nfs/dbraw/zinc/40/68/50/387406850.db2.gz	CJEJESXTLSHDCE-UHFFFAOYSA-N	-1	1	237.277	0.901	10	0		BCAEMM
O=C(c1cncc([O-])c1)N1C[C@@H](F)C[C@H]1CO	ZINC000347404048	387959551	/nfs/dbraw/zinc/95/95/51/387959551.db2.gz	FZEXCZVIJXQVNP-IUCAKERBSA-N	-1	1	240.234	0.332	10	0		BCAEMM
CC1CC(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)C1	ZINC000540424707	388806903	/nfs/dbraw/zinc/80/69/03/388806903.db2.gz	WAZRTCOINOJPFQ-HWOCKDDLSA-N	-1	1	249.318	0.952	10	0		BCAEMM
Cc1c(O)n(-c2ccccc2)c(=O)[nH]c1=O	ZINC000003630914	132315483	/nfs/dbraw/zinc/31/54/83/132315483.db2.gz	NYIHIUHCYVISJZ-SSDOTTSWSA-N	-1	1	218.212	0.906	10	0		BCAEMM
Cc1c([O-])n(-c2ccccc2)c(=O)[nH]c1=O	ZINC000003630914	132315484	/nfs/dbraw/zinc/31/54/84/132315484.db2.gz	NYIHIUHCYVISJZ-SSDOTTSWSA-N	-1	1	218.212	0.906	10	0		BCAEMM
N[C@@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)[O-]	ZINC000001584091	397917874	/nfs/dbraw/zinc/91/78/74/397917874.db2.gz	JAZXSGCVIRTMDJ-QMMMGPOBSA-N	-1	1	247.247	0.011	10	0		BCAEMM
COCCN(CC(=O)[O-])C[C@H](O)C(C)(C)C	ZINC000309131463	410259833	/nfs/dbraw/zinc/25/98/33/410259833.db2.gz	FRONCOMDQXYOQO-VIFPVBQESA-N	-1	1	233.308	0.426	10	0		BCAEMM
CC(C)[C@@H](C(=O)[O-])N1CCCC[C@@H]1C(N)=O	ZINC000042405327	167345450	/nfs/dbraw/zinc/34/54/50/167345450.db2.gz	LFWDIJSNZFDQQI-BDAKNGLRSA-N	-1	1	228.292	0.435	10	0		BCAEMM
C[C@H](NCC(=O)NC1CCC(C)CC1)C(=O)[O-]	ZINC000035387118	168161644	/nfs/dbraw/zinc/16/16/44/168161644.db2.gz	BTCILUKYIPUKBH-KYHHOPLUSA-N	-1	1	242.319	0.744	10	0		BCAEMM
CCC(=O)N1CCN([C@H](C)C(=O)[O-])CC1	ZINC000020180602	168220916	/nfs/dbraw/zinc/22/09/16/168220916.db2.gz	FGGANGBSAZAYLG-MRVPVSSYSA-N	-1	1	214.265	0.014	10	0		BCAEMM
CCNC(=O)c1cn(-c2ccc(=S)[n-]n2)cn1	ZINC000073666029	170104303	/nfs/dbraw/zinc/10/43/03/170104303.db2.gz	GDJXQMWLWPGRRE-UHFFFAOYSA-N	-1	1	249.299	0.701	10	0		BCAEMM
CCOC(=O)Cc1cc(C=O)c([O-])cn1	ZINC000095773925	170235374	/nfs/dbraw/zinc/23/53/74/170235374.db2.gz	YQSBEBJNRWVQQE-UHFFFAOYSA-N	-1	1	209.201	0.705	10	0		BCAEMM
CCOC(=O)N1CCN([C@H](C)CC(=O)[O-])CC1	ZINC000049478261	170239726	/nfs/dbraw/zinc/23/97/26/170239726.db2.gz	TVUUMOJJBCGSEP-SECBINFHSA-N	-1	1	244.291	0.624	10	0		BCAEMM
CCOC(=O)c1c[n-]c(=NN)nc1CC	ZINC000039084149	170301671	/nfs/dbraw/zinc/30/16/71/170301671.db2.gz	IKRXVWSIVLZAKH-UHFFFAOYSA-N	-1	1	210.237	0.501	10	0		BCAEMM
CCOC(=O)c1cnc(=NN)[n-]c1CC	ZINC000039084149	170301673	/nfs/dbraw/zinc/30/16/73/170301673.db2.gz	IKRXVWSIVLZAKH-UHFFFAOYSA-N	-1	1	210.237	0.501	10	0		BCAEMM
CC[C@H](C(=O)[O-])N1CCCC[C@@H]1C(=O)NC	ZINC000042423120	171235907	/nfs/dbraw/zinc/23/59/07/171235907.db2.gz	DEJXNYPRTQRTPF-RKDXNWHRSA-N	-1	1	228.292	0.450	10	0		BCAEMM
CC[C@H](C(=O)[O-])N1CC[S@](=O)[C@@H](C)C1	ZINC000306953034	171237706	/nfs/dbraw/zinc/23/77/06/171237706.db2.gz	HPJCXWIBPHTTDN-GIHMMQTOSA-N	-1	1	219.306	0.302	10	0		BCAEMM
CC[C@H](C)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)[O-]	ZINC000022221084	171253612	/nfs/dbraw/zinc/25/36/12/171253612.db2.gz	QGCIMTABCOHBSF-IONNQARKSA-N	-1	1	239.275	0.568	10	0		BCAEMM
CN(C(=O)CN)c1ccccc1C(=O)[O-]	ZINC000040470346	172307665	/nfs/dbraw/zinc/30/76/65/172307665.db2.gz	SFJCQTAXJODSEO-UHFFFAOYSA-N	-1	1	208.217	0.306	10	0		BCAEMM
CN1CC[C@@H](NC(=O)c2ncccc2C(=O)[O-])C1	ZINC000104348416	173123618	/nfs/dbraw/zinc/12/36/18/173123618.db2.gz	JSPVMYBKBRSQHM-MRVPVSSYSA-N	-1	1	249.270	0.214	10	0		BCAEMM
COC(=O)[C@H](C)Sc1nc(N)cc(=O)[n-]1	ZINC000048101556	173790397	/nfs/dbraw/zinc/79/03/97/173790397.db2.gz	ZLZKBYLHECMSDQ-BYPYZUCNSA-N	-1	1	229.261	0.006	10	0		BCAEMM
COCCN(CC(=O)[O-])[C@@H](C)COC	ZINC000042608346	174286672	/nfs/dbraw/zinc/28/66/72/174286672.db2.gz	OXMRLXDDXLAQDE-QMMMGPOBSA-N	-1	1	205.254	0.054	10	0		BCAEMM
COc1cccc2oc(-c3nn[n-]n3)cc(=O)c12	ZINC000005640660	175308653	/nfs/dbraw/zinc/30/86/53/175308653.db2.gz	FUTRGIVXNVZCQY-UHFFFAOYSA-N	-1	1	244.210	0.982	10	0		BCAEMM
COc1ccccc1[N-]S(=O)(=O)CCCO	ZINC000057535015	175338730	/nfs/dbraw/zinc/33/87/30/175338730.db2.gz	HVVLUIAFVDMWFQ-UHFFFAOYSA-N	-1	1	245.300	0.819	10	0		BCAEMM
C[C@@H](NCC(=O)N(C)Cc1ccco1)C(=O)[O-]	ZINC000035387113	175863057	/nfs/dbraw/zinc/86/30/57/175863057.db2.gz	ZPIREYNQPYVXOS-MRVPVSSYSA-N	-1	1	240.259	0.301	10	0		BCAEMM
C[C@H]1NC(=O)CC[C@H]1NC(=O)c1cncc([O-])c1	ZINC000282706869	177394151	/nfs/dbraw/zinc/39/41/51/177394151.db2.gz	YDZVITITCGOWFX-GMSGAONNSA-N	-1	1	249.270	0.184	10	0		BCAEMM
C[C@H]1CC[C@H](O)CN1C(=O)c1cncc([O-])c1	ZINC000399209662	262779789	/nfs/dbraw/zinc/77/97/89/262779789.db2.gz	QFOPCPGVYMKUEH-WPRPVWTQSA-N	-1	1	236.271	0.773	10	0		BCAEMM
O=C(N[C@@H]1COc2ccccc21)c1cnn[nH]1	ZINC000110448243	323118435	/nfs/dbraw/zinc/11/84/35/323118435.db2.gz	CYIBPACAEBPGQI-SECBINFHSA-N	-1	1	230.227	0.668	10	0		BCAEMM
C[C@H]1CC[C@@H](O)CN1C(=O)c1ncccc1[O-]	ZINC000399168128	323198566	/nfs/dbraw/zinc/19/85/66/323198566.db2.gz	FRCVFIYUAXZALU-DTWKUNHWSA-N	-1	1	236.271	0.773	10	0		BCAEMM
CCN1CCN(C[C@@H]2CC[C@H](C(=O)[O-])O2)CC1	ZINC000051395093	566493826	/nfs/dbraw/zinc/49/38/26/566493826.db2.gz	PZTHBQJPAUDJIH-WDEREUQCSA-N	-1	1	242.319	0.256	10	0		BCAEMM
Cc1cc[nH]c1C(=O)N1CCC[C@H]1c1nn[n-]n1	ZINC000900397423	584302549	/nfs/dbraw/zinc/30/25/49/584302549.db2.gz	VDPJURPVZRAIMQ-QMMMGPOBSA-N	-1	1	246.274	0.814	10	0		BCAEMM
COC(=O)c1n[n-]nc1-c1cnccn1	ZINC000260977797	585024482	/nfs/dbraw/zinc/02/44/82/585024482.db2.gz	PHRRIRXTJVZJCL-UHFFFAOYSA-N	-1	1	205.177	0.048	10	0		BCAEMM
O=C(c1ccoc1)N1CCC[C@@H]1c1nn[n-]n1	ZINC000095185175	635435280	/nfs/dbraw/zinc/43/52/80/635435280.db2.gz	MMXXLOLRNVALNU-MRVPVSSYSA-N	-1	1	233.231	0.770	10	0		BCAEMM
COC[C@@H](C)C(=O)[N-]OC[C@@H]1CCOC1	ZINC000189253174	634175469	/nfs/dbraw/zinc/17/54/69/634175469.db2.gz	PBXYZSZXODTCFI-RKDXNWHRSA-N	-1	1	217.265	0.353	10	0		BCAEMM
O=C([C@@H]1CCCO1)N1CCC[C@H]1c1nn[n-]n1	ZINC000095119921	635425028	/nfs/dbraw/zinc/42/50/28/635425028.db2.gz	XJLUZRBPARZGFX-YUMQZZPRSA-N	-1	1	237.263	0.042	10	0		BCAEMM
CSCC(=O)N1CCC[C@H]1c1nn[n-]n1	ZINC000095307420	641597693	/nfs/dbraw/zinc/59/76/93/641597693.db2.gz	NYYOVVFLFXVWRP-LURJTMIESA-N	-1	1	227.293	0.226	10	0		BCAEMM
CC(C)CC(=O)N1CCC[C@@H]1c1nn[n-]n1	ZINC000095198780	644744650	/nfs/dbraw/zinc/74/46/50/644744650.db2.gz	CZLFSJTXNLKTSU-MRVPVSSYSA-N	-1	1	223.280	0.909	10	0		BCAEMM
O=C([N-]OC1CCCC1)[C@@H]1CNC(=O)C1	ZINC000135133068	645877488	/nfs/dbraw/zinc/87/74/88/645877488.db2.gz	RWIXAJVUCOJDJL-ZETCQYMHSA-N	-1	1	212.249	0.113	10	0		BCAEMM
CCC[C@H](NCC(=O)N[C@H](C)C(C)C)C(=O)[O-]	ZINC000036840100	712500112	/nfs/dbraw/zinc/50/01/12/712500112.db2.gz	UPNBUIADJSOVGL-ZJUUUORDSA-N	-1	1	244.335	0.990	10	0		BCAEMM
COCC1CC(NC(=O)c2cncc([O-])c2)C1	ZINC000714013216	712477289	/nfs/dbraw/zinc/47/72/89/712477289.db2.gz	XAWZSWACEAWJEW-UHFFFAOYSA-N	-1	1	236.271	0.942	10	0		BCAEMM
C[C@@H](NC(=O)c1cncc([O-])c1)c1cn(C)nn1	ZINC000720603194	712857593	/nfs/dbraw/zinc/85/75/93/712857593.db2.gz	PKHXMDRTVUBGQC-SSDOTTSWSA-N	-1	1	247.258	0.407	10	0		BCAEMM
O=C([C@H]1C[C@H]2C[C@H]2C1)N1CCC[C@@H]1c1nn[n-]n1	ZINC000720632971	712860051	/nfs/dbraw/zinc/86/00/51/712860051.db2.gz	ADIGWAHQSIFGHD-XFWSIPNHSA-N	-1	1	247.302	0.909	10	0		BCAEMM
COC(=O)c1nn[n-]c1-c1ncccn1	ZINC000685953382	538898122	/nfs/dbraw/zinc/89/81/22/538898122.db2.gz	JNHXZOLROZTBRF-UHFFFAOYSA-N	-1	1	205.177	0.048	10	0		BCAEMM
COC(=O)c1[n-]nnc1-c1ncccn1	ZINC000685953382	538898123	/nfs/dbraw/zinc/89/81/23/538898123.db2.gz	JNHXZOLROZTBRF-UHFFFAOYSA-N	-1	1	205.177	0.048	10	0		BCAEMM
COC(=O)c1n[n-]nc1-c1ncccn1	ZINC000685953382	538898124	/nfs/dbraw/zinc/89/81/24/538898124.db2.gz	JNHXZOLROZTBRF-UHFFFAOYSA-N	-1	1	205.177	0.048	10	0		BCAEMM
COC(=O)c1[n-]nnc1-c1nncs1	ZINC000685952664	538896896	/nfs/dbraw/zinc/89/68/96/538896896.db2.gz	BTGSZJXZCZXODF-UHFFFAOYSA-N	-1	1	211.206	0.110	10	0		BCAEMM
COC(=O)c1n[n-]nc1-c1nncs1	ZINC000685952664	538896899	/nfs/dbraw/zinc/89/68/99/538896899.db2.gz	BTGSZJXZCZXODF-UHFFFAOYSA-N	-1	1	211.206	0.110	10	0		BCAEMM
CCOC(=O)c1nn[n-]c1[C@@H]1CCC[N@@H+]1C	ZINC000685952787	538896908	/nfs/dbraw/zinc/89/69/08/538896908.db2.gz	CEACHGIGVXRPRL-ZETCQYMHSA-N	-1	1	224.264	0.748	10	0		BCAEMM
Cc1cc(CNCc2nnn[n-]2)ccc1F	ZINC000050545719	178029850	/nfs/dbraw/zinc/02/98/50/178029850.db2.gz	MZIQAMDWCHQHFW-UHFFFAOYSA-N	-1	1	221.239	0.937	10	0		BCAEMM
Cc1cc(CNCc2nn[n-]n2)ccc1F	ZINC000050545719	178029852	/nfs/dbraw/zinc/02/98/52/178029852.db2.gz	MZIQAMDWCHQHFW-UHFFFAOYSA-N	-1	1	221.239	0.937	10	0		BCAEMM
Cc1cc([C@@H](N)c2nnn[n-]2)c(C)s1	ZINC000049688093	178237008	/nfs/dbraw/zinc/23/70/08/178237008.db2.gz	PJVFLJNTIYMNBR-SSDOTTSWSA-N	-1	1	209.278	0.926	10	0		BCAEMM
Nc1n[n-]c(=S)n1C[C@@H]1CCOC1	ZINC000070881991	361833920	/nfs/dbraw/zinc/83/39/20/361833920.db2.gz	NFRHJNCCJOYNGF-YFKPBYRVSA-N	-1	1	200.267	0.559	10	0		BCAEMM
Nc1n[n-]c(=S)n1[C@H]1CCCOC1	ZINC000070882266	361850234	/nfs/dbraw/zinc/85/02/34/361850234.db2.gz	VKRBRFISDKXZSF-YFKPBYRVSA-N	-1	1	200.267	0.874	10	0		BCAEMM
C[C@H]1OCC[C@@H]1n1c(=O)[n-][nH]c1=S	ZINC000134593393	342871447	/nfs/dbraw/zinc/87/14/47/342871447.db2.gz	YBMAUOQWSDBVJX-UHNVWZDZSA-N	-1	1	201.251	0.210	10	0		BCAEMM
C[C@H]1C[C@@]2(CCO1)N[C@@H](C(=O)[O-])CS2	ZINC000226595177	342899283	/nfs/dbraw/zinc/89/92/83/342899283.db2.gz	CPBVJURWEIWICM-OOZYFLPDSA-N	-1	1	217.290	0.671	10	0		BCAEMM
C[C@@H](CC(=O)[O-])N1CCN(CC(F)F)CC1	ZINC000575441626	398328338	/nfs/dbraw/zinc/32/83/38/398328338.db2.gz	MNBNBAORVSBKPU-QMMMGPOBSA-N	-1	1	236.262	0.732	10	0		BCAEMM
O=C([O-])N1CCNC[C@@H]1c1ccncc1	ZINC000165168708	343551269	/nfs/dbraw/zinc/55/12/69/343551269.db2.gz	GWUYATRBDKWHGE-SECBINFHSA-N	-1	1	207.233	0.706	10	0		BCAEMM
Clc1cc(NCc2nn[n-]n2)c(Cl)nn1	ZINC000127172292	343886967	/nfs/dbraw/zinc/88/69/67/343886967.db2.gz	PVVDJYQFSCJKAS-UHFFFAOYSA-N	-1	1	246.061	0.909	10	0		BCAEMM
CN1CC[C@H](Nc2nc(C(=O)[O-])co2)C1	ZINC000165872168	344170170	/nfs/dbraw/zinc/17/01/70/344170170.db2.gz	SAQPOPCRJHKJHR-LURJTMIESA-N	-1	1	211.221	0.489	10	0		BCAEMM
N#Cc1cc(O)c(C=O)c(CC(=O)[O-])c1	ZINC000396144172	344617559	/nfs/dbraw/zinc/61/75/59/344617559.db2.gz	CSSUAZWQCBLVEB-UHFFFAOYSA-N	-1	1	205.169	0.703	10	0		BCAEMM
COC(=O)c1cnc(-c2ccc[nH]2)[n-]c1=O	ZINC000300794972	537860044	/nfs/dbraw/zinc/86/00/44/537860044.db2.gz	ADFXKXTUDWSABW-UHFFFAOYSA-N	-1	1	219.200	0.964	10	0		BCAEMM
COC(=O)c1cnc([C@H](C)OC)[n-]c1=O	ZINC000300856870	537865339	/nfs/dbraw/zinc/86/53/39/537865339.db2.gz	IJSMIWJIDQSLGT-YFKPBYRVSA-N	-1	1	212.205	0.676	10	0		BCAEMM
CCN(CC)c1ncc(C(=O)OC)c(=O)[n-]1	ZINC000300966260	537873161	/nfs/dbraw/zinc/87/31/61/537873161.db2.gz	WGOIMFWQYODJHD-UHFFFAOYSA-N	-1	1	225.248	0.815	10	0		BCAEMM
COC(=O)[C@@H](N)Cc1cc(F)c([O-])c(F)c1	ZINC000044331780	345026701	/nfs/dbraw/zinc/02/67/01/345026701.db2.gz	LGSSAULFHIPAEA-QMMMGPOBSA-N	-1	1	231.198	0.713	10	0		BCAEMM
NC(=O)c1cc(=O)cc(OC(F)(F)F)[n-]1	ZINC000238615912	345091696	/nfs/dbraw/zinc/09/16/96/345091696.db2.gz	STPOVYDZBBWXEO-UHFFFAOYSA-N	-1	1	222.122	0.785	10	0		BCAEMM
Cn1c(=S)[n-]nc1N1CCCOCC1	ZINC000061920715	346180047	/nfs/dbraw/zinc/18/00/47/346180047.db2.gz	GSAODILJPOCNIQ-UHFFFAOYSA-N	-1	1	214.294	0.704	10	0		BCAEMM
CNC(=O)[C@H](C)N1CCC[C@]1(C)C(=O)[O-]	ZINC000251022081	362833936	/nfs/dbraw/zinc/83/39/36/362833936.db2.gz	DRTDTYGVENZFEQ-OIBJUYFYSA-N	-1	1	214.265	0.060	10	0		BCAEMM
CC(=O)CNC(=O)c1cc(F)ccc1[O-]	ZINC000149967335	347577350	/nfs/dbraw/zinc/57/73/50/347577350.db2.gz	DESJSSVRNPZYBZ-UHFFFAOYSA-N	-1	1	211.192	0.850	10	0		BCAEMM
Cc1cccnc1C(=O)N[C@H](C)c1nn[n-]n1	ZINC000051813496	179366167	/nfs/dbraw/zinc/36/61/67/179366167.db2.gz	WSFDGQVBIUDSJI-SSDOTTSWSA-N	-1	1	232.247	0.394	10	0		BCAEMM
CC(=O)CC(=O)[N-]C(=O)c1cccnc1	ZINC000196710371	187396417	/nfs/dbraw/zinc/39/64/17/187396417.db2.gz	YBZDRLFXIIUAQU-UHFFFAOYSA-N	-1	1	206.201	0.317	10	0		BCAEMM
CO[C@H](C)C(=O)C1=C([O-])CCCCC1=O	ZINC000725257736	538068449	/nfs/dbraw/zinc/06/84/49/538068449.db2.gz	WSKDPLGGZNEFRV-SSDOTTSWSA-N	-1	1	212.245	0.919	10	0		BCAEMM
CCOC(=O)c1n[n-]nc1-c1cnn(CC)n1	ZINC000725266642	538096741	/nfs/dbraw/zinc/09/67/41/538096741.db2.gz	ZGXWPEPJJHYOMX-UHFFFAOYSA-N	-1	1	236.235	0.260	10	0		BCAEMM
CC(C)N1CCOCC[C@@H]1c1nnn[n-]1	ZINC000616599639	350755324	/nfs/dbraw/zinc/75/53/24/350755324.db2.gz	TTXUNDODKSXEJU-MRVPVSSYSA-N	-1	1	211.269	0.372	10	0		BCAEMM
CC(C)N1CCOCC[C@@H]1c1nn[n-]n1	ZINC000616599639	350755326	/nfs/dbraw/zinc/75/53/26/350755326.db2.gz	TTXUNDODKSXEJU-MRVPVSSYSA-N	-1	1	211.269	0.372	10	0		BCAEMM
Nc1cncc(Br)c1NCC(=O)[O-]	ZINC000236371791	350736079	/nfs/dbraw/zinc/73/60/79/350736079.db2.gz	CSVAIJVSRNZFOL-UHFFFAOYSA-N	-1	1	246.064	0.923	10	0		BCAEMM
C[C@H]1C[C@@H]1[N-]S(=O)(=O)c1ncn(C)c1Cl	ZINC000052288767	350976269	/nfs/dbraw/zinc/97/62/69/350976269.db2.gz	WUTMAEGAOYHEOA-WDSKDSINSA-N	-1	1	249.723	0.760	10	0		BCAEMM
O=C([O-])N1CCC[C@H](c2nn[n-]n2)CC1	ZINC000616630132	351101920	/nfs/dbraw/zinc/10/19/20/351101920.db2.gz	PSMKDSBYORKGFO-LURJTMIESA-N	-1	1	211.225	0.447	10	0		BCAEMM
O=C([O-])N1CCC[C@H](c2nn[nH]n2)CC1	ZINC000616630132	351101924	/nfs/dbraw/zinc/10/19/24/351101924.db2.gz	PSMKDSBYORKGFO-LURJTMIESA-N	-1	1	211.225	0.447	10	0		BCAEMM
O=C([O-])N1CCCC[C@H](c2nn[nH]n2)C1	ZINC000616628157	351097826	/nfs/dbraw/zinc/09/78/26/351097826.db2.gz	KTKGIKHKBVZZQG-LURJTMIESA-N	-1	1	211.225	0.447	10	0		BCAEMM
CCOC(=O)N1CCCO[C@@H](c2nn[n-]n2)C1	ZINC000616651297	351181904	/nfs/dbraw/zinc/18/19/04/351181904.db2.gz	GURNAPRDXCWJAF-SSDOTTSWSA-N	-1	1	241.251	0.120	10	0		BCAEMM
NC(=O)N1c2ccccc2CC[C@H]1c1nn[n-]n1	ZINC000616669697	351229761	/nfs/dbraw/zinc/22/97/61/351229761.db2.gz	RRLRQVCDTUOXQH-VIFPVBQESA-N	-1	1	244.258	0.772	10	0		BCAEMM
NC(=O)N1C[C@@H](c2nn[n-]n2)Cc2ccccc21	ZINC000616691133	351259264	/nfs/dbraw/zinc/25/92/64/351259264.db2.gz	UBLLXXLRJHTCNJ-QMMMGPOBSA-N	-1	1	244.258	0.425	10	0		BCAEMM
O=C([O-])N1CCO[C@H](c2nnc[nH]2)CC1	ZINC000616664041	351216928	/nfs/dbraw/zinc/21/69/28/351216928.db2.gz	MFURVYKDVQBAOD-LURJTMIESA-N	-1	1	212.209	0.246	10	0		BCAEMM
O=C1CCC[C@H]1Sc1nccc(=O)[n-]1	ZINC000034980726	351373317	/nfs/dbraw/zinc/37/33/17/351373317.db2.gz	PSENTEXTECOXIB-SSDOTTSWSA-N	-1	1	210.258	0.984	10	0		BCAEMM
CN1CC[C@@H](Oc2ncc(C(=O)[O-])s2)C1	ZINC000307293783	351903042	/nfs/dbraw/zinc/90/30/42/351903042.db2.gz	OTQWWFBESOQSHC-ZCFIWIBFSA-N	-1	1	228.273	0.924	10	0		BCAEMM
O=S(=O)([N-]c1cncc(Cl)n1)NC1CC1	ZINC000161154856	363202264	/nfs/dbraw/zinc/20/22/64/363202264.db2.gz	ZZYVEACDHDMJBK-UHFFFAOYSA-N	-1	1	248.695	0.539	10	0		BCAEMM
CCc1nnc([C@H]2CC[C@H](C(=O)[O-])O2)[nH]1	ZINC000223142087	353140674	/nfs/dbraw/zinc/14/06/74/353140674.db2.gz	LPRQDWWHNFNZEC-PHDIDXHHSA-N	-1	1	211.221	0.672	10	0		BCAEMM
CC(C)=CCC1(C)C(=O)[N-]C(=O)NC1=O	ZINC000001844726	188096447	/nfs/dbraw/zinc/09/64/47/188096447.db2.gz	CVWHRDJDXCEZGH-UHFFFAOYSA-N	-1	1	210.233	0.715	10	0		BCAEMM
CC(C)=CC(=O)N1CCN(CC(=O)[O-])CC1	ZINC000035680163	188104466	/nfs/dbraw/zinc/10/44/66/188104466.db2.gz	MLXIUCDTYXZHDU-UHFFFAOYSA-N	-1	1	226.276	0.181	10	0		BCAEMM
O=C([O-])C[N@H+]1CC[C@@]2(CC[C@H](C(=O)[O-])C2)C1	ZINC000100281064	188149427	/nfs/dbraw/zinc/14/94/27/188149427.db2.gz	DCLIAMKPPYMOSM-GZMMTYOYSA-N	-1	1	227.260	0.648	10	0		BCAEMM
COc1ccncc1[N-]S(C)(=O)=O	ZINC000140042848	356453560	/nfs/dbraw/zinc/45/35/60/356453560.db2.gz	ZIVMQYZXKZYWGM-UHFFFAOYSA-N	-1	1	202.235	0.462	10	0		BCAEMM
O=C([O-])c1nnc2n1CCCN[C@@H]2CCF	ZINC000675069743	538498949	/nfs/dbraw/zinc/49/89/49/538498949.db2.gz	XTRRMHMZAILLCS-ZCFIWIBFSA-N	-1	1	228.227	0.370	10	0		BCAEMM
CCC(=O)C(C(=O)COC)=C([O-])CC	ZINC000230798126	538626736	/nfs/dbraw/zinc/62/67/36/538626736.db2.gz	LBTBHINKRXBXPR-UHFFFAOYSA-N	-1	1	200.234	0.776	10	0		BCAEMM
Cc1nnsc1-c1nc(N)[n-]c(=S)n1	ZINC000137344757	538871804	/nfs/dbraw/zinc/87/18/04/538871804.db2.gz	QSZAMDRYRADQBA-UHFFFAOYSA-N	-1	1	226.290	0.569	10	0		BCAEMM
Cn1cc(-c2nc(N)[n-]c(=S)n2)cn1	ZINC000137340269	538872238	/nfs/dbraw/zinc/87/22/38/538872238.db2.gz	ADRIVKZRVPATRV-UHFFFAOYSA-N	-1	1	208.250	0.143	10	0		BCAEMM
C[C@H]1CCC[C@H]1C(=O)NCc1nn[n-]n1	ZINC000230172161	491127909	/nfs/dbraw/zinc/12/79/09/491127909.db2.gz	QGDYALVDDHGTIL-NKWVEPMBSA-N	-1	1	209.253	0.252	10	0		BCAEMM
NC(=O)CSCC(=O)c1ccc([O-])cc1	ZINC000300836712	360532393	/nfs/dbraw/zinc/53/23/93/360532393.db2.gz	PWEBDJPBEUJWBQ-UHFFFAOYSA-N	-1	1	225.269	0.793	10	0		BCAEMM
C[C@H]1CC(N)=NN1c1nc(C(=O)[O-])cs1	ZINC000045809400	200655690	/nfs/dbraw/zinc/65/56/90/200655690.db2.gz	IAJOOCPZZUVGHU-BYPYZUCNSA-N	-1	1	226.261	0.712	10	0		BCAEMM
COc1cc(C(=O)CO)cc(OC)c1[O-]	ZINC000000900176	360883516	/nfs/dbraw/zinc/88/35/16/360883516.db2.gz	ZTBAPEIDNUHRNC-UHFFFAOYSA-N	-1	1	212.201	0.584	10	0	endogenous,in-man	BCAEMM
CNC(=O)[C@@H](C)N1CCC[C@@]1(C)C(=O)[O-]	ZINC000070618253	361645047	/nfs/dbraw/zinc/64/50/47/361645047.db2.gz	DRTDTYGVENZFEQ-XCBNKYQSSA-N	-1	1	214.265	0.060	10	0		BCAEMM
NCC(=O)Nc1ccc(F)c(C(=O)[O-])c1	ZINC000037043311	181355617	/nfs/dbraw/zinc/35/56/17/181355617.db2.gz	ADPIYDWBSIXSNX-UHFFFAOYSA-N	-1	1	212.180	0.421	10	0		BCAEMM
O=c1ccnc(S[C@@H]2CCC[C@H]2O)[n-]1	ZINC000037696955	364530993	/nfs/dbraw/zinc/53/09/93/364530993.db2.gz	BMKARZDDFVPPLO-RNFRBKRXSA-N	-1	1	212.274	0.775	10	0		BCAEMM
O=[P@@]([O-])(O)[C@H](O)c1cccc2c1OCO2	ZINC000215154623	368401773	/nfs/dbraw/zinc/40/17/73/368401773.db2.gz	ANLBPYLTQFKKJW-QMMMGPOBSA-N	-1	1	232.128	0.584	10	0		BCAEMM
NC(=O)N1CCc2ccccc2[C@@H]1c1nn[n-]n1	ZINC000616693515	369115698	/nfs/dbraw/zinc/11/56/98/369115698.db2.gz	YXHIXQSSQZYBCE-SECBINFHSA-N	-1	1	244.258	0.226	10	0		BCAEMM
NC(=O)N1c2ccccc2NC[C@@H]1c1nn[n-]n1	ZINC000616692559	369114847	/nfs/dbraw/zinc/11/48/47/369114847.db2.gz	WXFJOHQSFFRHHM-MRVPVSSYSA-N	-1	1	245.246	0.252	10	0		BCAEMM
Nc1cc(=O)[n-]c(S[C@H]2CCCC[C@@H]2O)n1	ZINC000037490994	181675843	/nfs/dbraw/zinc/67/58/43/181675843.db2.gz	KOVPJZYHDXSTBX-BQBZGAKWSA-N	-1	1	241.316	0.748	10	0		BCAEMM
Fc1cnc(Cl)nc1NCc1nn[n-]n1	ZINC000229296245	372137131	/nfs/dbraw/zinc/13/71/31/372137131.db2.gz	MYIACEJPXYINQZ-UHFFFAOYSA-N	-1	1	229.606	0.394	10	0		BCAEMM
Cc1c([O-])[nH]c(=O)n(Cc2ccccc2)c1=O	ZINC000142956752	374118071	/nfs/dbraw/zinc/11/80/71/374118071.db2.gz	IKRKLQSAKDFPCB-QMMMGPOBSA-N	-1	1	232.239	0.901	10	0		BCAEMM
CS(=O)(=O)c1ccc2occ([O-])c2c1	ZINC000142848342	374106298	/nfs/dbraw/zinc/10/62/98/374106298.db2.gz	RFGJDWPYVMTQCL-UHFFFAOYSA-N	-1	1	212.226	0.665	10	0		BCAEMM
O=C(NCc1cn[nH]c1)c1ncccc1[O-]	ZINC000038006700	182270182	/nfs/dbraw/zinc/27/01/82/182270182.db2.gz	OOHAGWXQRIXZJI-UHFFFAOYSA-N	-1	1	218.216	0.440	10	0		BCAEMM
CCCCOC(=O)[C@@H](N)CCC(=O)[O-]	ZINC000002564532	168886020	/nfs/dbraw/zinc/88/60/20/168886020.db2.gz	AZMOQIQEIZNEFH-ZETCQYMHSA-N	-1	1	203.238	0.522	10	0		BCAEMM
O=c1c2c([n-]n1[C@@H]1CCS(=O)(=O)C1)CCC2	ZINC000103751872	182841500	/nfs/dbraw/zinc/84/15/00/182841500.db2.gz	NXCBETRTWBMEBP-SFYZADRCSA-N	-1	1	242.300	0.172	10	0		BCAEMM
CCCNC(=O)CN[C@@H](CCC)C(=O)[O-]	ZINC000036839300	169226881	/nfs/dbraw/zinc/22/68/81/169226881.db2.gz	VZUWHPAVBOPGEO-QMMMGPOBSA-N	-1	1	216.281	0.356	10	0		BCAEMM
CCC[C@@H](NCC(=O)NCC1CCC1)C(=O)[O-]	ZINC000185029044	169399477	/nfs/dbraw/zinc/39/94/77/169399477.db2.gz	MSSBGONLIREGIH-SNVBAGLBSA-N	-1	1	242.319	0.746	10	0		BCAEMM
COC(=O)c1nc(Br)c[n-]1	ZINC000095830264	384399877	/nfs/dbraw/zinc/39/98/77/384399877.db2.gz	KGKFOCSHGUXYLA-UHFFFAOYSA-N	-1	1	205.011	0.959	10	0		BCAEMM
O=C([O-])[C@@H]1CNCCN1C(=O)c1cccs1	ZINC000084022926	384828622	/nfs/dbraw/zinc/82/86/22/384828622.db2.gz	MMQYNFHMOIEHFV-ZETCQYMHSA-N	-1	1	240.284	0.247	10	0		BCAEMM
C[C@H](NCc1n[nH]c(=O)[n-]1)[C@@H]1CCCO1	ZINC000336751633	386011392	/nfs/dbraw/zinc/01/13/92/386011392.db2.gz	GNZJHOWDOGRKNG-BQBZGAKWSA-N	-1	1	212.253	0.167	10	0		BCAEMM
O=C([O-])CCNCC(=O)c1ccncc1	ZINC000005778206	386815848	/nfs/dbraw/zinc/81/58/48/386815848.db2.gz	NNVBAKRJHHNERW-UHFFFAOYSA-N	-1	1	208.217	0.329	10	0		BCAEMM
COC(=O)Cc1cc([O-])c([N+](=O)[O-])cc1N	ZINC000575638620	387832410	/nfs/dbraw/zinc/83/24/10/387832410.db2.gz	DWUNZMJOCWYGJU-UHFFFAOYSA-N	-1	1	226.188	0.598	10	0		BCAEMM
COC(=O)Cc1c(N)cc([N+](=O)[O-])cc1[O-]	ZINC000575638534	387837238	/nfs/dbraw/zinc/83/72/38/387837238.db2.gz	CKMXQKXBCSNPFW-UHFFFAOYSA-N	-1	1	226.188	0.598	10	0		BCAEMM
CCOc1c(C#N)ccc(C(N)=O)c1[O-]	ZINC000575646860	387881416	/nfs/dbraw/zinc/88/14/16/387881416.db2.gz	WXVYJEVLXPTEJG-UHFFFAOYSA-N	-1	1	206.201	0.761	10	0		BCAEMM
O=C([O-])C1CC(NC(=O)C(F)(F)F)C1	ZINC000575478686	388859957	/nfs/dbraw/zinc/85/99/57/388859957.db2.gz	JHWLNWGEMAKUAO-UHFFFAOYSA-N	-1	1	211.139	0.528	10	0		BCAEMM
O=c1[n-]c(N2CCOCC2)nc2c1CCC2	ZINC000005423658	132308851	/nfs/dbraw/zinc/30/88/51/132308851.db2.gz	DZQPZSMOSWJWOZ-UHFFFAOYSA-N	-1	1	221.260	0.095	10	0		BCAEMM
Cc1[nH]n(CC(C)C)c(=O)c1CC(=O)[O-]	ZINC000096955652	168134597	/nfs/dbraw/zinc/13/45/97/168134597.db2.gz	QISURKCELIVTKF-QMMMGPOBSA-N	-1	1	212.249	0.951	10	0		BCAEMM
O=C([O-])N1CCCOC[C@@H]1c1cnc[nH]1	ZINC000616648977	411410819	/nfs/dbraw/zinc/41/08/19/411410819.db2.gz	ZWMLDORBXJZGDA-MRVPVSSYSA-N	-1	1	211.221	0.851	10	0		BCAEMM
CCOC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-]	ZINC000036988627	170243344	/nfs/dbraw/zinc/24/33/44/170243344.db2.gz	XSDVNQZWTFDETM-ZETCQYMHSA-N	-1	1	227.220	0.152	10	0		BCAEMM
Nc1cc([C@@H]2CNCCN2C(=O)[O-])ccn1	ZINC000616635538	411947153	/nfs/dbraw/zinc/94/71/53/411947153.db2.gz	HCIXVZKYVQXRLQ-QMMMGPOBSA-N	-1	1	222.248	0.288	10	0		BCAEMM
CN(C)C(=O)c1ccc(C(N)=O)cc1[O-]	ZINC000095711510	172390063	/nfs/dbraw/zinc/39/00/63/172390063.db2.gz	QVZZOSNMAXFYAL-UHFFFAOYSA-N	-1	1	208.217	0.193	10	0		BCAEMM
COCCNC(=O)CSc1nccc(=O)[n-]1	ZINC000008012955	174321631	/nfs/dbraw/zinc/32/16/31/174321631.db2.gz	XUWAHQIKFJIATC-UHFFFAOYSA-N	-1	1	243.288	0.037	10	0		BCAEMM
COc1c(O)cc([C@@H](N)C(=O)[O-])cc1O	ZINC000038283894	174934943	/nfs/dbraw/zinc/93/49/43/174934943.db2.gz	BSBIBZWVRWBOSX-SSDOTTSWSA-N	-1	1	213.189	0.191	10	0		BCAEMM
C[C@H](Nc1ccc(N)cn1)c1nn[n-]n1	ZINC000044925118	176934136	/nfs/dbraw/zinc/93/41/36/176934136.db2.gz	DJYZJPKVSHUMQP-YFKPBYRVSA-N	-1	1	205.225	0.350	10	0		BCAEMM
C[C@H]1CCCCN1C(=O)CNCC(=O)[O-]	ZINC000035385428	177072549	/nfs/dbraw/zinc/07/25/49/177072549.db2.gz	VJUSNVAXMCIPPP-QMMMGPOBSA-N	-1	1	214.265	0.062	10	0		BCAEMM
C[C@@H]1[C@@H](C)CCC[C@@H]1NC(=O)CNCC(=O)[O-]	ZINC000035385497	177135632	/nfs/dbraw/zinc/13/56/32/177135632.db2.gz	QUHODSNDYRGWSF-AEJSXWLSSA-N	-1	1	242.319	0.602	10	0		BCAEMM
C[C@H]1NC(=O)CC[C@H]1NC(=O)c1ncccc1[O-]	ZINC000282237242	177394173	/nfs/dbraw/zinc/39/41/73/177394173.db2.gz	ROQCTILJDJUMMR-HTQZYQBOSA-N	-1	1	249.270	0.184	10	0		BCAEMM
C[C@H]1C[C@H](O)CN(C(=O)c2cncc([O-])c2)C1	ZINC000401767822	226362082	/nfs/dbraw/zinc/36/20/82/226362082.db2.gz	VLNGGELSSWNNQK-KWQFWETISA-N	-1	1	236.271	0.630	10	0		BCAEMM
O=C(N[C@@H]1CCC[C@H](O)C1)c1ncccc1[O-]	ZINC000679370244	488347716	/nfs/dbraw/zinc/34/77/16/488347716.db2.gz	OQDFUHUKGGLABV-BDAKNGLRSA-N	-1	1	236.271	0.821	10	0		BCAEMM
O=c1cc([O-])[nH]c(=S)n1C[C@H]1CCCO1	ZINC000095096530	527483527	/nfs/dbraw/zinc/48/35/27/527483527.db2.gz	CFNNHDIZXLMIFZ-ZCFIWIBFSA-N	-1	1	228.273	0.790	10	0		BCAEMM
O=c1cc([O-])n(C[C@H]2CCCO2)c(=S)[nH]1	ZINC000095096530	527483537	/nfs/dbraw/zinc/48/35/37/527483537.db2.gz	CFNNHDIZXLMIFZ-ZCFIWIBFSA-N	-1	1	228.273	0.790	10	0		BCAEMM
COC(=O)c1cnc([C@@H]2CCCO2)[n-]c1=O	ZINC000300797851	566322591	/nfs/dbraw/zinc/32/25/91/566322591.db2.gz	ANNGVLVZHSUOOA-ZETCQYMHSA-N	-1	1	224.216	0.820	10	0		BCAEMM
CCC/C(=C/[C@H]([NH3+])C(=O)[O-])C[P@](=O)([O-])O	ZINC000005819302	560203201	/nfs/dbraw/zinc/20/32/01/560203201.db2.gz	ZEFQYTSQDVUMEU-NGAMADIESA-N	-1	1	237.192	0.303	10	0	in-vitro	BCAEMM
CC(C)Cc1nn2c(c1C(=O)[O-])CNCC2	ZINC000757171564	582551205	/nfs/dbraw/zinc/55/12/05/582551205.db2.gz	FVWUPDCLSHOBDD-UHFFFAOYSA-N	-1	1	223.276	0.883	10	0		BCAEMM
NC(=O)[C@@H]1CCN1CCCCCC(=O)[O-]	ZINC000757144141	586428342	/nfs/dbraw/zinc/42/83/42/586428342.db2.gz	ITKANOPFAWCOOU-QMMMGPOBSA-N	-1	1	214.265	0.191	10	0		BCAEMM
N[C@]1(c2noc(CCC(=O)[O-])n2)CCSC1	ZINC000757182449	586433684	/nfs/dbraw/zinc/43/36/84/586433684.db2.gz	IXXHZNKITLUPFK-SECBINFHSA-N	-1	1	243.288	0.378	10	0		BCAEMM
O=C(CC(F)(F)F)N1CCC[C@H]1c1nn[n-]n1	ZINC000095119971	635426850	/nfs/dbraw/zinc/42/68/50/635426850.db2.gz	MEYCYWBAUWKBJV-YFKPBYRVSA-N	-1	1	249.196	0.816	10	0		BCAEMM
C[C@@H](O)[C@@H](C)NC(=O)c1ncccc1[O-]	ZINC000346386580	637096719	/nfs/dbraw/zinc/09/67/19/637096719.db2.gz	QWMDIGCCZCWUCC-RNFRBKRXSA-N	-1	1	210.233	0.286	10	0		BCAEMM
CCC[C@@H](N[C@H]1CCN(C(C)C)C1=O)C(=O)[O-]	ZINC000185053783	643261380	/nfs/dbraw/zinc/26/13/80/643261380.db2.gz	OUBIASUBPMLTII-VHSXEESVSA-N	-1	1	242.319	0.839	10	0		BCAEMM
CCC[C@@H](N[C@@H](C)C(=O)NCC(C)C)C(=O)[O-]	ZINC000036839985	712499710	/nfs/dbraw/zinc/49/97/10/712499710.db2.gz	RMPNVVPMYZSSQC-VHSXEESVSA-N	-1	1	244.335	0.990	10	0		BCAEMM
C[C@H](O)[C@H](C)[N-]S(=O)(=O)c1ccns1	ZINC000717784722	712676178	/nfs/dbraw/zinc/67/61/78/712676178.db2.gz	AVMYVWKXGQKARC-WDSKDSINSA-N	-1	1	236.318	0.191	10	0		BCAEMM
CC1CC(C(=O)N2CCC[C@@H]2c2nn[n-]n2)C1	ZINC000720634755	712860066	/nfs/dbraw/zinc/86/00/66/712860066.db2.gz	QOUMWAOEZQYDTC-AMDVSUOASA-N	-1	1	235.291	0.909	10	0		BCAEMM
CC1CC(C(=O)N2CCC(c3nn[n-]n3)CC2)C1	ZINC000720645395	712860651	/nfs/dbraw/zinc/86/06/51/712860651.db2.gz	YPEQIMMUFCLGEE-UHFFFAOYSA-N	-1	1	249.318	0.952	10	0		BCAEMM
O=C(C1CC=CC1)N1CCC[C@H]1c1nn[n-]n1	ZINC000720653827	712860850	/nfs/dbraw/zinc/86/08/50/712860850.db2.gz	MLAYZWLYXCUVTP-VIFPVBQESA-N	-1	1	233.275	0.829	10	0		BCAEMM
C[C@H](C(=O)N1CCC[C@@H]1c1nn[n-]n1)C1CC1	ZINC000720653246	712861078	/nfs/dbraw/zinc/86/10/78/712861078.db2.gz	DOOSNVJNMQKSTC-IONNQARKSA-N	-1	1	235.291	0.909	10	0		BCAEMM
CCOC(=O)c1[n-]nnc1[C@@H]1CCCO1	ZINC000685953506	538898318	/nfs/dbraw/zinc/89/83/18/538898318.db2.gz	LADATNMMXYQDFL-LURJTMIESA-N	-1	1	211.221	0.833	10	0		BCAEMM
CCOC(=O)c1nn[n-]c1[C@@H]1CCCO1	ZINC000685953506	538898319	/nfs/dbraw/zinc/89/83/19/538898319.db2.gz	LADATNMMXYQDFL-LURJTMIESA-N	-1	1	211.221	0.833	10	0		BCAEMM
CCOC(=O)c1n[n-]nc1[C@@H]1CCCO1	ZINC000685953506	538898320	/nfs/dbraw/zinc/89/83/20/538898320.db2.gz	LADATNMMXYQDFL-LURJTMIESA-N	-1	1	211.221	0.833	10	0		BCAEMM
CCOC(=O)c1n[n-]nc1-c1cnns1	ZINC000685953246	538897402	/nfs/dbraw/zinc/89/74/02/538897402.db2.gz	IBRNCTZSHXVKEK-UHFFFAOYSA-N	-1	1	225.233	0.500	10	0		BCAEMM
O=C([O-])[C@H]1CS[C@@H](C2CCOCC2)N1	ZINC000052175665	398190279	/nfs/dbraw/zinc/19/02/79/398190279.db2.gz	GNGZRMMEOSFJAG-SFYZADRCSA-N	-1	1	217.290	0.529	10	0		BCAEMM
COC(=O)N1CCCCC[C@@H]1c1nn[n-]n1	ZINC000616622709	398207254	/nfs/dbraw/zinc/20/72/54/398207254.db2.gz	OIUJTNPDNFDDCM-SSDOTTSWSA-N	-1	1	225.252	0.883	10	0		BCAEMM
Cc1cc(=O)[n-]c(SC[C@@H]2CCC(=O)O2)n1	ZINC000008548778	342800466	/nfs/dbraw/zinc/80/04/66/342800466.db2.gz	PFNFJOLSPGIWEM-ZETCQYMHSA-N	-1	1	240.284	0.876	10	0		BCAEMM
CCc1[nH]c(=O)[n-]c(=O)c1Br	ZINC000039630852	343390914	/nfs/dbraw/zinc/39/09/14/343390914.db2.gz	IATIGENTEQUFJC-UHFFFAOYSA-N	-1	1	219.038	0.388	10	0		BCAEMM
CC(=O)N1CCNC[C@H]1c1ccccc1C(=O)[O-]	ZINC000616638203	343528950	/nfs/dbraw/zinc/52/89/50/343528950.db2.gz	GZFWXYXYFNBLOM-LBPRGKRZSA-N	-1	1	248.282	0.878	10	0		BCAEMM
CCOC(=O)Nc1c(O)nc(N)[n-]c1=O	ZINC000114321904	343764171	/nfs/dbraw/zinc/76/41/71/343764171.db2.gz	RQRTZWLAEIQXNZ-UHFFFAOYSA-N	-1	1	214.181	0.038	10	0		BCAEMM
CCN(CC)Cc1ncc(C(=O)[O-])c(=O)[nH]1	ZINC000328358263	537829256	/nfs/dbraw/zinc/82/92/56/537829256.db2.gz	PILSZZRJDGPNET-UHFFFAOYSA-N	-1	1	225.248	0.722	10	0		BCAEMM
CCCCn1c([O-])c(F)c(=O)[nH]c1=O	ZINC000159072079	347009198	/nfs/dbraw/zinc/00/91/98/347009198.db2.gz	WTAUWXOQHHPTFT-UHFFFAOYSA-N	-1	1	202.185	0.181	10	0		BCAEMM
Brc1nnc(-c2cn[n-]n2)o1	ZINC000157816613	343919508	/nfs/dbraw/zinc/91/95/08/343919508.db2.gz	DUTXSLJYEGWYEL-UHFFFAOYSA-N	-1	1	215.998	0.617	10	0		BCAEMM
CNC(=O)c1c(C)[n-]c(=O)nc1SC	ZINC000070024244	343947003	/nfs/dbraw/zinc/94/70/03/343947003.db2.gz	ALVMROPETMUSMB-UHFFFAOYSA-N	-1	1	213.262	0.572	10	0		BCAEMM
C[C@]1(C(=O)[O-])CCN(Cc2ncno2)C1	ZINC000070798249	343955822	/nfs/dbraw/zinc/95/58/22/343955822.db2.gz	UXCGOULMNCEXRO-VIFPVBQESA-N	-1	1	211.221	0.366	10	0		BCAEMM
N[C@H](Cc1c[nH]cn1)c1ocnc1C(=O)[O-]	ZINC000616569310	344170237	/nfs/dbraw/zinc/17/02/37/344170237.db2.gz	SMBWROFMFKEWGC-ZCFIWIBFSA-N	-1	1	222.204	0.338	10	0		BCAEMM
Cc1n[n-]c(=S)n1[C@H]1CCCNC1=O	ZINC000050396784	344682423	/nfs/dbraw/zinc/68/24/23/344682423.db2.gz	WGPBRHQKVADJHQ-LURJTMIESA-N	-1	1	212.278	0.700	10	0		BCAEMM
O=C([O-])[C@H](O)c1cccc([N+](=O)[O-])c1O	ZINC000238719957	344983280	/nfs/dbraw/zinc/98/32/80/344983280.db2.gz	ZCMYYWJQOQYHDB-SSDOTTSWSA-N	-1	1	213.145	0.418	10	0		BCAEMM
O=C([O-])[C@H](O)c1cc(O)ccc1[N+](=O)[O-]	ZINC000238719319	345116870	/nfs/dbraw/zinc/11/68/70/345116870.db2.gz	MVNLREFIXPSMEW-SSDOTTSWSA-N	-1	1	213.145	0.418	10	0		BCAEMM
Cc1nc2nc(=O)c3c(n2[n-]1)CO[C@@H]3C	ZINC000405854374	537906881	/nfs/dbraw/zinc/90/68/81/537906881.db2.gz	NNOCZTMTJVWFHF-SCSAIBSYSA-N	-1	1	206.205	0.317	10	0		BCAEMM
O=C([O-])C[N@H+]1CC[C@]2(CC[C@@H](C(=O)[O-])C2)C1	ZINC000095078199	346022130	/nfs/dbraw/zinc/02/21/30/346022130.db2.gz	DCLIAMKPPYMOSM-KCJUWKMLSA-N	-1	1	227.260	0.648	10	0		BCAEMM
C[C@@H](C(=O)[O-])c1nc[nH]c(=O)c1Cl	ZINC000167017797	346183605	/nfs/dbraw/zinc/18/36/05/346183605.db2.gz	RUMQGFFQEKPCIM-GSVOUGTGSA-N	-1	1	202.597	0.611	10	0		BCAEMM
NS(=O)(=O)[N-]c1cc(Cl)nc(Cl)n1	ZINC000236285584	346220740	/nfs/dbraw/zinc/22/07/40/346220740.db2.gz	VMZSRGCLOHKTSD-UHFFFAOYSA-N	-1	1	243.075	0.399	10	0		BCAEMM
Cc1cccc(NC(=O)CNCC(=O)[O-])c1C	ZINC000035385365	179128470	/nfs/dbraw/zinc/12/84/70/179128470.db2.gz	RNECFPABMODLAM-UHFFFAOYSA-N	-1	1	236.271	0.916	10	0		BCAEMM
Cc1cn([C@H]2CC[C@@H](CO)O2)c(=O)[n-]c1=S	ZINC000006491736	179560592	/nfs/dbraw/zinc/56/05/92/179560592.db2.gz	FLRWGUIHNUCNJN-JGVFFNPUSA-N	-1	1	242.300	0.884	10	0		BCAEMM
Cn1nccc1-c1c(C(=O)[O-])nc(N)n1C	ZINC000725257380	538064130	/nfs/dbraw/zinc/06/41/30/538064130.db2.gz	MMBIQOBRSQGYHL-UHFFFAOYSA-N	-1	1	221.220	0.101	10	0		BCAEMM
Cc1nc[nH]c1CN[C@H](C)c1nnn[n-]1	ZINC000054797375	180121422	/nfs/dbraw/zinc/12/14/22/180121422.db2.gz	LXPGJLURUVDVPE-ZCFIWIBFSA-N	-1	1	207.241	0.082	10	0		BCAEMM
CO[C@@H](C)C(=O)C1=C([O-])CCCCC1=O	ZINC000725257737	538067035	/nfs/dbraw/zinc/06/70/35/538067035.db2.gz	WSKDPLGGZNEFRV-ZETCQYMHSA-N	-1	1	212.245	0.919	10	0		BCAEMM
Cc1nccc(N[C@H](C)c2nn[n-]n2)n1	ZINC000054936391	180206024	/nfs/dbraw/zinc/20/60/24/180206024.db2.gz	WNGLAZWIPMBYEA-RXMQYKEDSA-N	-1	1	205.225	0.471	10	0		BCAEMM
Cc1nn(C)c(Sc2nccc(=O)[n-]2)c1N	ZINC000036749654	180362254	/nfs/dbraw/zinc/36/22/54/180362254.db2.gz	DOSXBFMLNIZYQV-UHFFFAOYSA-N	-1	1	237.288	0.545	10	0		BCAEMM
O=C([O-])N1CCCCC[C@@H]1c1nn[nH]n1	ZINC000616623222	351088690	/nfs/dbraw/zinc/08/86/90/351088690.db2.gz	WRVJRFTYGJPXBL-ZCFIWIBFSA-N	-1	1	211.225	0.795	10	0		BCAEMM
CS(=O)(=O)N1CCCCC[C@@H]1c1nn[n-]n1	ZINC000616624847	351093177	/nfs/dbraw/zinc/09/31/77/351093177.db2.gz	KMUAQCXDUYKNIS-SSDOTTSWSA-N	-1	1	245.308	0.076	10	0		BCAEMM
COC(=O)N1CCCC[C@H](c2nn[n-]n2)C1	ZINC000616629327	351100059	/nfs/dbraw/zinc/10/00/59/351100059.db2.gz	RXRTYIPDBDLSHG-ZETCQYMHSA-N	-1	1	225.252	0.536	10	0		BCAEMM
O=C([O-])N1CCCO[C@@H](c2cnc[nH]2)C1	ZINC000616653547	351193996	/nfs/dbraw/zinc/19/39/96/351193996.db2.gz	XKPFJITYBQDHMK-MRVPVSSYSA-N	-1	1	211.221	0.851	10	0		BCAEMM
NC(=O)c1nc(C(F)(F)F)ccc1[O-]	ZINC000306857186	351183675	/nfs/dbraw/zinc/18/36/75/351183675.db2.gz	ZKQCJQRSXIGDBJ-UHFFFAOYSA-N	-1	1	206.123	0.905	10	0		BCAEMM
CCOC(=O)N1CCCC[C@@H](c2nn[n-]n2)C1	ZINC000616652846	351187145	/nfs/dbraw/zinc/18/71/45/351187145.db2.gz	HJYHEONOQSCPDP-MRVPVSSYSA-N	-1	1	239.279	0.926	10	0		BCAEMM
OCCN1c2ccccc2CC[C@@H]1c1nn[n-]n1	ZINC000616669905	351229366	/nfs/dbraw/zinc/22/93/66/351229366.db2.gz	SQCLWRKAKNMILQ-LLVKDONJSA-N	-1	1	245.286	0.686	10	0		BCAEMM
O=C([O-])N1CCc2ccccc2[C@H]1c1nn[nH]n1	ZINC000616679036	351249401	/nfs/dbraw/zinc/24/94/01/351249401.db2.gz	IUKRIQPTLBKCOW-VIFPVBQESA-N	-1	1	245.242	0.825	10	0		BCAEMM
OCCN1C[C@H](c2nn[n-]n2)Nc2ccccc21	ZINC000616682528	351252842	/nfs/dbraw/zinc/25/28/42/351252842.db2.gz	COLANWFIMVEVQJ-SECBINFHSA-N	-1	1	246.274	0.165	10	0		BCAEMM
NC(=O)N1c2ccccc2NC[C@H]1c1nn[n-]n1	ZINC000616684673	351255895	/nfs/dbraw/zinc/25/58/95/351255895.db2.gz	WXFJOHQSFFRHHM-QMMMGPOBSA-N	-1	1	245.246	0.252	10	0		BCAEMM
CC(=O)N1C[C@@H](c2nn[n-]n2)Cc2ccccc21	ZINC000616691106	351259105	/nfs/dbraw/zinc/25/91/05/351259105.db2.gz	SCGYSAJNEOGTOE-JTQLQIEISA-N	-1	1	243.270	0.893	10	0		BCAEMM
O=C([O-])N1CCOCC[C@H]1c1c[nH]nn1	ZINC000616656121	351201835	/nfs/dbraw/zinc/20/18/35/351201835.db2.gz	AWKKJZXGVHBZIF-ZETCQYMHSA-N	-1	1	212.209	0.246	10	0		BCAEMM
O=C([O-])N1CCOCC[C@H]1c1nnc[nH]1	ZINC000616659459	351207431	/nfs/dbraw/zinc/20/74/31/351207431.db2.gz	SMFLPSTYPZUTDD-LURJTMIESA-N	-1	1	212.209	0.246	10	0		BCAEMM
CCOC(=O)N1CCOCC[C@@H]1c1nn[n-]n1	ZINC000616660196	351208970	/nfs/dbraw/zinc/20/89/70/351208970.db2.gz	TXEZHCIRMZXTJR-SSDOTTSWSA-N	-1	1	241.251	0.120	10	0		BCAEMM
O=C([N-][C@@H]1CCNC(=O)CC1)C(F)(F)F	ZINC000307110450	351480968	/nfs/dbraw/zinc/48/09/68/351480968.db2.gz	NQBGJAYOYHXQQV-YFKPBYRVSA-N	-1	1	224.182	0.334	10	0		BCAEMM
O=C([N-][C@H]1CCNC(=O)CC1)C(F)(F)F	ZINC000307110445	351481402	/nfs/dbraw/zinc/48/14/02/351481402.db2.gz	NQBGJAYOYHXQQV-RXMQYKEDSA-N	-1	1	224.182	0.334	10	0		BCAEMM
O=[S@@](Cc1nn[n-]n1)c1ccc(F)cc1	ZINC000307713977	353107471	/nfs/dbraw/zinc/10/74/71/353107471.db2.gz	CXECECIOJAWSPE-HNNXBMFYSA-N	-1	1	226.236	0.647	10	0		BCAEMM
CC(C)S(=O)(=O)[N-]c1ncccc1O	ZINC000129455705	353131950	/nfs/dbraw/zinc/13/19/50/353131950.db2.gz	WYEFZDAWDVRGOL-UHFFFAOYSA-N	-1	1	216.262	0.937	10	0		BCAEMM
CC(=O)CNC(=O)c1c([O-])cccc1F	ZINC000232568983	353134630	/nfs/dbraw/zinc/13/46/30/353134630.db2.gz	YSUZOHNBRVNSFM-UHFFFAOYSA-N	-1	1	211.192	0.850	10	0		BCAEMM
CCc1nnc([C@@H]2CC[C@H](C(=O)[O-])O2)[nH]1	ZINC000223142035	353140845	/nfs/dbraw/zinc/14/08/45/353140845.db2.gz	LPRQDWWHNFNZEC-NTSWFWBYSA-N	-1	1	211.221	0.672	10	0		BCAEMM
CC1(c2ccccc2)C(=O)[N-]C(=O)NC1=O	ZINC000004217285	188102151	/nfs/dbraw/zinc/10/21/51/188102151.db2.gz	LSAOZCAKUIANSQ-UHFFFAOYSA-N	-1	1	218.212	0.310	10	0	in-vivo	BCAEMM
O=C([O-])c1nnc2c(Br)nc[n-]c1-2	ZINC000089212002	188144584	/nfs/dbraw/zinc/14/45/84/188144584.db2.gz	AGOITZBXRDAGKR-UHFFFAOYSA-N	-1	1	243.020	0.814	10	0		BCAEMM
CSCCc1nc(N)nc(=S)[n-]1	ZINC000137344821	355804471	/nfs/dbraw/zinc/80/44/71/355804471.db2.gz	GFRWRGYYNOPSDM-UHFFFAOYSA-N	-1	1	202.308	0.648	10	0		BCAEMM
NC(=O)Cc1cccc2nc(C(=O)[O-])[nH]c21	ZINC000089195122	181247288	/nfs/dbraw/zinc/24/72/88/181247288.db2.gz	LAENYZFFHZHKLB-UHFFFAOYSA-N	-1	1	219.200	0.289	10	0		BCAEMM
C[C@H](O)[C@H](N)c1nc2cc(C(=O)[O-])ccc2[nH]1	ZINC000675056377	538478160	/nfs/dbraw/zinc/47/81/60/538478160.db2.gz	OVLAYJRNVGZGHF-CDUCUWFYSA-N	-1	1	235.243	0.642	10	0		BCAEMM
CCOC(=O)c1cnc([C@H](C)OC)[n-]c1=O	ZINC000086590563	538558383	/nfs/dbraw/zinc/55/83/83/538558383.db2.gz	QQOMAEHKAXCABO-LURJTMIESA-N	-1	1	226.232	0.654	10	0		BCAEMM
CCOC(=O)c1noc(-c2cn[n-]n2)n1	ZINC000087601930	538567990	/nfs/dbraw/zinc/56/79/90/538567990.db2.gz	PZAJDDOBBPXXGJ-UHFFFAOYSA-N	-1	1	209.165	0.031	10	0		BCAEMM
COC(=O)Cn1c(C(F)(F)F)n[n-]c1=S	ZINC000685950146	538893630	/nfs/dbraw/zinc/89/36/30/538893630.db2.gz	PAORKXSYUNUZOE-UHFFFAOYSA-N	-1	1	241.194	0.759	10	0		BCAEMM
CC(C)[C@@H](NCC(=O)C(F)(F)F)C(=O)[O-]	ZINC000584651361	358306318	/nfs/dbraw/zinc/30/63/18/358306318.db2.gz	FYCZPMCHVCATEL-ZCFIWIBFSA-N	-1	1	227.182	0.817	10	0		BCAEMM
Nn1c(=S)[n-]nc1[C@H]1CCSC1	ZINC000069985365	361320284	/nfs/dbraw/zinc/32/02/84/361320284.db2.gz	YUJQANDBMIIPBU-BYPYZUCNSA-N	-1	1	202.308	0.875	10	0		BCAEMM
NCC(=O)Nc1ccc(Cl)cc1C(=O)[O-]	ZINC000040469512	181354931	/nfs/dbraw/zinc/35/49/31/181354931.db2.gz	SOHLEIBBXFHYGU-UHFFFAOYSA-N	-1	1	228.635	0.935	10	0		BCAEMM
Nc1cc(=O)[n-]c(S[C@@H]2CCC[C@@H]2O)n1	ZINC000037490266	181676644	/nfs/dbraw/zinc/67/66/44/181676644.db2.gz	VCCFBJCCXFIQGP-NTSWFWBYSA-N	-1	1	227.289	0.358	10	0		BCAEMM
C[N@H+]1CCC[C@]2(C1)N[C@@H](C(=O)[O-])CS2	ZINC000227315692	371831031	/nfs/dbraw/zinc/83/10/31/371831031.db2.gz	QWBHNJWJAPJEOV-APPZFPTMSA-N	-1	1	216.306	0.198	10	0		BCAEMM
Nn1c(=O)c(-c2ccc(O)cc2)n[n-]c1=S	ZINC000103532901	181822384	/nfs/dbraw/zinc/82/23/84/181822384.db2.gz	OZRYKYURXAZKBF-UHFFFAOYSA-N	-1	1	236.256	0.013	10	0		BCAEMM
C[C@]1([C@H]2CCOC2)N[C@H](C(=O)[O-])CS1	ZINC000229650673	372177643	/nfs/dbraw/zinc/17/76/43/372177643.db2.gz	OTZFPHJYQDWMFR-ZKWXMUAHSA-N	-1	1	217.290	0.529	10	0		BCAEMM
C[C@]1([C@@H]2CCOC2)N[C@H](C(=O)[O-])CS1	ZINC000229650022	372178133	/nfs/dbraw/zinc/17/81/33/372178133.db2.gz	OTZFPHJYQDWMFR-FJXKBIBVSA-N	-1	1	217.290	0.529	10	0		BCAEMM
CN1CCC[C@@]2(C1)N[C@H](C(=O)[O-])CS2	ZINC000134329554	372195631	/nfs/dbraw/zinc/19/56/31/372195631.db2.gz	QWBHNJWJAPJEOV-IONNQARKSA-N	-1	1	216.306	0.198	10	0		BCAEMM
Nc1ccc([C@H]2CNCCN2C(=O)[O-])cn1	ZINC000142379785	373225840	/nfs/dbraw/zinc/22/58/40/373225840.db2.gz	NQWBBOOYWHDODK-MRVPVSSYSA-N	-1	1	222.248	0.288	10	0		BCAEMM
CCCCNC(=O)CN[C@H](CCC)C(=O)[O-]	ZINC000049281016	168845643	/nfs/dbraw/zinc/84/56/43/168845643.db2.gz	ROWZGKYINALRNM-SECBINFHSA-N	-1	1	230.308	0.746	10	0		BCAEMM
Nc1n[n-]c(=S)n1C[C@H]1CCCOC1	ZINC000070882995	374224372	/nfs/dbraw/zinc/22/43/72/374224372.db2.gz	NXLDGCILEKLZFK-ZCFIWIBFSA-N	-1	1	214.294	0.949	10	0		BCAEMM
O=C(Nc1c[n-][nH]c1=O)OCc1ccccc1	ZINC000100135566	182288845	/nfs/dbraw/zinc/28/88/45/182288845.db2.gz	CKKIFYNOFYXCHA-SECBINFHSA-N	-1	1	233.227	0.397	10	0		BCAEMM
O=C(N[C@H]1CCC[C@H](O)C1)c1cncc([O-])c1	ZINC000104424051	182332887	/nfs/dbraw/zinc/33/28/87/182332887.db2.gz	MEZZNGKLWLDVJW-UWVGGRQHSA-N	-1	1	236.271	0.821	10	0		BCAEMM
O=C([O-])[C@@H](Cc1cnc[nH]1)NC(=O)c1ccoc1	ZINC000022143831	182325355	/nfs/dbraw/zinc/32/53/55/182325355.db2.gz	AKZCTJUKMFDJTG-SECBINFHSA-N	-1	1	249.226	0.428	10	0		BCAEMM
O=C(Nc1ccccc1O)c1nn[n-]n1	ZINC000100933358	182380140	/nfs/dbraw/zinc/38/01/40/182380140.db2.gz	NWFDSPIVNGDDGQ-UHFFFAOYSA-N	-1	1	205.177	0.158	10	0		BCAEMM
COc1ncc(N)cc1[N-]S(C)(=O)=O	ZINC000113155117	383969204	/nfs/dbraw/zinc/96/92/04/383969204.db2.gz	NABOOOVTAGFZKU-UHFFFAOYSA-N	-1	1	217.250	0.044	10	0		BCAEMM
C[C@@H]1OCC[C@@H]1NC(=O)c1cncc([O-])c1	ZINC000134566369	384366290	/nfs/dbraw/zinc/36/62/90/384366290.db2.gz	JHQNDTSJHZTYQL-XVKPBYJWSA-N	-1	1	222.244	0.694	10	0		BCAEMM
CN(C)S(=O)(=O)[N-]c1cncc(Cl)n1	ZINC000162249177	384592575	/nfs/dbraw/zinc/59/25/75/384592575.db2.gz	SCBDNKCUINLSPU-UHFFFAOYSA-N	-1	1	236.684	0.348	10	0		BCAEMM
O=S(=O)([O-])OCCNCc1ccccc1	ZINC000082048783	384643700	/nfs/dbraw/zinc/64/37/00/384643700.db2.gz	COMXZAIDKIXIKT-UHFFFAOYSA-N	-1	1	231.273	0.596	10	0		BCAEMM
Cn1ccc(-c2[nH][nH]c(=O)c2C(=O)[O-])c1	ZINC000082532742	384690792	/nfs/dbraw/zinc/69/07/92/384690792.db2.gz	WFAYIKBLDSZWKW-UHFFFAOYSA-N	-1	1	207.189	0.407	10	0		BCAEMM
O=C([O-])CSc1nc(-c2cnccn2)n[nH]1	ZINC000020159528	384995371	/nfs/dbraw/zinc/99/53/71/384995371.db2.gz	JCYKGQQVCCQIDR-UHFFFAOYSA-N	-1	1	237.244	0.438	10	0		BCAEMM
Cc1nnsc1CN1CC[C@H](C(=O)[O-])C1	ZINC000257671423	385484388	/nfs/dbraw/zinc/48/43/88/385484388.db2.gz	MIDSQLRVBXCEAJ-ZETCQYMHSA-N	-1	1	227.289	0.753	10	0		BCAEMM
CCCn1nnc2c1nc([C@H](C)O)[n-]c2=O	ZINC000253560789	385681112	/nfs/dbraw/zinc/68/11/12/385681112.db2.gz	BGIKWIHMCVSHMY-YFKPBYRVSA-N	-1	1	223.236	0.390	10	0		BCAEMM
CC(=O)[C@H]1CCCN(Cc2nn[n-]n2)C1	ZINC000307235803	386448839	/nfs/dbraw/zinc/44/88/39/386448839.db2.gz	FUANZXYEEKUIME-QMMMGPOBSA-N	-1	1	209.253	0.001	10	0		BCAEMM
O=C([N-]C(=O)C(F)(F)F)Nc1nncs1	ZINC000001470930	386411363	/nfs/dbraw/zinc/41/13/63/386411363.db2.gz	ZGQPIJHCHPMHLX-UHFFFAOYSA-N	-1	1	240.166	0.749	10	0		BCAEMM
O=C1[N-]NC(=C2CCCS2(=O)=O)O1	ZINC000575469021	387085195	/nfs/dbraw/zinc/08/51/95/387085195.db2.gz	PEWQLRGKGGJGFS-BYPYZUCNSA-N	-1	1	204.207	0.025	10	0		BCAEMM
COC(=O)Cc1cc([N+](=O)[O-])cc(N)c1[O-]	ZINC000575638731	387832974	/nfs/dbraw/zinc/83/29/74/387832974.db2.gz	GEZPKCHRLAAKCF-UHFFFAOYSA-N	-1	1	226.188	0.598	10	0		BCAEMM
COC(=O)c1cc(N)cc([N+](=O)[O-])c1[O-]	ZINC000575639543	387837264	/nfs/dbraw/zinc/83/72/64/387837264.db2.gz	JFWLYEXUOOBNOV-UHFFFAOYSA-N	-1	1	212.161	0.669	10	0		BCAEMM
CCOc1cc(C#N)c([O-])cc1C(N)=O	ZINC000575644003	387870488	/nfs/dbraw/zinc/87/04/88/387870488.db2.gz	KEGYOFGZXXAPJG-UHFFFAOYSA-N	-1	1	206.201	0.761	10	0		BCAEMM
C[C@H]1[C@H](O)CCCN1C(=O)c1cncc([O-])c1	ZINC000296120156	388417802	/nfs/dbraw/zinc/41/78/02/388417802.db2.gz	QOTXRCWNOUPZGR-GZMMTYOYSA-N	-1	1	236.271	0.773	10	0		BCAEMM
C[N-]S(=O)(=O)c1ccc(Cl)nc1F	ZINC000575453931	388753765	/nfs/dbraw/zinc/75/37/65/388753765.db2.gz	OZVOLWCOIUZUTE-UHFFFAOYSA-N	-1	1	224.644	0.782	10	0		BCAEMM
O=C(NCC1CC(O)C1)c1ncccc1[O-]	ZINC000084447274	322835419	/nfs/dbraw/zinc/83/54/19/322835419.db2.gz	CEAXWBYXWJAOAC-UHFFFAOYSA-N	-1	1	222.244	0.288	10	0		BCAEMM
Cc1c(O)n(-c2ccccc2)c(=O)[nH]c1=O	ZINC000003630912	132315522	/nfs/dbraw/zinc/31/55/22/132315522.db2.gz	NYIHIUHCYVISJZ-ZETCQYMHSA-N	-1	1	218.212	0.906	10	0		BCAEMM
Cc1c([O-])n(-c2ccccc2)c(=O)[nH]c1=O	ZINC000003630912	132315523	/nfs/dbraw/zinc/31/55/23/132315523.db2.gz	NYIHIUHCYVISJZ-ZETCQYMHSA-N	-1	1	218.212	0.906	10	0		BCAEMM
Cc1ncc([N-]S(=O)(=O)N(C)C)s1	ZINC000306749181	135377848	/nfs/dbraw/zinc/37/78/48/135377848.db2.gz	HMRCLAXXPXQJBW-UHFFFAOYSA-N	-1	1	221.307	0.670	10	0		BCAEMM
NC(=O)c1ccnc(OC(F)(F)F)c1[O-]	ZINC000238631407	397938402	/nfs/dbraw/zinc/93/84/02/397938402.db2.gz	AXNQRUKQXBJERI-UHFFFAOYSA-N	-1	1	222.122	0.785	10	0		BCAEMM
C[C@H](CC(=O)[O-])N1CCN(CC(F)F)CC1	ZINC000575441625	411298082	/nfs/dbraw/zinc/29/80/82/411298082.db2.gz	MNBNBAORVSBKPU-MRVPVSSYSA-N	-1	1	236.262	0.732	10	0		BCAEMM
CCN(CC)Cc1nn(C)cc1C(=O)[O-]	ZINC000575441613	411298113	/nfs/dbraw/zinc/29/81/13/411298113.db2.gz	ZPNYPGDSKCPTPA-UHFFFAOYSA-N	-1	1	211.265	0.960	10	0		BCAEMM
CC1CCC(N(C)C(=O)CNCC(=O)[O-])CC1	ZINC000035385279	168158582	/nfs/dbraw/zinc/15/85/82/168158582.db2.gz	ZTFKAIHAWKWRPZ-UHFFFAOYSA-N	-1	1	242.319	0.698	10	0		BCAEMM
CCOC(=O)c1nc2n[nH]cc2c(=O)[n-]1	ZINC000089222896	170306871	/nfs/dbraw/zinc/30/68/71/170306871.db2.gz	NMCRWHPAWXPCTN-UHFFFAOYSA-N	-1	1	208.177	0.235	10	0		BCAEMM
CCc1[n-]n(-c2ccc(N)nc2)c(=O)c1F	ZINC000584880408	411897024	/nfs/dbraw/zinc/89/70/24/411897024.db2.gz	YZTSVHKWEBUPLB-SECBINFHSA-N	-1	1	222.223	1.115	10	0		BCAEMM
CN(C)[C@H]1C(C(=O)[O-])=NC=C[C@H]1OC1CC1	ZINC000095720072	172535815	/nfs/dbraw/zinc/53/58/15/172535815.db2.gz	JEXFNLKOYDWESY-PSASIEDQSA-N	-1	1	224.260	0.517	10	0		BCAEMM
COc1ccc(-c2cc(=O)[n-]c(NN)n2)cc1	ZINC000072417248	175030002	/nfs/dbraw/zinc/03/00/02/175030002.db2.gz	DWFBAYWEKDIVOC-UHFFFAOYSA-N	-1	1	232.243	0.731	10	0		BCAEMM
C[C@@H]1CCC(C)(C)C12C(=O)[N-]C(=O)NC2=O	ZINC000006030761	176061463	/nfs/dbraw/zinc/06/14/63/176061463.db2.gz	RJSOSRALKPYMAO-ZCFIWIBFSA-N	-1	1	224.260	0.795	10	0		BCAEMM
C[C@@H]1CC[C@@H](C)C12C(=O)[N-]C(=O)NC2=O	ZINC000006031074	176196332	/nfs/dbraw/zinc/19/63/32/176196332.db2.gz	AYSCKFJUEHEIFG-PHDIDXHHSA-N	-1	1	210.233	0.405	10	0		BCAEMM
C[C@@H](NCC(=O)N1CCCC[C@@H]1C)C(=O)[O-]	ZINC000035388393	177072051	/nfs/dbraw/zinc/07/20/51/177072051.db2.gz	JWOQEDCUKDXPFJ-DTWKUNHWSA-N	-1	1	228.292	0.450	10	0		BCAEMM
CC1(C)CN[C@@H](C(=O)[O-])O[C@@]12CCCOC2	ZINC000757139242	582519603	/nfs/dbraw/zinc/51/96/03/582519603.db2.gz	GHIKBCBNYRCZJH-LDYMZIIASA-N	-1	1	229.276	0.592	10	0		BCAEMM
CC1(C)CN[C@@H](C(=O)[O-])O[C@@]12CCOC2	ZINC000757139805	582520387	/nfs/dbraw/zinc/52/03/87/582520387.db2.gz	HMEJYVXSHXWOCN-GMSGAONNSA-N	-1	1	215.249	0.202	10	0		BCAEMM
N[C@@]1(c2noc(CCC(=O)[O-])n2)CCSC1	ZINC000757182450	586433729	/nfs/dbraw/zinc/43/37/29/586433729.db2.gz	IXXHZNKITLUPFK-VIFPVBQESA-N	-1	1	243.288	0.378	10	0		BCAEMM
O=C(c1ccoc1)N1CCC[C@H]1c1nn[n-]n1	ZINC000095185176	635434780	/nfs/dbraw/zinc/43/47/80/635434780.db2.gz	MMXXLOLRNVALNU-QMMMGPOBSA-N	-1	1	233.231	0.770	10	0		BCAEMM
CC(C)C(=O)N1CCC[C@@H]1c1nn[n-]n1	ZINC000095197574	641597664	/nfs/dbraw/zinc/59/76/64/641597664.db2.gz	MGXPLTSJISSRNK-SSDOTTSWSA-N	-1	1	209.253	0.519	10	0		BCAEMM
O=C(c1ccco1)N1CCC[C@@H]1c1nn[n-]n1	ZINC000095164041	641598556	/nfs/dbraw/zinc/59/85/56/641598556.db2.gz	PVQPIRCATJORJV-SSDOTTSWSA-N	-1	1	233.231	0.770	10	0		BCAEMM
CSCCC(=O)N1CCC[C@H]1c1nn[n-]n1	ZINC000095307460	641598877	/nfs/dbraw/zinc/59/88/77/641598877.db2.gz	UFUNTABTHZKGDW-ZETCQYMHSA-N	-1	1	241.320	0.616	10	0		BCAEMM
C[C@@]1(C(=O)[O-])CCCN1C(=O)c1ccn[nH]1	ZINC000070617746	643052219	/nfs/dbraw/zinc/05/22/19/643052219.db2.gz	UQLVEWCCNYUKTH-JTQLQIEISA-N	-1	1	223.232	0.489	10	0		BCAEMM
C[C@]1(C(=O)[O-])CCCN1C(=O)c1ccn[nH]1	ZINC000070617745	643052550	/nfs/dbraw/zinc/05/25/50/643052550.db2.gz	UQLVEWCCNYUKTH-SNVBAGLBSA-N	-1	1	223.232	0.489	10	0		BCAEMM
Cc1cnc([N-]S(=O)(=O)N(C)C)cn1	ZINC000244149817	644505762	/nfs/dbraw/zinc/50/57/62/644505762.db2.gz	UUFLAIDGBOOEOT-UHFFFAOYSA-N	-1	1	216.266	0.003	10	0		BCAEMM
C[C@@H](C(=O)[O-])N(C)Cc1cc(Cl)n(C)n1	ZINC000706144047	712140289	/nfs/dbraw/zinc/14/02/89/712140289.db2.gz	TUKNMVFGGPRXKK-LURJTMIESA-N	-1	1	231.683	0.978	10	0		BCAEMM
O=C(COC1CC1)N1CCC[C@H]1c1nn[n-]n1	ZINC000716894243	712580726	/nfs/dbraw/zinc/58/07/26/712580726.db2.gz	MRYVIOMSLJZJIZ-QMMMGPOBSA-N	-1	1	237.263	0.042	10	0		BCAEMM
C/C=C/C(=O)N1CCC[C@@H]1c1nn[n-]n1	ZINC000720639696	712859946	/nfs/dbraw/zinc/85/99/46/712859946.db2.gz	WFPIVPWEGYCOOU-NUOXCJHRSA-N	-1	1	207.237	0.439	10	0		BCAEMM
Cn1cccc1C(=O)N1CCC[C@@H]1c1nn[n-]n1	ZINC000720655332	712860859	/nfs/dbraw/zinc/86/08/59/712860859.db2.gz	PKAKEUSNFMGJLS-MRVPVSSYSA-N	-1	1	246.274	0.516	10	0		BCAEMM
O=C([C@H]1CC12CC2)N1CCC[C@@H]1c1nn[n-]n1	ZINC000720654075	712861012	/nfs/dbraw/zinc/86/10/12/712861012.db2.gz	RYSFLKAUTIIQED-HTQZYQBOSA-N	-1	1	233.275	0.663	10	0		BCAEMM
C[C@@H](C(=O)N1CCC[C@H]1c1nn[n-]n1)C1CC1	ZINC000720653244	712861116	/nfs/dbraw/zinc/86/11/16/712861116.db2.gz	DOOSNVJNMQKSTC-APPZFPTMSA-N	-1	1	235.291	0.909	10	0		BCAEMM
CC(C)OCC(=O)N1CCC[C@@H]1c1nn[n-]n1	ZINC000720654490	712861230	/nfs/dbraw/zinc/86/12/30/712861230.db2.gz	ZFPUUJXDGMEDOC-MRVPVSSYSA-N	-1	1	239.279	0.288	10	0		BCAEMM
CC[C@H]1CC[C@@H](c2n[n-]nc2C(=O)[O-])[NH2+]1	ZINC000685953539	538898190	/nfs/dbraw/zinc/89/81/90/538898190.db2.gz	LLICZQZSZPXPCB-WDSKDSINSA-N	-1	1	210.237	0.706	10	0		BCAEMM
CCc1cc(-c2n[n-]nc2C(=O)OC)no1	ZINC000685953576	538898251	/nfs/dbraw/zinc/89/82/51/538898251.db2.gz	MEAFKHIEQUDEFH-UHFFFAOYSA-N	-1	1	222.204	0.809	10	0		BCAEMM
CSc1ncc2c(n1)[nH]nc2C(=O)[O-]	ZINC000075618968	398224241	/nfs/dbraw/zinc/22/42/41/398224241.db2.gz	OIBJPYRDYGQIQE-UHFFFAOYSA-N	-1	1	210.218	0.773	10	0		BCAEMM
Cc1cc(O)c2oc(=O)c(-c3nn[n-]n3)cc2c1	ZINC000033873172	178198414	/nfs/dbraw/zinc/19/84/14/178198414.db2.gz	LXYIUUCFAWRDDD-UHFFFAOYSA-N	-1	1	244.210	0.987	10	0		BCAEMM
Cc1cc2[nH]c(=S)n(CC(=O)[O-])c(=O)c2[nH]1	ZINC000100491637	178303541	/nfs/dbraw/zinc/30/35/41/178303541.db2.gz	YZKXJMKVKOGTDV-UHFFFAOYSA-N	-1	1	239.256	0.406	10	0		BCAEMM
Cc1cc(=O)[n-]c(SC[C@H]2CCC(=O)O2)n1	ZINC000008548779	342800334	/nfs/dbraw/zinc/80/03/34/342800334.db2.gz	PFNFJOLSPGIWEM-SSDOTTSWSA-N	-1	1	240.284	0.876	10	0		BCAEMM
CCC[C@@H](NCC(=O)N(CC)CC)C(=O)[O-]	ZINC000036839057	398294678	/nfs/dbraw/zinc/29/46/78/398294678.db2.gz	OQXWJKIDPDSOLP-SECBINFHSA-N	-1	1	230.308	0.698	10	0		BCAEMM
CCOC(=O)Cc1c[n-]c(C(=O)OCC)n1	ZINC000060144988	342910407	/nfs/dbraw/zinc/91/04/07/342910407.db2.gz	BSWGKSXLDWTZMA-UHFFFAOYSA-N	-1	1	226.232	0.692	10	0		BCAEMM
O=C([O-])CCN1CCN(CC(F)F)CC1	ZINC000037756332	342951885	/nfs/dbraw/zinc/95/18/85/342951885.db2.gz	MZHLPNPFMCACAY-UHFFFAOYSA-N	-1	1	222.235	0.344	10	0		BCAEMM
CNC(=O)[C@H](C)n1c(C)n[n-]c1=S	ZINC000042572192	362008932	/nfs/dbraw/zinc/00/89/32/362008932.db2.gz	WBHMNNBFXYOHMP-BYPYZUCNSA-N	-1	1	200.267	0.556	10	0		BCAEMM
CNC(=O)[C@@H](C)n1c(C)n[n-]c1=S	ZINC000042572195	362009510	/nfs/dbraw/zinc/00/95/10/362009510.db2.gz	WBHMNNBFXYOHMP-SCSAIBSYSA-N	-1	1	200.267	0.556	10	0		BCAEMM
Cn1cc(CSc2nc(N)cc(=O)[n-]2)cn1	ZINC000034937177	343281551	/nfs/dbraw/zinc/28/15/51/343281551.db2.gz	YIYAJTBRZXBHEV-UHFFFAOYSA-N	-1	1	237.288	0.378	10	0		BCAEMM
O=C([O-])c1ccc(NC(=O)N2CCNCC2)cc1	ZINC000039073089	343381444	/nfs/dbraw/zinc/38/14/44/343381444.db2.gz	GMAHHHZCSNRWLK-UHFFFAOYSA-N	-1	1	249.270	0.822	10	0		BCAEMM
CCCc1c(N)n2[n-]c(C)nc2nc1=O	ZINC000712019444	537783217	/nfs/dbraw/zinc/78/32/17/537783217.db2.gz	DMGXLBGRVVWAAS-UHFFFAOYSA-N	-1	1	207.237	0.261	10	0		BCAEMM
O=C([O-])C[C@]1(N2CCOCC2)CCSC1	ZINC000070821355	343956362	/nfs/dbraw/zinc/95/63/62/343956362.db2.gz	GGEPJYIADFZQBA-SNVBAGLBSA-N	-1	1	231.317	0.669	10	0		BCAEMM
CNS(=O)(=O)[N-]c1cc(Cl)ncn1	ZINC000234391494	343963520	/nfs/dbraw/zinc/96/35/20/343963520.db2.gz	CFBZYTHPARQFPP-UHFFFAOYSA-N	-1	1	222.657	0.006	10	0		BCAEMM
CN1CC[C@@H](Nc2nc(C(=O)[O-])co2)C1	ZINC000165872280	344170254	/nfs/dbraw/zinc/17/02/54/344170254.db2.gz	SAQPOPCRJHKJHR-ZCFIWIBFSA-N	-1	1	211.221	0.489	10	0		BCAEMM
O=C([N-]CCCOCCO)C(F)(F)F	ZINC000227551726	344503166	/nfs/dbraw/zinc/50/31/66/344503166.db2.gz	LMGZSCKYBGAGGS-UHFFFAOYSA-N	-1	1	215.171	0.064	10	0		BCAEMM
C[C@@H](Nc1ncc(N)s1)c1nn[n-]n1	ZINC000226738239	344597831	/nfs/dbraw/zinc/59/78/31/344597831.db2.gz	AZMXDGJYTSEARP-GSVOUGTGSA-N	-1	1	211.254	0.412	10	0		BCAEMM
N#Cc1ccc(C=O)c(O)c1CC(=O)[O-]	ZINC000396150591	344623905	/nfs/dbraw/zinc/62/39/05/344623905.db2.gz	QCEIXFCMKNPNLF-UHFFFAOYSA-N	-1	1	205.169	0.703	10	0		BCAEMM
COC(=O)Cc1ccc([O-])c(C=O)c1C#N	ZINC000396154304	344626192	/nfs/dbraw/zinc/62/61/92/344626192.db2.gz	DEKFWPAXPFKCAZ-UHFFFAOYSA-N	-1	1	219.196	0.792	10	0		BCAEMM
COC(=O)Cc1ccc(C=O)c(C#N)c1[O-]	ZINC000396154402	344626575	/nfs/dbraw/zinc/62/65/75/344626575.db2.gz	DSBXNIPQUPDGNS-UHFFFAOYSA-N	-1	1	219.196	0.792	10	0		BCAEMM
COC(=O)c1cnc(CC2CC2)[n-]c1=O	ZINC000300907338	537868596	/nfs/dbraw/zinc/86/85/96/537868596.db2.gz	OHLFYHZQMLALGR-UHFFFAOYSA-N	-1	1	208.217	0.921	10	0		BCAEMM
C[C@@](N)(C(=O)[O-])c1ccc(Cl)cn1	ZINC000238414560	345044031	/nfs/dbraw/zinc/04/40/31/345044031.db2.gz	MIWKBBZNMUZXGX-QMMMGPOBSA-N	-1	1	200.625	0.994	10	0		BCAEMM
CS(=O)(=O)n1cc([O-])c2ccccc21	ZINC000142933272	345864499	/nfs/dbraw/zinc/86/44/99/345864499.db2.gz	GAUKSXBUOHYULJ-UHFFFAOYSA-N	-1	1	211.242	0.649	10	0		BCAEMM
NCC(=O)Nc1ccccc1CCC(=O)[O-]	ZINC000145406578	345936088	/nfs/dbraw/zinc/93/60/88/345936088.db2.gz	HLJMULBTDFSLAF-UHFFFAOYSA-N	-1	1	222.244	0.601	10	0		BCAEMM
CC(C)N1CCc2c(C(=O)[O-])nn(C)c2C1	ZINC000215472695	537969414	/nfs/dbraw/zinc/96/94/14/537969414.db2.gz	ICEFWIIKMMXXIG-UHFFFAOYSA-N	-1	1	223.276	0.885	10	0		BCAEMM
CCNS(=O)(=O)c1cccc([O-])c1F	ZINC000616568329	347446949	/nfs/dbraw/zinc/44/69/49/347446949.db2.gz	INFMRYQYBDWTDV-UHFFFAOYSA-N	-1	1	219.237	0.830	10	0		BCAEMM
CCNC(=O)Cn1c(C)n[n-]c1=S	ZINC000036779877	347576406	/nfs/dbraw/zinc/57/64/06/347576406.db2.gz	DJQHQSLKXLALND-UHFFFAOYSA-N	-1	1	200.267	0.385	10	0		BCAEMM
COC(=O)CC[C@H](N)c1ocnc1C(=O)[O-]	ZINC000616569164	347591435	/nfs/dbraw/zinc/59/14/35/347591435.db2.gz	RBFZBSPRZXIUGH-YFKPBYRVSA-N	-1	1	228.204	0.326	10	0		BCAEMM
CC(C)C(=O)Nc1nc2nncc-2c(O)[n-]1	ZINC000150073738	347600471	/nfs/dbraw/zinc/60/04/71/347600471.db2.gz	VPRKPOKUQCTKCG-UHFFFAOYSA-N	-1	1	221.220	0.653	10	0		BCAEMM
CNS(=O)(=O)c1cccc([O-])c1F	ZINC000616569849	347850192	/nfs/dbraw/zinc/85/01/92/347850192.db2.gz	YMDUJDRYLUFSRS-UHFFFAOYSA-N	-1	1	205.210	0.439	10	0		BCAEMM
O=S(=O)([N-][C@@H]1CCCC[C@H]1O)C(F)F	ZINC000052005320	350882456	/nfs/dbraw/zinc/88/24/56/350882456.db2.gz	CVQXJRSRQKGBNC-PHDIDXHHSA-N	-1	1	229.248	0.432	10	0		BCAEMM
O=C([O-])N1CCNC[C@H]1c1ccc(CO)cc1	ZINC000616635152	351118607	/nfs/dbraw/zinc/11/86/07/351118607.db2.gz	CBHNWPRJIPCKFE-NSHDSACASA-N	-1	1	236.271	0.803	10	0		BCAEMM
NC(=O)c1ccc([C@@H]2CNCCN2C(=O)[O-])cc1	ZINC000616636268	351124820	/nfs/dbraw/zinc/12/48/20/351124820.db2.gz	UNBJRPBTFFRNSP-JTQLQIEISA-N	-1	1	249.270	0.410	10	0		BCAEMM
COC(=O)N1CCC[C@H](c2nn[n-]n2)CC1	ZINC000616627901	351096819	/nfs/dbraw/zinc/09/68/19/351096819.db2.gz	DFELUMLTWGEXNP-ZETCQYMHSA-N	-1	1	225.252	0.536	10	0		BCAEMM
O=C([O-])N1CCCOC[C@@H]1c1nnc[nH]1	ZINC000616645982	351169642	/nfs/dbraw/zinc/16/96/42/351169642.db2.gz	GIPJIYRAEZADLP-ZCFIWIBFSA-N	-1	1	212.209	0.246	10	0		BCAEMM
Nc1ccc([C@H]2CNCCN2C(=O)[O-])cc1	ZINC000616637094	351129464	/nfs/dbraw/zinc/12/94/64/351129464.db2.gz	SEBPMJLDYPXHHX-SNVBAGLBSA-N	-1	1	221.260	0.893	10	0		BCAEMM
CC(C)(C)N1CCOC[C@@H]1c1nn[n-]n1	ZINC000616637130	351133220	/nfs/dbraw/zinc/13/32/20/351133220.db2.gz	LOXWSWKGIDWDPY-SSDOTTSWSA-N	-1	1	211.269	0.372	10	0		BCAEMM
O=c1[n-]nc([C@H]2CCCCS2(=O)=O)o1	ZINC000167976767	351141338	/nfs/dbraw/zinc/14/13/38/351141338.db2.gz	RUMQNMNPACZEKI-RXMQYKEDSA-N	-1	1	218.234	0.003	10	0		BCAEMM
CN1c2ccccc2NC[C@H]1c1nn[n-]n1	ZINC000616683226	351254036	/nfs/dbraw/zinc/25/40/36/351254036.db2.gz	LTJKAWWEKIYQIK-VIFPVBQESA-N	-1	1	216.248	0.803	10	0		BCAEMM
O=C([O-])N1CCOC[C@H](c2cnc[nH]2)C1	ZINC000616659398	351207154	/nfs/dbraw/zinc/20/71/54/351207154.db2.gz	QZGDLAPBLPXWLS-SSDOTTSWSA-N	-1	1	211.221	0.504	10	0		BCAEMM
Cn1cnc(CN2CC[C@@H](C(=O)[O-])C2)c1	ZINC000307021616	351430045	/nfs/dbraw/zinc/43/00/45/351430045.db2.gz	CBCOENADPPRDAC-MRVPVSSYSA-N	-1	1	209.249	0.327	10	0		BCAEMM
Cn1c2c([nH]c1=S)C[C@H](C(=O)[O-])CC2	ZINC000076127428	180623172	/nfs/dbraw/zinc/62/31/72/180623172.db2.gz	FDJNNQFMVMOOJD-RXMQYKEDSA-N	-1	1	212.274	0.898	10	0		BCAEMM
Cc1ccc([O-])c(N=[S@@](C)(N)=O)n1	ZINC000404728095	351949726	/nfs/dbraw/zinc/94/97/26/351949726.db2.gz	SKYASABUEBXEIS-CYBMUJFWSA-N	-1	1	201.251	0.699	10	0		BCAEMM
Cc1n[n-]c(=S)n1NC(=O)C(C)C	ZINC000307355196	352324629	/nfs/dbraw/zinc/32/46/29/352324629.db2.gz	UDPFNVLOLLIXPB-UHFFFAOYSA-N	-1	1	200.267	0.975	10	0		BCAEMM
Cc1nc(CN2CC[C@@H](C(=O)[O-])C2)co1	ZINC000307614418	352670903	/nfs/dbraw/zinc/67/09/03/352670903.db2.gz	OFLDTQGAYIDTCP-MRVPVSSYSA-N	-1	1	210.233	0.890	10	0		BCAEMM
Clc1nsnc1NCc1nn[n-]n1	ZINC000229296723	352933751	/nfs/dbraw/zinc/93/37/51/352933751.db2.gz	ABXXGZHFMAVDRZ-UHFFFAOYSA-N	-1	1	217.645	0.317	10	0		BCAEMM
CC(=O)CC(=O)[N-]C(=O)c1ccncc1	ZINC000196710388	188086319	/nfs/dbraw/zinc/08/63/19/188086319.db2.gz	DHTGTJHRGHLHPD-UHFFFAOYSA-N	-1	1	206.201	0.317	10	0		BCAEMM
CC(C)[C@H](N)C(=O)O[C@H](C(=O)[O-])C(C)C	ZINC000169543167	188078503	/nfs/dbraw/zinc/07/85/03/188078503.db2.gz	UZNZAPHKUQLIPK-YUMQZZPRSA-N	-1	1	217.265	0.622	10	0		BCAEMM
O=C([O-])c1nn(-c2ccc(F)cc2)c(=O)[nH]1	ZINC000020272446	188108590	/nfs/dbraw/zinc/10/85/90/188108590.db2.gz	ZJMRVIMWJOAFNW-UHFFFAOYSA-N	-1	1	223.163	0.810	10	0		BCAEMM
CSC[C@H](C)n1c(=O)cc([O-])[nH]c1=O	ZINC000128418665	353291385	/nfs/dbraw/zinc/29/13/85/353291385.db2.gz	FHOUOEONYOFPDE-YFKPBYRVSA-N	-1	1	216.262	0.206	10	0		BCAEMM
NC(=O)CNCc1ccc(O)c(Cl)c1	ZINC000043476587	181235606	/nfs/dbraw/zinc/23/56/06/181235606.db2.gz	CGLGQMOQFRWIJH-UHFFFAOYSA-N	-1	1	214.652	0.621	10	0		BCAEMM
Cn1cnc(-c2ccc([O-])c(C(N)=O)c2)c1	ZINC000584592471	358250424	/nfs/dbraw/zinc/25/04/24/358250424.db2.gz	MSRCYCODDUKVDM-UHFFFAOYSA-N	-1	1	217.228	0.892	10	0		BCAEMM
NN=c1nnc(-c2ccc(O)cc2)c[n-]1	ZINC000584632653	358315339	/nfs/dbraw/zinc/31/53/39/358315339.db2.gz	OEIKKUZQLBSAQP-UHFFFAOYSA-N	-1	1	203.205	0.530	10	0		BCAEMM
O=C([O-])[C@@H]1C[C@@H](O)CN1Cc1cccs1	ZINC000228180512	359332671	/nfs/dbraw/zinc/33/26/71/359332671.db2.gz	ITUKCFHMMOHFIW-APPZFPTMSA-N	-1	1	227.285	0.768	10	0		BCAEMM
Cn1[n-]c(=O)nc1S[C@H]1CCCO1	ZINC000306533551	360394426	/nfs/dbraw/zinc/39/44/26/360394426.db2.gz	KGSSJCIIGDHYNV-YFKPBYRVSA-N	-1	1	201.251	0.337	10	0		BCAEMM
C[C@H]1SCC[C@H]1n1c(=O)[n-][nH]c1=S	ZINC000306545548	360414354	/nfs/dbraw/zinc/41/43/54/360414354.db2.gz	CNQGMLZRQBHTAX-RFZPGFLSSA-N	-1	1	217.319	0.927	10	0		BCAEMM
NCC(=O)Nc1cc(C(=O)[O-])c(F)cc1F	ZINC000037001897	181355141	/nfs/dbraw/zinc/35/51/41/181355141.db2.gz	YKEMGFJWMMCQHG-UHFFFAOYSA-N	-1	1	230.170	0.560	10	0		BCAEMM
NCC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1	ZINC000042417663	181355466	/nfs/dbraw/zinc/35/54/66/181355466.db2.gz	CPMMIQFIGMTVFG-UHFFFAOYSA-N	-1	1	228.635	0.935	10	0		BCAEMM
O=[S@]([O-])c1ccc2c(c1)S(=O)(=O)NC=N2	ZINC000675060679	541463982	/nfs/dbraw/zinc/46/39/82/541463982.db2.gz	GQQRHHUTDDVXSR-UHFFFAOYSA-N	-1	1	246.269	0.219	10	0		BCAEMM
CCC1([C@@H](C)C[C@H](C)O)C(=O)[N-]C(=O)NC1=O	ZINC000005819450	369030357	/nfs/dbraw/zinc/03/03/57/369030357.db2.gz	XYOPMDJVSWQZTM-BQBZGAKWSA-N	-1	1	242.275	0.156	10	0		BCAEMM
Nc1cc(=O)[n-]c(SCc2ccno2)n1	ZINC000020304909	181676858	/nfs/dbraw/zinc/67/68/58/181676858.db2.gz	PVDUHEDSKMHYAI-UHFFFAOYSA-N	-1	1	224.245	0.632	10	0		BCAEMM
CC(C)[N@H+]1CC[C@H](C(=O)[O-])[C@@H](C(=O)[O-])C1	ZINC000225749164	371572643	/nfs/dbraw/zinc/57/26/43/371572643.db2.gz	RUYIPSHUKUKOLI-YUMQZZPRSA-N	-1	1	215.249	0.502	10	0		BCAEMM
C/C(=C\C(=O)[O-])C[N@H+]1CCCC2(C1)OCCO2	ZINC000134233568	372184247	/nfs/dbraw/zinc/18/42/47/372184247.db2.gz	JTOOBVAXRMIOIC-JXMROGBWSA-N	-1	1	241.287	0.856	10	0		BCAEMM
C/C(=C\C(=O)[O-])CN1CCCC2(C1)OCCO2	ZINC000134233568	372184253	/nfs/dbraw/zinc/18/42/53/372184253.db2.gz	JTOOBVAXRMIOIC-JXMROGBWSA-N	-1	1	241.287	0.856	10	0		BCAEMM
O=C([O-])[C@H]1CSC2(CCOCC2)N1	ZINC000039438150	372972044	/nfs/dbraw/zinc/97/20/44/372972044.db2.gz	JBSSRIXLYROGNF-ZCFIWIBFSA-N	-1	1	203.263	0.283	10	0		BCAEMM
Cc1c([O-])[nH]c(=O)n(Cc2ccccc2)c1=O	ZINC000142956540	374118213	/nfs/dbraw/zinc/11/82/13/374118213.db2.gz	IKRKLQSAKDFPCB-MRVPVSSYSA-N	-1	1	232.239	0.901	10	0		BCAEMM
Nc1n[n-]c(=S)n1C[C@@H]1CCCO1	ZINC000070880970	374221545	/nfs/dbraw/zinc/22/15/45/374221545.db2.gz	MSGBXXLKUMHOIG-YFKPBYRVSA-N	-1	1	200.267	0.702	10	0		BCAEMM
O=C(N[C@H]1CCC[C@@H](O)C1)c1cncc([O-])c1	ZINC000104424059	182332204	/nfs/dbraw/zinc/33/22/04/182332204.db2.gz	MEZZNGKLWLDVJW-VHSXEESVSA-N	-1	1	236.271	0.821	10	0		BCAEMM
O=C(Nc1ccccc1)n1cc(F)c(=O)[n-]c1=O	ZINC000003068994	182377900	/nfs/dbraw/zinc/37/79/00/182377900.db2.gz	PXXNTSRWKSCFCK-UHFFFAOYSA-N	-1	1	249.201	0.756	10	0		BCAEMM
CCCC[C@H](O)[C@@H]1CC([O-])=CC(=O)O1	ZINC000090416689	169012910	/nfs/dbraw/zinc/01/29/10/169012910.db2.gz	LMZJGHLGFXUZOF-IUCAKERBSA-N	-1	1	200.234	0.812	10	0		BCAEMM
Cc1ccc(S(=O)(=O)[N-]c2cn[nH]n2)cc1	ZINC000005385601	384112029	/nfs/dbraw/zinc/11/20/29/384112029.db2.gz	NUOOWPBYCMKMJH-UHFFFAOYSA-N	-1	1	238.272	0.914	10	0		BCAEMM
Nc1nc(N2CCCC2)[n-]c(=O)c1N=O	ZINC000072417122	384136338	/nfs/dbraw/zinc/13/63/38/384136338.db2.gz	LFYFLGFJZXGRPK-UHFFFAOYSA-N	-1	1	209.209	0.763	10	0		BCAEMM
Cc1n[n-]c(=S)n1CC(=O)N(C)C	ZINC000005748764	384128093	/nfs/dbraw/zinc/12/80/93/384128093.db2.gz	ORHLPOKMYPKCOT-UHFFFAOYSA-N	-1	1	200.267	0.337	10	0		BCAEMM
CCN1CCN(c2ccc(C(=O)[O-])nc2)CC1	ZINC000077370880	384961337	/nfs/dbraw/zinc/96/13/37/384961337.db2.gz	KBTXCHHEXXWERX-UHFFFAOYSA-N	-1	1	235.287	0.922	10	0		BCAEMM
C[C@@H]1NC(=O)CC[C@H]1NC(=O)c1cncc([O-])c1	ZINC000282706871	385958841	/nfs/dbraw/zinc/95/88/41/385958841.db2.gz	YDZVITITCGOWFX-OIBJUYFYSA-N	-1	1	249.270	0.184	10	0		BCAEMM
C[C@H](NCc1n[nH]c(=O)[n-]1)[C@H]1CCCO1	ZINC000336751634	386011552	/nfs/dbraw/zinc/01/15/52/386011552.db2.gz	GNZJHOWDOGRKNG-NKWVEPMBSA-N	-1	1	212.253	0.167	10	0		BCAEMM
O=C1[N-]NC(=C2CCCS2(=O)=O)O1	ZINC000575469022	387085179	/nfs/dbraw/zinc/08/51/79/387085179.db2.gz	PEWQLRGKGGJGFS-SCSAIBSYSA-N	-1	1	204.207	0.025	10	0		BCAEMM
COC(=O)Cc1ccc([N+](=O)[O-])c([O-])c1N	ZINC000575640361	387838617	/nfs/dbraw/zinc/83/86/17/387838617.db2.gz	MMDHGAYTIAVFGX-UHFFFAOYSA-N	-1	1	226.188	0.598	10	0		BCAEMM
COC(=O)c1c(N)ccc([O-])c1[N+](=O)[O-]	ZINC000575640721	387840069	/nfs/dbraw/zinc/84/00/69/387840069.db2.gz	OJEVQOKBBPYYGT-UHFFFAOYSA-N	-1	1	212.161	0.669	10	0		BCAEMM
CCOc1cc([O-])c(C#N)c(C(N)=O)c1	ZINC000575643425	387865090	/nfs/dbraw/zinc/86/50/90/387865090.db2.gz	FTVFSAKCXLSQBG-UHFFFAOYSA-N	-1	1	206.201	0.761	10	0		BCAEMM
CCN1CCN(c2ncncc2C(=O)[O-])CC1	ZINC000020385646	132331397	/nfs/dbraw/zinc/33/13/97/132331397.db2.gz	SXMGKFPCXKTABP-UHFFFAOYSA-N	-1	1	236.275	0.317	10	0		BCAEMM
O=C([O-])C[N@H+]1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1	ZINC000262082760	135277888	/nfs/dbraw/zinc/27/78/88/135277888.db2.gz	FLEAZRKLQSTATH-OIBJUYFYSA-N	-1	1	213.233	0.258	10	0		BCAEMM
CCC[C@@H](NC(=O)CCc1nc[nH]n1)C(=O)[O-]	ZINC000262347173	135294803	/nfs/dbraw/zinc/29/48/03/135294803.db2.gz	FCRXKOFAMDALIZ-SSDOTTSWSA-N	-1	1	240.263	0.107	10	0		BCAEMM
CCC[C@@H](NC(=O)CCc1ncn[nH]1)C(=O)[O-]	ZINC000262347173	135294804	/nfs/dbraw/zinc/29/48/04/135294804.db2.gz	FCRXKOFAMDALIZ-SSDOTTSWSA-N	-1	1	240.263	0.107	10	0		BCAEMM
COCCN(CC(=O)[O-])C[C@@H](O)C(C)C	ZINC000300941390	487560032	/nfs/dbraw/zinc/56/00/32/487560032.db2.gz	XWSNPAPYIMAPGH-SECBINFHSA-N	-1	1	219.281	0.036	10	0		BCAEMM
Cn1cc(C(=O)[O-])c(CN2CCCC2)n1	ZINC000575441533	411297942	/nfs/dbraw/zinc/29/79/42/411297942.db2.gz	UAFQHPQGLONPLK-UHFFFAOYSA-N	-1	1	209.249	0.714	10	0		BCAEMM
Cc1[nH]n(-c2ccncc2)c(=O)c1CC(=O)[O-]	ZINC000035779316	168135507	/nfs/dbraw/zinc/13/55/07/168135507.db2.gz	PLORMQOECIJDNB-VIFPVBQESA-N	-1	1	233.227	0.895	10	0		BCAEMM
O=C([O-])N1c2ccccc2NC[C@H]1c1nn[nH]n1	ZINC000616683665	411414609	/nfs/dbraw/zinc/41/46/09/411414609.db2.gz	QCKSBELCDKGOLP-QMMMGPOBSA-N	-1	1	246.230	0.851	10	0		BCAEMM
CC[C@@H](C)c1c([O-])[nH]c(=S)[nH]c1=O	ZINC000018205394	170801673	/nfs/dbraw/zinc/80/16/73/170801673.db2.gz	NPJPORUORPNTHO-SCSAIBSYSA-N	-1	1	200.263	0.591	10	0		BCAEMM
CC[C@H](C(=O)[O-])N1CC[S@@](=O)[C@H](C)C1	ZINC000306953040	171237200	/nfs/dbraw/zinc/23/72/00/171237200.db2.gz	HPJCXWIBPHTTDN-WFEFGEHDSA-N	-1	1	219.306	0.302	10	0		BCAEMM
CC[C@H](C)NC(=O)[C@@H](C)N[C@H](C(=O)[O-])C1CC1	ZINC000054522480	171332660	/nfs/dbraw/zinc/33/26/60/171332660.db2.gz	JIHRDINPDBKRMY-XKSSXDPKSA-N	-1	1	242.319	0.742	10	0		BCAEMM
CC[C@H](C)[N-]S(=O)(=O)c1nnc(N)s1	ZINC000041270783	171344973	/nfs/dbraw/zinc/34/49/73/171344973.db2.gz	PTQHRJDEZUSKCW-BYPYZUCNSA-N	-1	1	236.322	0.197	10	0		BCAEMM
CCn1c(=O)nc(-c2ccccc2)[n-]c1=O	ZINC000196287588	172132845	/nfs/dbraw/zinc/13/28/45/172132845.db2.gz	GWCFBSGBYFGJFO-UHFFFAOYSA-N	-1	1	217.228	0.619	10	0		BCAEMM
CN(C)C(=O)c1ccc([O-])cc1C(N)=O	ZINC000095711569	172390165	/nfs/dbraw/zinc/39/01/65/172390165.db2.gz	OYJMHTRZMRPNAV-UHFFFAOYSA-N	-1	1	208.217	0.193	10	0		BCAEMM
COCCNCc1nc(C)c(C(=O)[O-])s1	ZINC000049821684	174337226	/nfs/dbraw/zinc/33/72/26/174337226.db2.gz	WVEOVPIEKWNKFW-UHFFFAOYSA-N	-1	1	230.289	0.886	10	0		BCAEMM
COc1ccc(OC)c([C@@H](N)c2nnn[n-]2)c1	ZINC000019729481	175168226	/nfs/dbraw/zinc/16/82/26/175168226.db2.gz	LAUKVIMJZZUEPH-SECBINFHSA-N	-1	1	235.247	0.265	10	0		BCAEMM
COc1ccc(OC)c([C@@H](N)c2nn[n-]n2)c1	ZINC000019729481	175168228	/nfs/dbraw/zinc/16/82/28/175168228.db2.gz	LAUKVIMJZZUEPH-SECBINFHSA-N	-1	1	235.247	0.265	10	0		BCAEMM
COc1ccc2c(=O)cc(-c3nn[n-]n3)oc2c1	ZINC000005640383	175202735	/nfs/dbraw/zinc/20/27/35/175202735.db2.gz	UMTVSAMWMQVVMN-UHFFFAOYSA-N	-1	1	244.210	0.982	10	0		BCAEMM
C[C@@H]1CC(N)=NN1c1nc(C(=O)[O-])cs1	ZINC000045809395	176053358	/nfs/dbraw/zinc/05/33/58/176053358.db2.gz	IAJOOCPZZUVGHU-SCSAIBSYSA-N	-1	1	226.261	0.712	10	0		BCAEMM
C[C@H](Sc1nc2n[nH]cc2c(=O)[nH]1)C(=O)[O-]	ZINC000036673831	177030024	/nfs/dbraw/zinc/03/00/24/177030024.db2.gz	LGADDOBZXSFIEG-VKHMYHEASA-N	-1	1	240.244	0.624	10	0		BCAEMM
C[C@@H]1CC[C@H](C)C12C(=O)[N-]C(=O)NC2=O	ZINC000006030958	177182321	/nfs/dbraw/zinc/18/23/21/177182321.db2.gz	AYSCKFJUEHEIFG-OLQVQODUSA-N	-1	1	210.233	0.405	10	0		BCAEMM
C[C@H]1C[C@@H](O)CN(C(=O)c2cncc([O-])c2)C1	ZINC000401767808	226362145	/nfs/dbraw/zinc/36/21/45/226362145.db2.gz	VLNGGELSSWNNQK-GZMMTYOYSA-N	-1	1	236.271	0.630	10	0		BCAEMM
N#CC(=Cc1ccc(O)cc1)c1nnn[n-]1	ZINC000309058456	487985048	/nfs/dbraw/zinc/98/50/48/487985048.db2.gz	AEGSGSKXVYVIGX-VMPITWQZSA-N	-1	1	213.200	0.969	10	0		BCAEMM
N#CC(=Cc1ccc(O)cc1)c1nn[n-]n1	ZINC000309058456	487985052	/nfs/dbraw/zinc/98/50/52/487985052.db2.gz	AEGSGSKXVYVIGX-VMPITWQZSA-N	-1	1	213.200	0.969	10	0		BCAEMM
CC(C)[C@@H](C)N1CCN(C(=O)C(=O)[O-])CC1	ZINC000083960858	491120064	/nfs/dbraw/zinc/12/00/64/491120064.db2.gz	PGYATOKTTAKCGB-SECBINFHSA-N	-1	1	228.292	0.260	10	0		BCAEMM
CC(C)(CCN1CC[C@H]1C(N)=O)C(=O)[O-]	ZINC000757150284	582534329	/nfs/dbraw/zinc/53/43/29/582534329.db2.gz	PAQGYWVGHCLXQZ-ZETCQYMHSA-N	-1	1	214.265	0.047	10	0		BCAEMM
CN(C)CC(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1	ZINC000393389305	582536728	/nfs/dbraw/zinc/53/67/28/582536728.db2.gz	AJLDXSSCSSBSGM-BDAKNGLRSA-N	-1	1	228.292	0.308	10	0		BCAEMM
Cn1nc(C(=O)[O-])cc1CNC1CSC1	ZINC000757179957	586433541	/nfs/dbraw/zinc/43/35/41/586433541.db2.gz	PIBULJAJMTXFOW-UHFFFAOYSA-N	-1	1	227.289	0.323	10	0		BCAEMM
CCCC(=O)N1CCC[C@@H]1c1nn[n-]n1	ZINC000095264467	635443117	/nfs/dbraw/zinc/44/31/17/635443117.db2.gz	CGJLGCGDGCEEKF-SSDOTTSWSA-N	-1	1	209.253	0.663	10	0		BCAEMM
O=C(C1CCC1)N1CCC[C@@H]1c1nn[n-]n1	ZINC000095119914	635425486	/nfs/dbraw/zinc/42/54/86/635425486.db2.gz	ZKGUOYWHWCXKRR-MRVPVSSYSA-N	-1	1	221.264	0.663	10	0		BCAEMM
C[C@@H](NC(=O)c1cncc([O-])c1)[C@H](C)O	ZINC000346471308	637145542	/nfs/dbraw/zinc/14/55/42/637145542.db2.gz	QYXLVFGZWKCHAX-RQJHMYQMSA-N	-1	1	210.233	0.286	10	0		BCAEMM
O=C(c1ccncc1)N1CCC[C@H]1c1nn[n-]n1	ZINC000095184826	641598501	/nfs/dbraw/zinc/59/85/01/641598501.db2.gz	KDRBATVZMJILKR-VIFPVBQESA-N	-1	1	244.258	0.572	10	0		BCAEMM
O=C(c1ccon1)N1CCC[C@H]1c1nn[n-]n1	ZINC000095185204	641598676	/nfs/dbraw/zinc/59/86/76/641598676.db2.gz	XYFYANAUGSKDGO-ZETCQYMHSA-N	-1	1	234.219	0.165	10	0		BCAEMM
CCOCCO[N-]C(=O)[C@H]1CCCO[C@H]1C	ZINC000190379522	641862183	/nfs/dbraw/zinc/86/21/83/641862183.db2.gz	YXDQHKFOEKYGBX-UWVGGRQHSA-N	-1	1	231.292	0.886	10	0		BCAEMM
CCC[C@H](NCC(=O)NCC1CCC1)C(=O)[O-]	ZINC000185029026	643259396	/nfs/dbraw/zinc/25/93/96/643259396.db2.gz	MSSBGONLIREGIH-JTQLQIEISA-N	-1	1	242.319	0.746	10	0		BCAEMM
C[C@@H]1OCCC[C@H]1C(=O)[N-]OC[C@H]1CCOC1	ZINC000248858954	644702619	/nfs/dbraw/zinc/70/26/19/644702619.db2.gz	ACVFREAMCIJDOK-GARJFASQSA-N	-1	1	243.303	0.886	10	0		BCAEMM
CC(F)(F)CC(=O)N1CCC[C@@H]1c1nn[n-]n1	ZINC000720653224	712861164	/nfs/dbraw/zinc/86/11/64/712861164.db2.gz	CFNLEZKGUHMDFM-ZCFIWIBFSA-N	-1	1	245.233	0.909	10	0		BCAEMM
COC[C@H](C)C(=O)[N-]OCCSC	ZINC000379401999	711801474	/nfs/dbraw/zinc/80/14/74/711801474.db2.gz	MAEHZGVESKNFFI-ZETCQYMHSA-N	-1	1	207.295	0.680	10	0		BCAEMM
O=C(Nc1nnn[n-]1)[C@@H]1Cc2ccccc2CO1	ZINC000709994295	712238929	/nfs/dbraw/zinc/23/89/29/712238929.db2.gz	XJACHCPNDJAXRQ-VIFPVBQESA-N	-1	1	245.242	0.280	10	0		BCAEMM
O=C(Nc1nn[n-]n1)[C@@H]1Cc2ccccc2CO1	ZINC000709994295	712238930	/nfs/dbraw/zinc/23/89/30/712238930.db2.gz	XJACHCPNDJAXRQ-VIFPVBQESA-N	-1	1	245.242	0.280	10	0		BCAEMM
CCC[C@H](N[C@H](C)C(=O)NCC(C)C)C(=O)[O-]	ZINC000036839986	712499723	/nfs/dbraw/zinc/49/97/23/712499723.db2.gz	RMPNVVPMYZSSQC-ZJUUUORDSA-N	-1	1	244.335	0.990	10	0		BCAEMM
CCC[C@@H](NCC(=O)N1CCCCC1)C(=O)[O-]	ZINC000036839420	712500096	/nfs/dbraw/zinc/50/00/96/712500096.db2.gz	YMPSQHXEGRUIDP-SNVBAGLBSA-N	-1	1	242.319	0.842	10	0		BCAEMM
O=C([C@H]1C[C@H]2C[C@H]2C1)N1CCC[C@H]1c1nn[n-]n1	ZINC000720632969	712859940	/nfs/dbraw/zinc/85/99/40/712859940.db2.gz	ADIGWAHQSIFGHD-JLIMGVALSA-N	-1	1	247.302	0.909	10	0		BCAEMM
CC[C@@H]1C[C@H]1C(=O)N1CCC[C@H]1c1nn[n-]n1	ZINC000720638626	712860116	/nfs/dbraw/zinc/86/01/16/712860116.db2.gz	XKGMEMFOMXYPMY-HLTSFMKQSA-N	-1	1	235.291	0.909	10	0		BCAEMM
CC(F)(F)C(=O)N1CCC[C@@H]1c1nn[n-]n1	ZINC000720656340	712860799	/nfs/dbraw/zinc/86/07/99/712860799.db2.gz	ZYZMQLAQBKUHIT-RXMQYKEDSA-N	-1	1	231.206	0.518	10	0		BCAEMM
COC(=O)c1nn[n-]c1C(F)(F)C(F)F	ZINC000685953251	538897133	/nfs/dbraw/zinc/89/71/33/538897133.db2.gz	ILHUFUAIAFRQNO-UHFFFAOYSA-N	-1	1	227.117	0.948	10	0		BCAEMM
COC(=O)c1n[n-]nc1C(F)(F)C(F)F	ZINC000685953251	538897136	/nfs/dbraw/zinc/89/71/36/538897136.db2.gz	ILHUFUAIAFRQNO-UHFFFAOYSA-N	-1	1	227.117	0.948	10	0		BCAEMM
Cc1cc(N[C@@H](C)c2nn[n-]n2)nc(C)n1	ZINC000044931416	178180368	/nfs/dbraw/zinc/18/03/68/178180368.db2.gz	OCFSMMNDIYKMGW-LURJTMIESA-N	-1	1	219.252	0.780	10	0		BCAEMM
Cc1cc(N[C@H](C)c2nn[n-]n2)ncn1	ZINC000044931259	178187411	/nfs/dbraw/zinc/18/74/11/178187411.db2.gz	MRNQUZKOJVVFGK-ZCFIWIBFSA-N	-1	1	205.225	0.471	10	0		BCAEMM
Cc1cc(Cn2c(N)n[n-]c2=S)no1	ZINC000070882639	361850168	/nfs/dbraw/zinc/85/01/68/361850168.db2.gz	POJGLJBWIUEFOP-UHFFFAOYSA-N	-1	1	211.250	0.868	10	0		BCAEMM
COC(=O)CN1C(=O)c2cccc([O-])c2C1=O	ZINC000148726160	342792253	/nfs/dbraw/zinc/79/22/53/342792253.db2.gz	NSXKKLNRVUYFSU-UHFFFAOYSA-N	-1	1	235.195	0.161	10	0		BCAEMM
CCc1n[n-]c(=S)n1[C@@H](C)C(=O)NC	ZINC000042572197	362008874	/nfs/dbraw/zinc/00/88/74/362008874.db2.gz	UXNNFVJDHLCFSD-YFKPBYRVSA-N	-1	1	214.294	0.810	10	0		BCAEMM
N[C@@H]1Cc2cccc(C(=O)[O-])c2NC1=O	ZINC000039086911	343381901	/nfs/dbraw/zinc/38/19/01/343381901.db2.gz	NSLJATRLMJYHTM-SSDOTTSWSA-N	-1	1	206.201	0.207	10	0		BCAEMM
CO[C@H](C)c1nc(=N[C@@H]2C[C@H]2CO)s[n-]1	ZINC000379972952	365770707	/nfs/dbraw/zinc/77/07/07/365770707.db2.gz	CBYJXSAAIYXAMZ-DSYKOEDSSA-N	-1	1	229.305	0.460	10	0		BCAEMM
NC(=O)NC(=O)c1cc(Cl)ccc1[O-]	ZINC000070044906	343947724	/nfs/dbraw/zinc/94/77/24/343947724.db2.gz	RYGURMOOKQZSAF-UHFFFAOYSA-N	-1	1	214.608	0.854	10	0		BCAEMM
COC(=O)c1c([O-])c(C#N)ccc1C=O	ZINC000396134077	344612623	/nfs/dbraw/zinc/61/26/23/344612623.db2.gz	CIPNJWVWWYCCDE-UHFFFAOYSA-N	-1	1	205.169	0.863	10	0		BCAEMM
N#Cc1cc(O)c(C=O)cc1CC(=O)[O-]	ZINC000396136175	344613549	/nfs/dbraw/zinc/61/35/49/344613549.db2.gz	KQPSTCDFVLZORE-UHFFFAOYSA-N	-1	1	205.169	0.703	10	0		BCAEMM
C[C@@H]1C[N@@H+](C[C@@](C)(O)C(=O)[O-])CCS1	ZINC000220981843	344655128	/nfs/dbraw/zinc/65/51/28/344655128.db2.gz	ZQQPXLRCJZQDAX-VXNVDRBHSA-N	-1	1	219.306	0.259	10	0		BCAEMM
C[C@H]1CC[C@H](n2nnc(CN)c2C(=O)[O-])C1	ZINC000675052685	537859039	/nfs/dbraw/zinc/85/90/39/537859039.db2.gz	HSMVZFNNSGLWGH-BQBZGAKWSA-N	-1	1	224.264	0.796	10	0		BCAEMM
C[C@@H]1CC[C@H](n2nnc(CN)c2C(=O)[O-])C1	ZINC000675052691	537859312	/nfs/dbraw/zinc/85/93/12/537859312.db2.gz	HSMVZFNNSGLWGH-RQJHMYQMSA-N	-1	1	224.264	0.796	10	0		BCAEMM
C[C@@H](NC(=O)c1cscn1)c1nn[n-]n1	ZINC000062358414	346242536	/nfs/dbraw/zinc/24/25/36/346242536.db2.gz	QVZCJABMUMBPTG-SCSAIBSYSA-N	-1	1	224.249	0.147	10	0		BCAEMM
COC(=O)c1cnc(CCSC)[n-]c1=O	ZINC000669378503	537971434	/nfs/dbraw/zinc/97/14/34/537971434.db2.gz	ISVXHVWLWNOFOB-UHFFFAOYSA-N	-1	1	228.273	0.874	10	0		BCAEMM
OCc1n[n-]c(=S)n1N1CCCCC1	ZINC000148631412	346369433	/nfs/dbraw/zinc/36/94/33/346369433.db2.gz	JKBPLVQYGXTMHS-UHFFFAOYSA-N	-1	1	214.294	0.181	10	0		BCAEMM
CN(C)N=c1nc(N(C)C)nc(Cl)[n-]1	ZINC000149623525	347381688	/nfs/dbraw/zinc/38/16/88/347381688.db2.gz	IURKECWUYZERFR-UHFFFAOYSA-N	-1	1	216.676	0.480	10	0		BCAEMM
O=C(N[C@@H]1CCNC1=O)c1cc(F)ccc1[O-]	ZINC000616961036	347536125	/nfs/dbraw/zinc/53/61/25/347536125.db2.gz	RWQONQMYMPZHHY-MRVPVSSYSA-N	-1	1	238.218	0.150	10	0		BCAEMM
CC(C)[C@H](NC(=O)c1ncccc1[O-])C(N)=O	ZINC000189322548	187391392	/nfs/dbraw/zinc/39/13/92/187391392.db2.gz	YRXMRHLQEDMUPI-QMMMGPOBSA-N	-1	1	237.259	0.027	10	0		BCAEMM
CCc1n[n-]c(=S)n1CC(=O)NC	ZINC000037225035	348272215	/nfs/dbraw/zinc/27/22/15/348272215.db2.gz	XXWBESULIIMDGD-UHFFFAOYSA-N	-1	1	200.267	0.249	10	0		BCAEMM
CN(C)C(=O)N([O-])S(=O)(=O)c1ccccc1	ZINC000584658014	490178662	/nfs/dbraw/zinc/17/86/62/490178662.db2.gz	VVXSOVNZITYXQI-UHFFFAOYSA-N	-1	1	244.272	0.748	10	0		BCAEMM
Cc1nc(Br)c([C@H](N)C(=O)[O-])[nH]1	ZINC000082342605	180052506	/nfs/dbraw/zinc/05/25/06/180052506.db2.gz	ACSIMLUTZBRVPN-VKHMYHEASA-N	-1	1	234.053	0.565	10	0		BCAEMM
CO[C@@H](C)C(=O)C1=C([O-])CC(C)CC1=O	ZINC000725257712	538068139	/nfs/dbraw/zinc/06/81/39/538068139.db2.gz	WKXSZQISYDYIOP-DSQUFTABSA-N	-1	1	212.245	0.775	10	0		BCAEMM
Cc1nccc(CN[C@H](C)c2nn[n-]n2)n1	ZINC000054790882	180190883	/nfs/dbraw/zinc/19/08/83/180190883.db2.gz	GIPRSSAEGWKUAT-ZCFIWIBFSA-N	-1	1	219.252	0.149	10	0		BCAEMM
FC(F)Oc1ccc(NCc2nn[n-]n2)nc1	ZINC000393089289	350587925	/nfs/dbraw/zinc/58/79/25/350587925.db2.gz	KRYBTVGEOLDNMV-UHFFFAOYSA-N	-1	1	242.189	0.808	10	0		BCAEMM
O=C([O-])N1CCCCC[C@H]1c1nn[nH]n1	ZINC000616624178	351091081	/nfs/dbraw/zinc/09/10/81/351091081.db2.gz	WRVJRFTYGJPXBL-LURJTMIESA-N	-1	1	211.225	0.795	10	0		BCAEMM
O=C([O-])N1CCCO[C@@H](c2c[nH]nn2)C1	ZINC000616653588	351193721	/nfs/dbraw/zinc/19/37/21/351193721.db2.gz	YDYCFVJIHYZLJQ-SSDOTTSWSA-N	-1	1	212.209	0.246	10	0		BCAEMM
O=C([O-])N1CCCOC[C@H]1c1cnc[nH]1	ZINC000616649029	351177525	/nfs/dbraw/zinc/17/75/25/351177525.db2.gz	ZWMLDORBXJZGDA-QMMMGPOBSA-N	-1	1	211.221	0.851	10	0		BCAEMM
O=C([O-])N1CCCO[C@@H](c2nnc[nH]2)C1	ZINC000616651811	351189290	/nfs/dbraw/zinc/18/92/90/351189290.db2.gz	KGMXEGHHSFJDBH-ZCFIWIBFSA-N	-1	1	212.209	0.246	10	0		BCAEMM
NC(=O)N1CCNC[C@@H]1c1ccc(C(=O)[O-])cc1	ZINC000616639998	351144589	/nfs/dbraw/zinc/14/45/89/351144589.db2.gz	UIQFYDFFXBUNGO-SNVBAGLBSA-N	-1	1	249.270	0.410	10	0		BCAEMM
Cc1nnc(CSc2nc(N)cc(=O)[n-]2)o1	ZINC000034936605	351349934	/nfs/dbraw/zinc/34/99/34/351349934.db2.gz	VULIJRMRMPOQGF-UHFFFAOYSA-N	-1	1	239.260	0.336	10	0		BCAEMM
C[C@H]1C[C@H](n2c(=O)[n-][nH]c2=S)CS1	ZINC000307242119	351746927	/nfs/dbraw/zinc/74/69/27/351746927.db2.gz	IHRGBXHQCLRNIJ-WHFBIAKZSA-N	-1	1	217.319	0.927	10	0		BCAEMM
NC(=O)[C@H](O)c1cccc([O-])c1Cl	ZINC000307298080	351911694	/nfs/dbraw/zinc/91/16/94/351911694.db2.gz	QOJJJOWISAFSNH-SSDOTTSWSA-N	-1	1	201.609	0.564	10	0		BCAEMM
Cc1cc(=O)c2ccccc2n1Cc1nn[n-]n1	ZINC000040175740	352192458	/nfs/dbraw/zinc/19/24/58/352192458.db2.gz	FNYJMSUWBSMOBO-UHFFFAOYSA-N	-1	1	241.254	0.871	10	0		BCAEMM
O=c1ccnc(S[C@H]2COC[C@@H]2O)[n-]1	ZINC000307371934	352470615	/nfs/dbraw/zinc/47/06/15/352470615.db2.gz	QMXMDKFPVANHPW-WDSKDSINSA-N	-1	1	214.246	0.034	10	0		BCAEMM
N[C@H](c1nnn[n-]1)c1ccsc1Cl	ZINC000307590839	352662000	/nfs/dbraw/zinc/66/20/00/352662000.db2.gz	CTZZIFYONHGOQW-BYPYZUCNSA-N	-1	1	215.669	0.963	10	0		BCAEMM
N[C@H](c1nn[n-]n1)c1ccsc1Cl	ZINC000307590839	352662003	/nfs/dbraw/zinc/66/20/03/352662003.db2.gz	CTZZIFYONHGOQW-BYPYZUCNSA-N	-1	1	215.669	0.963	10	0		BCAEMM
C[C@@H](N[C@@H](C)C(=O)[O-])C(=O)N1CCCC1	ZINC000035389029	188103189	/nfs/dbraw/zinc/10/31/89/188103189.db2.gz	ZSNIIUTYVNZQCJ-SFYZADRCSA-N	-1	1	214.265	0.060	10	0		BCAEMM
Nc1ccc(S(=O)(=O)[O-])c2cn[nH]c21	ZINC000089200527	188143883	/nfs/dbraw/zinc/14/38/83/188143883.db2.gz	VOGMEWQTHMWJRW-UHFFFAOYSA-N	-1	1	213.218	0.392	10	0		BCAEMM
CNC(=O)c1ccc(C(=O)N(C)C)cc1[O-]	ZINC000095712293	188146726	/nfs/dbraw/zinc/14/67/26/188146726.db2.gz	YCICAUVJMYVNTQ-UHFFFAOYSA-N	-1	1	222.244	0.454	10	0		BCAEMM
O=C([O-])C1(CCN2CCOCC2)CCC1	ZINC000086350099	538553442	/nfs/dbraw/zinc/55/34/42/538553442.db2.gz	SJVIIMRBGRGKIP-UHFFFAOYSA-N	-1	1	213.277	0.964	10	0		BCAEMM
CCOC(=O)c1cnc(C2(C)CC2)[n-]c1=O	ZINC000087553610	538567712	/nfs/dbraw/zinc/56/77/12/538567712.db2.gz	GKYOUWLOOJLXOO-UHFFFAOYSA-N	-1	1	222.244	0.998	10	0		BCAEMM
O=C([O-])c1cnc(-c2ncc[nH]2)nc1O	ZINC000087342574	538567039	/nfs/dbraw/zinc/56/70/39/538567039.db2.gz	SLQYYMLWLLXOKD-UHFFFAOYSA-N	-1	1	206.161	0.271	10	0		BCAEMM
COC(=O)c1cnc(NC2CC2)[n-]c1=O	ZINC000260016352	538836882	/nfs/dbraw/zinc/83/68/82/538836882.db2.gz	JUPBFMBBSBFORM-UHFFFAOYSA-N	-1	1	209.205	0.543	10	0		BCAEMM
Cc1cc(-c2nc(N)[n-]c(=S)n2)on1	ZINC000137335957	538871759	/nfs/dbraw/zinc/87/17/59/538871759.db2.gz	XUEHANSWRRUBNS-UHFFFAOYSA-N	-1	1	209.234	0.706	10	0		BCAEMM
COC(=O)c1[n-]nnc1[C@@H]1CCCCO1	ZINC000685952845	538894232	/nfs/dbraw/zinc/89/42/32/538894232.db2.gz	DFNSELHWIZTESO-LURJTMIESA-N	-1	1	211.221	0.833	10	0		BCAEMM
COC(=O)c1nn[n-]c1[C@@H]1CCCCO1	ZINC000685952845	538894233	/nfs/dbraw/zinc/89/42/33/538894233.db2.gz	DFNSELHWIZTESO-LURJTMIESA-N	-1	1	211.221	0.833	10	0		BCAEMM
COC(=O)c1n[n-]nc1[C@@H]1CCCCO1	ZINC000685952845	538894234	/nfs/dbraw/zinc/89/42/34/538894234.db2.gz	DFNSELHWIZTESO-LURJTMIESA-N	-1	1	211.221	0.833	10	0		BCAEMM
COC(=O)c1[n-]nnc1[C@H]1CCCCO1	ZINC000685952851	538894741	/nfs/dbraw/zinc/89/47/41/538894741.db2.gz	DFNSELHWIZTESO-ZCFIWIBFSA-N	-1	1	211.221	0.833	10	0		BCAEMM
COC(=O)c1nn[n-]c1[C@H]1CCCCO1	ZINC000685952851	538894742	/nfs/dbraw/zinc/89/47/42/538894742.db2.gz	DFNSELHWIZTESO-ZCFIWIBFSA-N	-1	1	211.221	0.833	10	0		BCAEMM
COC(=O)c1n[n-]nc1[C@H]1CCCCO1	ZINC000685952851	538894745	/nfs/dbraw/zinc/89/47/45/538894745.db2.gz	DFNSELHWIZTESO-ZCFIWIBFSA-N	-1	1	211.221	0.833	10	0		BCAEMM
Cn1cc(-c2ccc([O-])c(C(N)=O)c2)cn1	ZINC000584592033	358250278	/nfs/dbraw/zinc/25/02/78/358250278.db2.gz	CNWNAGYXXIPSNY-UHFFFAOYSA-N	-1	1	217.228	0.892	10	0		BCAEMM
CC(=O)c1c(NNC(N)=S)oc(C)cc1=O	ZINC000584630877	358301528	/nfs/dbraw/zinc/30/15/28/358301528.db2.gz	CMKDWRLNPDFATR-DHZHZOJOSA-N	-1	1	241.272	0.145	10	0		BCAEMM
C=CC(=O)Oc1cc(C(=O)[O-])[nH+]c(C(=O)[O-])c1	ZINC000584634487	358318191	/nfs/dbraw/zinc/31/81/91/358318191.db2.gz	HFSAJDRRIAPPQC-UHFFFAOYSA-N	-1	1	237.167	0.569	10	0		BCAEMM
O[C@H]1CCCC[C@H]1Sc1nnn[n-]1	ZINC000306186064	359001544	/nfs/dbraw/zinc/00/15/44/359001544.db2.gz	JCEBGSRTDOGOOI-NTSWFWBYSA-N	-1	1	200.267	0.595	10	0		BCAEMM
O[C@H]1CCCC[C@H]1Sc1nn[n-]n1	ZINC000306186064	359001547	/nfs/dbraw/zinc/00/15/47/359001547.db2.gz	JCEBGSRTDOGOOI-NTSWFWBYSA-N	-1	1	200.267	0.595	10	0		BCAEMM
C[N@H+]1CCC[C@@]2(C1)N[C@@H](C(=O)[O-])CCS2	ZINC000227315698	371829863	/nfs/dbraw/zinc/82/98/63/371829863.db2.gz	ZFFQGQNIOATYDX-PSASIEDQSA-N	-1	1	230.333	0.588	10	0		BCAEMM
CN1CCC[C@@]2(C1)N[C@@H](C(=O)[O-])CCS2	ZINC000227315698	371829867	/nfs/dbraw/zinc/82/98/67/371829867.db2.gz	ZFFQGQNIOATYDX-PSASIEDQSA-N	-1	1	230.333	0.588	10	0		BCAEMM
O=C(C[P@@](=O)([O-])O)Nc1ccccn1	ZINC000066098150	182005839	/nfs/dbraw/zinc/00/58/39/182005839.db2.gz	NIQSVTFCYHYQQD-UHFFFAOYSA-N	-1	1	216.133	0.198	10	0		BCAEMM
Nc1n[n-]c(=S)n1C[C@H]1CCCO1	ZINC000070880963	374220946	/nfs/dbraw/zinc/22/09/46/374220946.db2.gz	MSGBXXLKUMHOIG-RXMQYKEDSA-N	-1	1	200.267	0.702	10	0		BCAEMM
CCCN(CC(=O)N(C)C)[C@H](C(=O)[O-])C(C)C	ZINC000042423153	169093240	/nfs/dbraw/zinc/09/32/40/169093240.db2.gz	PZLQJBRGAWQHET-NSHDSACASA-N	-1	1	244.335	0.896	10	0		BCAEMM
O=c1[nH][n-]c(O)c1[C@H]1CSCCN1	ZINC000105683535	183306592	/nfs/dbraw/zinc/30/65/92/183306592.db2.gz	AAVWDBWUNODKMS-SCSAIBSYSA-N	-1	1	201.251	0.198	10	0		BCAEMM
CCCn1c(=O)cc([O-])n(C)c1=S	ZINC000095931549	169183181	/nfs/dbraw/zinc/18/31/81/169183181.db2.gz	YPQJRSDLEFTIPE-UHFFFAOYSA-N	-1	1	200.263	0.372	10	0		BCAEMM
CCCNC(=O)[C@@H](C)N[C@@H](CCC)C(=O)[O-]	ZINC000036840010	169242575	/nfs/dbraw/zinc/24/25/75/169242575.db2.gz	GFLDOTMANWQOHN-BDAKNGLRSA-N	-1	1	230.308	0.744	10	0		BCAEMM
CCC[C@@H](NCC(=O)NC(C)(C)C)C(=O)[O-]	ZINC000036839060	169399617	/nfs/dbraw/zinc/39/96/17/169399617.db2.gz	WRPKWMADVWYYHP-MRVPVSSYSA-N	-1	1	230.308	0.744	10	0		BCAEMM
Nc1cc2[nH]ncc2c(S(=O)(=O)[O-])c1	ZINC000089196531	383943583	/nfs/dbraw/zinc/94/35/83/383943583.db2.gz	LCNSQSCAXDGABI-UHFFFAOYSA-N	-1	1	213.218	0.392	10	0		BCAEMM
Nc1ccc2c[nH]nc2c1S(=O)(=O)[O-]	ZINC000089197554	383943958	/nfs/dbraw/zinc/94/39/58/383943958.db2.gz	SSUYZKLWHAUBIW-UHFFFAOYSA-N	-1	1	213.218	0.392	10	0		BCAEMM
CS(=O)(=O)[N-]c1ccc2nc[nH]c2n1	ZINC000089202899	383944441	/nfs/dbraw/zinc/94/44/41/383944441.db2.gz	DOOCXEFAMLFXHN-UHFFFAOYSA-N	-1	1	212.234	0.329	10	0		BCAEMM
Nc1nc(Nc2ccccc2)[n-]c(=O)c1C=O	ZINC000072416230	384114509	/nfs/dbraw/zinc/11/45/09/384114509.db2.gz	ZUKOUOUDRHWHAJ-UHFFFAOYSA-N	-1	1	230.227	0.908	10	0		BCAEMM
CC(=O)c1cc(S(N)(=O)=O)ccc1[O-]	ZINC000095347568	384369431	/nfs/dbraw/zinc/36/94/31/384369431.db2.gz	DBHHXTYWDJYIIF-UHFFFAOYSA-N	-1	1	215.230	0.242	10	0		BCAEMM
O=c1[nH]c(=O)n(Cc2ccccc2)c([O-])c1F	ZINC000156843655	385290180	/nfs/dbraw/zinc/29/01/80/385290180.db2.gz	KFUIUZOPBRACGX-UHFFFAOYSA-N	-1	1	236.202	0.430	10	0		BCAEMM
C[C@@H]1NC(=O)CC[C@@H]1NC(=O)c1ncccc1[O-]	ZINC000282237261	385535808	/nfs/dbraw/zinc/53/58/08/385535808.db2.gz	ROQCTILJDJUMMR-YUMQZZPRSA-N	-1	1	249.270	0.184	10	0		BCAEMM
C[C@@H](NCc1n[nH]c(=O)[n-]1)[C@H]1CCCO1	ZINC000336751635	386010718	/nfs/dbraw/zinc/01/07/18/386010718.db2.gz	GNZJHOWDOGRKNG-RNFRBKRXSA-N	-1	1	212.253	0.167	10	0		BCAEMM
C[C@H]1CC[C@@H](O)CN1C(=O)c1cncc([O-])c1	ZINC000399209659	386454091	/nfs/dbraw/zinc/45/40/91/386454091.db2.gz	QFOPCPGVYMKUEH-WCBMZHEXSA-N	-1	1	236.271	0.773	10	0		BCAEMM
CCOC(=O)Cc1c(C)nc(N(C)C)[n-]c1=O	ZINC000536954806	387167772	/nfs/dbraw/zinc/16/77/72/387167772.db2.gz	QEXXUZFUOQXEQZ-UHFFFAOYSA-N	-1	1	239.275	0.662	10	0		BCAEMM
O=C([O-])[C@H]1C[C@H](NC(=O)C(F)(F)F)C1	ZINC000575493588	387264949	/nfs/dbraw/zinc/26/49/49/387264949.db2.gz	JHWLNWGEMAKUAO-JPYJGEKTSA-N	-1	1	211.139	0.528	10	0		BCAEMM
COC(=O)Cc1c([O-])cc(N)cc1[N+](=O)[O-]	ZINC000575640287	387838306	/nfs/dbraw/zinc/83/83/06/387838306.db2.gz	LODJAEVAFRVYDS-UHFFFAOYSA-N	-1	1	226.188	0.598	10	0		BCAEMM
CN1C(=O)NC(=O)C(=C([O-])c2ccccc2)C1=O	ZINC000103238336	388582309	/nfs/dbraw/zinc/58/23/09/388582309.db2.gz	WXFOCSQVQRJWKG-MRVPVSSYSA-N	-1	1	246.222	0.194	10	0		BCAEMM
COC(=O)c1cnc(N2CCCCC2)[n-]c1=O	ZINC000026444165	132292455	/nfs/dbraw/zinc/29/24/55/132292455.db2.gz	MRYLQGBQEOEFCT-UHFFFAOYSA-N	-1	1	237.259	0.547	10	0		BCAEMM
COC(=O)c1cc(=O)[n-]c(N2CCCCC2)n1	ZINC000002209833	132314959	/nfs/dbraw/zinc/31/49/59/132314959.db2.gz	SILYNBJRGZGQQZ-UHFFFAOYSA-N	-1	1	237.259	0.547	10	0		BCAEMM
Brc1cc(-c2nn[n-]n2)on1	ZINC000222950399	166096716	/nfs/dbraw/zinc/09/67/16/166096716.db2.gz	NDEMNTNFPWRMCV-UHFFFAOYSA-N	-1	1	215.998	0.617	10	0		BCAEMM
CC(C)[C@@H](C(=O)[O-])N1CCC[C@@H]1C(N)=O	ZINC000021509018	167344646	/nfs/dbraw/zinc/34/46/46/167344646.db2.gz	HYMUKWKOQBMYOL-SFYZADRCSA-N	-1	1	214.265	0.045	10	0		BCAEMM
CCOC(=O)Cn1c(N)n[n-]c1=S	ZINC000070881765	170236806	/nfs/dbraw/zinc/23/68/06/170236806.db2.gz	JWKPEDMLZCTEOC-UHFFFAOYSA-N	-1	1	202.239	0.086	10	0		BCAEMM
CCOC(=O)N[C@H](Cc1cnc[nH]1)C(=O)[O-]	ZINC000019273712	170243292	/nfs/dbraw/zinc/24/32/92/170243292.db2.gz	XSDVNQZWTFDETM-SSDOTTSWSA-N	-1	1	227.220	0.152	10	0		BCAEMM
CCOC(=O)c1cc(=O)[n-]c(SC)n1	ZINC000017301744	170290899	/nfs/dbraw/zinc/29/08/99/170290899.db2.gz	BQUMDABJUFPZGH-UHFFFAOYSA-N	-1	1	214.246	0.669	10	0		BCAEMM
CCOC(=O)c1cnc(N(C)C)[n-]c1=O	ZINC000017353575	170301614	/nfs/dbraw/zinc/30/16/14/170301614.db2.gz	QCIFTCNILVVFLO-UHFFFAOYSA-N	-1	1	211.221	0.013	10	0		BCAEMM
CCOC(=O)c1nc2c([n-]1)[nH]c(=S)[nH]c2=O	ZINC000040176452	170307933	/nfs/dbraw/zinc/30/79/33/170307933.db2.gz	AUIZVXBXUXZMOJ-UHFFFAOYSA-N	-1	1	240.244	0.898	10	0		BCAEMM
CC[C@@H]1C[C@H](C)C2(C1)C(=O)[N-]C(=O)NC2=O	ZINC000005923412	171125640	/nfs/dbraw/zinc/12/56/40/171125640.db2.gz	CLPHVPMJFDXEQG-NKWVEPMBSA-N	-1	1	224.260	0.795	10	0		BCAEMM
CC[C@H](C)NC(=O)[C@H](C)N[C@H](C(=O)[O-])C1CC1	ZINC000054522482	171334958	/nfs/dbraw/zinc/33/49/58/171334958.db2.gz	JIHRDINPDBKRMY-NRPADANISA-N	-1	1	242.319	0.742	10	0		BCAEMM
CCc1nn2c([nH]c(C)cc2=O)c1C(=O)[O-]	ZINC000073738048	172045868	/nfs/dbraw/zinc/04/58/68/172045868.db2.gz	OLQYKZLURMBHDE-UHFFFAOYSA-N	-1	1	221.216	0.592	10	0		BCAEMM
CN1CCc2[nH]c(=O)c(C(=O)[O-])cc2C1	ZINC000043404559	173167631	/nfs/dbraw/zinc/16/76/31/173167631.db2.gz	OSENVICBDRPGEK-UHFFFAOYSA-N	-1	1	208.217	0.061	10	0		BCAEMM
CNC(=O)[C@@H]1CCCCN1C/C=C/C(=O)[O-]	ZINC000051859785	173297630	/nfs/dbraw/zinc/29/76/30/173297630.db2.gz	OUKUZBKGELYYHL-DNQSNQRASA-N	-1	1	226.276	0.228	10	0		BCAEMM
CNC(=O)[C@H]1CCCCN1C/C=C/C(=O)[O-]	ZINC000051859787	173305875	/nfs/dbraw/zinc/30/58/75/173305875.db2.gz	OUKUZBKGELYYHL-OTQAPUNGSA-N	-1	1	226.276	0.228	10	0		BCAEMM
CNC(=O)c1cc2ccc([O-])cc2oc1=N	ZINC000067341934	173310118	/nfs/dbraw/zinc/31/01/18/173310118.db2.gz	AMOLOMOOLRBJMW-UHFFFAOYSA-N	-1	1	218.212	0.977	10	0		BCAEMM
C[N-]C(=S)SCC1=CCOC1=O	ZINC000071340448	173317263	/nfs/dbraw/zinc/31/72/63/173317263.db2.gz	HGUCLACKTXHJCX-UHFFFAOYSA-N	-1	1	203.288	0.707	10	0		BCAEMM
C[C@H](NCC(=O)N[C@@H](C)c1ccco1)C(=O)[O-]	ZINC000035388038	176832294	/nfs/dbraw/zinc/83/22/94/176832294.db2.gz	APDBXGCQGCLYLM-YUMQZZPRSA-N	-1	1	240.259	0.520	10	0		BCAEMM
C[C@H](NCC(=O)N[C@@H]1CCCC[C@@H]1C)C(=O)[O-]	ZINC000035388106	176832553	/nfs/dbraw/zinc/83/25/53/176832553.db2.gz	YWNRCEREEZDOQE-LPEHRKFASA-N	-1	1	242.319	0.744	10	0		BCAEMM
C[C@H](NCC(=O)N1CCC[C@H](C)C1)C(=O)[O-]	ZINC000035388529	177091701	/nfs/dbraw/zinc/09/17/01/177091701.db2.gz	XIRXMTXMAVPEJS-IUCAKERBSA-N	-1	1	228.292	0.308	10	0		BCAEMM
O=C(N[C@H]1COc2ccccc21)c1cnn[nH]1	ZINC000110448247	323118483	/nfs/dbraw/zinc/11/84/83/323118483.db2.gz	CYIBPACAEBPGQI-VIFPVBQESA-N	-1	1	230.227	0.668	10	0		BCAEMM
CCCC[N-]S(=O)(=O)c1ccc[nH]c1=O	ZINC000229007102	520693550	/nfs/dbraw/zinc/69/35/50/520693550.db2.gz	FNWSVOFEIJLMCF-UHFFFAOYSA-N	-1	1	230.289	0.453	10	0		BCAEMM
CCC/C(=C/[C@@H]([NH3+])C(=O)[O-])C[P@](=O)([O-])O	ZINC000005819308	560203218	/nfs/dbraw/zinc/20/32/18/560203218.db2.gz	ZEFQYTSQDVUMEU-FXXDRWHHSA-N	-1	1	237.192	0.303	10	0	in-vitro	BCAEMM
CC(C)(C)c1s[n-]c(=O)c1C[C@@H]([NH3+])C(=O)[O-]	ZINC000013760981	560220341	/nfs/dbraw/zinc/22/03/41/560220341.db2.gz	FHWOAQCPEFTDOQ-ZCFIWIBFSA-N	-1	1	244.316	0.688	10	0	in-vitro	BCAEMM
C=CCc1c([O-])n2nc(C)cc2[nH]c1=O	ZINC000386662356	582837187	/nfs/dbraw/zinc/83/71/87/582837187.db2.gz	MTKPEINVOYRAIL-ZETCQYMHSA-N	-1	1	205.217	0.976	10	0		BCAEMM
Cc1cnn(CC(=O)N[C@H](C)c2cc(=O)[nH][n-]2)c1	ZINC000898870612	584163534	/nfs/dbraw/zinc/16/35/34/584163534.db2.gz	WYEDEIIHHOHUMD-MRVPVSSYSA-N	-1	1	249.274	0.498	10	0		BCAEMM
COC(=O)c1n[n-]nc1-c1cc(C)on1	ZINC000261020513	585024313	/nfs/dbraw/zinc/02/43/13/585024313.db2.gz	ZTHHVXRFNIOMKX-UHFFFAOYSA-N	-1	1	208.177	0.555	10	0		BCAEMM
CO[C@H]1CCN(Cc2cn(C)nc2C(=O)[O-])C1	ZINC000756998957	586421884	/nfs/dbraw/zinc/42/18/84/586421884.db2.gz	BKHFSCAYFUJOGN-VIFPVBQESA-N	-1	1	239.275	0.339	10	0		BCAEMM
O=C(c1ccccn1)N1CCC[C@@H]1c1nn[n-]n1	ZINC000095183241	635433955	/nfs/dbraw/zinc/43/39/55/635433955.db2.gz	MQZKBEYGTDHZFB-SECBINFHSA-N	-1	1	244.258	0.572	10	0		BCAEMM
C[N-]S(=O)(=O)c1occc1-c1cnn(C)c1	ZINC000675054314	636368324	/nfs/dbraw/zinc/36/83/24/636368324.db2.gz	GCVSIOADMBPDBU-UHFFFAOYSA-N	-1	1	241.272	0.588	10	0		BCAEMM
CC[C@@H](C)C(=O)N1CCC[C@@H]1c1nn[n-]n1	ZINC000095259277	641597946	/nfs/dbraw/zinc/59/79/46/641597946.db2.gz	KMDBDBQHWXDKES-HTQZYQBOSA-N	-1	1	223.280	0.909	10	0		BCAEMM
COC[C@H](C)C(=O)[N-]OC[C@@H]1CCOC1	ZINC000189253151	641795359	/nfs/dbraw/zinc/79/53/59/641795359.db2.gz	PBXYZSZXODTCFI-DTWKUNHWSA-N	-1	1	217.265	0.353	10	0		BCAEMM
CC(C)c1nc(C(=O)[O-])c2n1CCNC2	ZINC000084326752	643658144	/nfs/dbraw/zinc/65/81/44/643658144.db2.gz	WEAWVUZCXMYFAA-UHFFFAOYSA-N	-1	1	209.249	0.808	10	0		BCAEMM
C[C@@H]1OCCC[C@@H]1C(=O)[N-]OC[C@H]1CCOC1	ZINC000248858946	644701357	/nfs/dbraw/zinc/70/13/57/644701357.db2.gz	ACVFREAMCIJDOK-DCAQKATOSA-N	-1	1	243.303	0.886	10	0		BCAEMM
CC(C)CC(=O)N1CCC[C@H]1c1nn[n-]n1	ZINC000095198781	644745713	/nfs/dbraw/zinc/74/57/13/644745713.db2.gz	CZLFSJTXNLKTSU-QMMMGPOBSA-N	-1	1	223.280	0.909	10	0		BCAEMM
CCC[C@H](N[C@H](C)C(=O)NC1CC1)C(=O)[O-]	ZINC000036840046	712499932	/nfs/dbraw/zinc/49/99/32/712499932.db2.gz	KJTFSHGUYUQTTL-APPZFPTMSA-N	-1	1	228.292	0.496	10	0		BCAEMM
CC(C)C(=O)C[N-]S(=O)(=O)c1ccns1	ZINC000717804603	712680202	/nfs/dbraw/zinc/68/02/02/712680202.db2.gz	PVDBXWRMDUGONN-UHFFFAOYSA-N	-1	1	248.329	0.647	10	0		BCAEMM
CCCOCC(=O)N1CCC[C@@H]1c1nn[n-]n1	ZINC000720629412	712859993	/nfs/dbraw/zinc/85/99/93/712859993.db2.gz	TZMIOROISLISIN-MRVPVSSYSA-N	-1	1	239.279	0.290	10	0		BCAEMM
C[C@@H]1C[C@@H]1C(=O)N1CCC[C@H]1c1nn[n-]n1	ZINC000720647707	712860575	/nfs/dbraw/zinc/86/05/75/712860575.db2.gz	CQHGEOSKDCGOSN-CSMHCCOUSA-N	-1	1	221.264	0.519	10	0		BCAEMM
CC=CC=CC(=O)N1CCC[C@H]1c1nn[n-]n1	ZINC000720653558	712861196	/nfs/dbraw/zinc/86/11/96/712861196.db2.gz	ICBYDZGNQPPUHD-NGZSRFJJSA-N	-1	1	233.275	0.996	10	0		BCAEMM
CCOC(=O)c1[n-]nnc1[C@H]1CCCO1	ZINC000685953507	538897715	/nfs/dbraw/zinc/89/77/15/538897715.db2.gz	LADATNMMXYQDFL-ZCFIWIBFSA-N	-1	1	211.221	0.833	10	0		BCAEMM
CCOC(=O)c1nn[n-]c1[C@H]1CCCO1	ZINC000685953507	538897716	/nfs/dbraw/zinc/89/77/16/538897716.db2.gz	LADATNMMXYQDFL-ZCFIWIBFSA-N	-1	1	211.221	0.833	10	0		BCAEMM
CCOC(=O)c1n[n-]nc1[C@H]1CCCO1	ZINC000685953507	538897717	/nfs/dbraw/zinc/89/77/17/538897717.db2.gz	LADATNMMXYQDFL-ZCFIWIBFSA-N	-1	1	211.221	0.833	10	0		BCAEMM
CCOC(=O)c1nn[n-]c1[C@H](F)OC	ZINC000685953981	538898431	/nfs/dbraw/zinc/89/84/31/538898431.db2.gz	RAMHCIURIATLDJ-ZCFIWIBFSA-N	-1	1	203.173	0.596	10	0		BCAEMM
CCOC(=O)c1n[n-]nc1[C@H](F)OC	ZINC000685953981	538898433	/nfs/dbraw/zinc/89/84/33/538898433.db2.gz	RAMHCIURIATLDJ-ZCFIWIBFSA-N	-1	1	203.173	0.596	10	0		BCAEMM
CCOC(=O)c1[n-]nnc1[C@@H]1NCCS1	ZINC000685955008	538899586	/nfs/dbraw/zinc/89/95/86/538899586.db2.gz	YFEFGJOCLCGSMB-SSDOTTSWSA-N	-1	1	228.277	0.316	10	0		BCAEMM
CCOC(=O)c1nn[n-]c1[C@@H]1NCCS1	ZINC000685955008	538899588	/nfs/dbraw/zinc/89/95/88/538899588.db2.gz	YFEFGJOCLCGSMB-SSDOTTSWSA-N	-1	1	228.277	0.316	10	0		BCAEMM
CCOC(=O)c1n[n-]nc1[C@@H]1NCCS1	ZINC000685955008	538899589	/nfs/dbraw/zinc/89/95/89/538899589.db2.gz	YFEFGJOCLCGSMB-SSDOTTSWSA-N	-1	1	228.277	0.316	10	0		BCAEMM
CCOC(=O)c1[n-]nnc1[C@@H]1CSCN1	ZINC000685952522	538896348	/nfs/dbraw/zinc/89/63/48/538896348.db2.gz	AEIXMLBSGKOWQA-YFKPBYRVSA-N	-1	1	228.277	0.316	10	0		BCAEMM
CCOC(=O)c1nn[n-]c1[C@@H]1CSCN1	ZINC000685952522	538896349	/nfs/dbraw/zinc/89/63/49/538896349.db2.gz	AEIXMLBSGKOWQA-YFKPBYRVSA-N	-1	1	228.277	0.316	10	0		BCAEMM
CCOC(=O)c1n[n-]nc1[C@@H]1CSCN1	ZINC000685952522	538896350	/nfs/dbraw/zinc/89/63/50/538896350.db2.gz	AEIXMLBSGKOWQA-YFKPBYRVSA-N	-1	1	228.277	0.316	10	0		BCAEMM
O=C([O-])c1n[n-]nc1C12CCC(CC1)[NH2+]2	ZINC000685952807	538896740	/nfs/dbraw/zinc/89/67/40/538896740.db2.gz	CQGIZMSUGQMTLG-UHFFFAOYSA-N	-1	1	208.221	0.244	10	0		BCAEMM
Cc1cc(CNCc2nnn[n-]2)c(C)n1C	ZINC000052790525	178029737	/nfs/dbraw/zinc/02/97/37/178029737.db2.gz	JWGMQVHVOZTJOA-UHFFFAOYSA-N	-1	1	220.280	0.445	10	0		BCAEMM
Cc1cc(CSc2nc(N)cc(=O)[n-]2)on1	ZINC000020361771	178053191	/nfs/dbraw/zinc/05/31/91/178053191.db2.gz	CIKBPBFFILQWFD-UHFFFAOYSA-N	-1	1	238.272	0.941	10	0		BCAEMM
Cc1ccc(C(=O)N(C)Cc2nn[n-]n2)cc1	ZINC000078914752	178380294	/nfs/dbraw/zinc/38/02/94/178380294.db2.gz	NSJAXAGGILUZJR-UHFFFAOYSA-N	-1	1	231.259	0.780	10	0		BCAEMM
N[C@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)[O-]	ZINC000002046245	342715313	/nfs/dbraw/zinc/71/53/13/342715313.db2.gz	JAZXSGCVIRTMDJ-MRVPVSSYSA-N	-1	1	247.247	0.011	10	0		BCAEMM
CC(C)[C@]1(C(=O)[O-])C[C@@H]1C(=O)N1CCNCC1	ZINC000725267285	539027025	/nfs/dbraw/zinc/02/70/25/539027025.db2.gz	XVVIJKPZVXBDLV-BXKDBHETSA-N	-1	1	240.303	0.165	10	0		BCAEMM
Nc1nc(-c2cccnc2)nc(=S)[n-]1	ZINC000105976059	539016535	/nfs/dbraw/zinc/01/65/35/539016535.db2.gz	WAXCYHMUEQWFPH-UHFFFAOYSA-N	-1	1	205.246	0.805	10	0		BCAEMM
CCn1ccc([N-]S(=O)(=O)CC)n1	ZINC000014248957	342878705	/nfs/dbraw/zinc/87/87/05/342878705.db2.gz	LRDFLYUWJNTHTE-UHFFFAOYSA-N	-1	1	203.267	0.665	10	0		BCAEMM
C[C@@H](CN1CCN(CC(F)F)CC1)C(=O)[O-]	ZINC000575441654	398328341	/nfs/dbraw/zinc/32/83/41/398328341.db2.gz	XRUBAMOCXNATTM-QMMMGPOBSA-N	-1	1	236.262	0.590	10	0		BCAEMM
Cn1nnc(Br)c1C=N[O-]	ZINC000378964554	346887090	/nfs/dbraw/zinc/88/70/90/346887090.db2.gz	SBJLSUMUDKKTEN-UHFFFAOYSA-N	-1	1	205.015	0.386	10	0		BCAEMM
C[C@H](N)C(=O)c1ccc(CC(=O)[O-])cc1	ZINC000039135059	343386173	/nfs/dbraw/zinc/38/61/73/343386173.db2.gz	PGBZDKRRUJWCPJ-ZETCQYMHSA-N	-1	1	207.229	0.844	10	0		BCAEMM
O=C([O-])N1CCNC[C@H]1c1ccncc1	ZINC000165168594	343550928	/nfs/dbraw/zinc/55/09/28/343550928.db2.gz	GWUYATRBDKWHGE-VIFPVBQESA-N	-1	1	207.233	0.706	10	0		BCAEMM
Cc1nc2nc(=O)c(C3CC3)c(N)n2[n-]1	ZINC000711994907	537783718	/nfs/dbraw/zinc/78/37/18/537783718.db2.gz	PPWAKPCTTZTSOC-UHFFFAOYSA-N	-1	1	205.221	0.186	10	0		BCAEMM
COC(=O)c1c[n-]c(-c2ncccn2)n1	ZINC000051170864	346975817	/nfs/dbraw/zinc/97/58/17/346975817.db2.gz	QGNIDOPGWGDOKH-UHFFFAOYSA-N	-1	1	204.189	0.653	10	0		BCAEMM
N[C@@H](Cc1c[nH]cn1)c1ocnc1C(=O)[O-]	ZINC000616569301	344170054	/nfs/dbraw/zinc/17/00/54/344170054.db2.gz	SMBWROFMFKEWGC-LURJTMIESA-N	-1	1	222.204	0.338	10	0		BCAEMM
CCn1cc(-c2c[n-]c(=NN)nn2)cn1	ZINC000220028431	344308986	/nfs/dbraw/zinc/30/89/86/344308986.db2.gz	IOBJTIOTDMOIRF-UHFFFAOYSA-N	-1	1	205.225	0.041	10	0		BCAEMM
C[C@@H](C(N)=O)N1CCCC[C@@]1(C)C(=O)[O-]	ZINC000127615989	344577745	/nfs/dbraw/zinc/57/77/45/344577745.db2.gz	MVQCVKMOPGHQRU-XVKPBYJWSA-N	-1	1	214.265	0.189	10	0		BCAEMM
C[C@@H]1C[C@@H](n2nn[n-]c2=S)CCN1C	ZINC000158718598	344731285	/nfs/dbraw/zinc/73/12/85/344731285.db2.gz	XRSCNRLHPJIHRH-RQJHMYQMSA-N	-1	1	213.310	0.617	10	0		BCAEMM
COC(=O)c1cnc([C@H]2CCCO2)[n-]c1=O	ZINC000300797850	537860949	/nfs/dbraw/zinc/86/09/49/537860949.db2.gz	ANNGVLVZHSUOOA-SSDOTTSWSA-N	-1	1	224.216	0.820	10	0		BCAEMM
CCOCc1ncc(C(=O)OC)c(=O)[n-]1	ZINC000300799001	537861051	/nfs/dbraw/zinc/86/10/51/537861051.db2.gz	ARMAGPDWCUUPHY-UHFFFAOYSA-N	-1	1	212.205	0.505	10	0		BCAEMM
COC(=O)c1cnc(C[C@@H](C)OC)[n-]c1=O	ZINC000300981755	537874691	/nfs/dbraw/zinc/87/46/91/537874691.db2.gz	YSNOMXKQBFQLFV-ZCFIWIBFSA-N	-1	1	226.232	0.546	10	0		BCAEMM
O=C([N-][C@H]1CC[C@H](O)CC1)C(F)(F)F	ZINC000244306152	345199253	/nfs/dbraw/zinc/19/92/53/345199253.db2.gz	XAQFCJSHOHFVRF-IZLXSQMJSA-N	-1	1	211.183	0.968	10	0		BCAEMM
C[N@H+]1CCN(Cc2ccccc2)[C@@H](C(=O)[O-])C1	ZINC000248105080	345342967	/nfs/dbraw/zinc/34/29/67/345342967.db2.gz	FTVNPPFPFGCFMD-GFCCVEGCSA-N	-1	1	234.299	0.887	10	0		BCAEMM
CN1CCN(Cc2ccccc2)[C@@H](C(=O)[O-])C1	ZINC000248105080	345342969	/nfs/dbraw/zinc/34/29/69/345342969.db2.gz	FTVNPPFPFGCFMD-GFCCVEGCSA-N	-1	1	234.299	0.887	10	0		BCAEMM
O=C([O-])C[N@H+]1CC[C@@]2(CC[C@@H](C(=O)[O-])C2)C1	ZINC000095078198	346022019	/nfs/dbraw/zinc/02/20/19/346022019.db2.gz	DCLIAMKPPYMOSM-LDYMZIIASA-N	-1	1	227.260	0.648	10	0		BCAEMM
Cc1cccc(-n2nc(C(=O)[O-])[nH]c2=O)c1	ZINC000020272466	179001226	/nfs/dbraw/zinc/00/12/26/179001226.db2.gz	JNFJBBWSOGMRFF-UHFFFAOYSA-N	-1	1	219.200	0.980	10	0		BCAEMM
CCc1nc(=NN2CCOCC2)s[n-]1	ZINC000148489870	346234577	/nfs/dbraw/zinc/23/45/77/346234577.db2.gz	FKZQSFZDRWWATB-UHFFFAOYSA-N	-1	1	214.294	0.760	10	0		BCAEMM
Nn1c(=S)[n-]nc1[C@H]1CCCOC1	ZINC000062238349	346225366	/nfs/dbraw/zinc/22/53/66/346225366.db2.gz	PCBYPSSQHJNCKU-YFKPBYRVSA-N	-1	1	200.267	0.548	10	0		BCAEMM
O=C([N-]C[C@H]1CC[C@@H](O)C1)C(F)(F)F	ZINC000236539062	346247851	/nfs/dbraw/zinc/24/78/51/346247851.db2.gz	ODDHZBZZTGFOFJ-NTSWFWBYSA-N	-1	1	211.183	0.826	10	0		BCAEMM
Cc1n[n-]c(=S)n1C[C@H]1COCCO1	ZINC000038062720	350301261	/nfs/dbraw/zinc/30/12/61/350301261.db2.gz	SGLGIOOSKVXVNY-ZETCQYMHSA-N	-1	1	215.278	0.665	10	0		BCAEMM
CNC(=S)NN=c1[n-]ncc(N)c1Cl	ZINC000306698204	350847115	/nfs/dbraw/zinc/84/71/15/350847115.db2.gz	CZJUUKNOMLRGED-UHFFFAOYSA-N	-1	1	232.700	0.133	10	0		BCAEMM
Cc1ncc(C(=O)[O-])n1Cc1cn[nH]c1	ZINC000306723724	350890190	/nfs/dbraw/zinc/89/01/90/350890190.db2.gz	HLKFGULPNDULAQ-UHFFFAOYSA-N	-1	1	206.205	0.661	10	0		BCAEMM
C[C@H]1CSC[C@@H]1n1c(=O)[n-][nH]c1=S	ZINC000306850256	351160006	/nfs/dbraw/zinc/16/00/06/351160006.db2.gz	ONMAQLDCWNJMNN-WHFBIAKZSA-N	-1	1	217.319	0.784	10	0		BCAEMM
CC(C)(C)N1CCOCC[C@@H]1c1nnn[n-]1	ZINC000616655501	351192973	/nfs/dbraw/zinc/19/29/73/351192973.db2.gz	FGMDZSXHMYQVJJ-MRVPVSSYSA-N	-1	1	225.296	0.762	10	0		BCAEMM
O=C([O-])N1CCCOC[C@H]1c1c[nH]nn1	ZINC000616647159	351164724	/nfs/dbraw/zinc/16/47/24/351164724.db2.gz	LJKMSZKFDTYVSI-ZETCQYMHSA-N	-1	1	212.209	0.246	10	0		BCAEMM
CC(=O)N1CCNC[C@@H]1c1ccccc1C(=O)[O-]	ZINC000616638756	351140015	/nfs/dbraw/zinc/14/00/15/351140015.db2.gz	GZFWXYXYFNBLOM-GFCCVEGCSA-N	-1	1	248.282	0.878	10	0		BCAEMM
CC(=O)N1C[C@H](c2nn[n-]n2)Cc2ccccc21	ZINC000616673776	351237957	/nfs/dbraw/zinc/23/79/57/351237957.db2.gz	SCGYSAJNEOGTOE-SNVBAGLBSA-N	-1	1	243.270	0.893	10	0		BCAEMM
O=C([O-])N1CCc2ccccc2[C@@H]1c1nn[nH]n1	ZINC000616677263	351243761	/nfs/dbraw/zinc/24/37/61/351243761.db2.gz	IUKRIQPTLBKCOW-SECBINFHSA-N	-1	1	245.242	0.825	10	0		BCAEMM
CN1C[C@@H](c2nn[n-]n2)Nc2ccccc21	ZINC000616680827	351248442	/nfs/dbraw/zinc/24/84/42/351248442.db2.gz	HWBRBORUKWCIDL-QMMMGPOBSA-N	-1	1	216.248	0.803	10	0		BCAEMM
O=C([O-])N1C[C@@H](c2nn[nH]n2)Nc2ccccc21	ZINC000616686840	351257066	/nfs/dbraw/zinc/25/70/66/351257066.db2.gz	SBYZGXSJMOIFRM-ZETCQYMHSA-N	-1	1	246.230	0.851	10	0		BCAEMM
CCOC(=O)N1CCO[C@H](c2nn[n-]n2)CC1	ZINC000616686999	351258609	/nfs/dbraw/zinc/25/86/09/351258609.db2.gz	PHHRDUJNLMDOMH-ZETCQYMHSA-N	-1	1	241.251	0.120	10	0		BCAEMM
CCOC(=O)N1CCOCC[C@H]1c1nn[n-]n1	ZINC000616659497	351207315	/nfs/dbraw/zinc/20/73/15/351207315.db2.gz	TXEZHCIRMZXTJR-ZETCQYMHSA-N	-1	1	241.251	0.120	10	0		BCAEMM
O=C([O-])N1CCO[C@@H](c2c[nH]nn2)CC1	ZINC000616663619	351215984	/nfs/dbraw/zinc/21/59/84/351215984.db2.gz	UWIRUTAXXBCTEN-SSDOTTSWSA-N	-1	1	212.209	0.246	10	0		BCAEMM
NN=c1[nH]cc(C(=O)[O-])cc1Br	ZINC000307616391	352674419	/nfs/dbraw/zinc/67/44/19/352674419.db2.gz	SDPJKKZCWGZNTD-UHFFFAOYSA-N	-1	1	232.037	0.828	10	0		BCAEMM
COC(=O)c1cnc(-c2cn[nH]c2)[n-]c1=O	ZINC000309206471	538110930	/nfs/dbraw/zinc/11/09/30/538110930.db2.gz	GGKSQSIBNUDZBV-UHFFFAOYSA-N	-1	1	220.188	0.359	10	0		BCAEMM
N[C@H](c1nn[n-]n1)c1ncc(Cl)s1	ZINC000223210282	353353684	/nfs/dbraw/zinc/35/36/84/353353684.db2.gz	MSPMGYSANAMLCX-GSVOUGTGSA-N	-1	1	216.657	0.358	10	0		BCAEMM
Nc1nc(-c2csnn2)nc(=S)[n-]1	ZINC000137324763	355770399	/nfs/dbraw/zinc/77/03/99/355770399.db2.gz	WGLCZEUVUXHLSF-UHFFFAOYSA-N	-1	1	212.263	0.261	10	0		BCAEMM
CSC[C@H]1NCCCn2c(C(=O)[O-])nnc21	ZINC000675068772	538496947	/nfs/dbraw/zinc/49/69/47/538496947.db2.gz	SPRKSIBNVPMCRA-ZCFIWIBFSA-N	-1	1	242.304	0.374	10	0		BCAEMM
CC1(C)NCCCn2c(C(=O)[O-])nnc21	ZINC000675068957	538497754	/nfs/dbraw/zinc/49/77/54/538497754.db2.gz	UIQNGYCYLQLZLB-UHFFFAOYSA-N	-1	1	210.237	0.205	10	0		BCAEMM
CC(C)(C)c1cc2nc(=O)[n-]c(=O)n2[nH]1	ZINC000096928214	538616548	/nfs/dbraw/zinc/61/65/48/538616548.db2.gz	FEUDWTPTJKQMGM-UHFFFAOYSA-N	-1	1	208.221	0.421	10	0		BCAEMM
CCOC(=O)c1n[n-]nc1-c1n[nH]nc1C	ZINC000260933745	538854166	/nfs/dbraw/zinc/85/41/66/538854166.db2.gz	HQRPOPRNSPSESV-UHFFFAOYSA-N	-1	1	222.208	0.075	10	0		BCAEMM
COCc1nn[n-]c1C(=O)OC(C)(C)C	ZINC000685952941	538895020	/nfs/dbraw/zinc/89/50/20/538895020.db2.gz	HPOQYAXOQXKDFY-UHFFFAOYSA-N	-1	1	213.237	0.906	10	0		BCAEMM
COCc1[n-]nnc1C(=O)OC(C)(C)C	ZINC000685952941	538895021	/nfs/dbraw/zinc/89/50/21/538895021.db2.gz	HPOQYAXOQXKDFY-UHFFFAOYSA-N	-1	1	213.237	0.906	10	0		BCAEMM
COCc1n[n-]nc1C(=O)OC(C)(C)C	ZINC000685952941	538895023	/nfs/dbraw/zinc/89/50/23/538895023.db2.gz	HPOQYAXOQXKDFY-UHFFFAOYSA-N	-1	1	213.237	0.906	10	0		BCAEMM
N[C@H](C(=O)c1ccccc1)[P@@](=O)([O-])O	ZINC000306303233	359578886	/nfs/dbraw/zinc/57/88/86/359578886.db2.gz	HIBMUYSHKNLUKU-QMMMGPOBSA-N	-1	1	215.145	0.332	10	0		BCAEMM
N[C@H](C(=O)c1ccccc1)[P@](=O)([O-])O	ZINC000306303233	359578890	/nfs/dbraw/zinc/57/88/90/359578890.db2.gz	HIBMUYSHKNLUKU-QMMMGPOBSA-N	-1	1	215.145	0.332	10	0		BCAEMM
N[C@@H](C(=O)c1ccccc1)[P@@](=O)([O-])O	ZINC000306303232	359579009	/nfs/dbraw/zinc/57/90/09/359579009.db2.gz	HIBMUYSHKNLUKU-MRVPVSSYSA-N	-1	1	215.145	0.332	10	0		BCAEMM
N[C@@H](C(=O)c1ccccc1)[P@](=O)([O-])O	ZINC000306303232	359579014	/nfs/dbraw/zinc/57/90/14/359579014.db2.gz	HIBMUYSHKNLUKU-MRVPVSSYSA-N	-1	1	215.145	0.332	10	0		BCAEMM
CN1CC[C@H]([N-]C(=O)C(F)(F)Cl)C1	ZINC000306498354	360236737	/nfs/dbraw/zinc/23/67/37/360236737.db2.gz	DXSALJZTUOQBDI-YFKPBYRVSA-N	-1	1	212.627	0.638	10	0		BCAEMM
O=C([O-])[C@@H]1CS[C@@H]([C@H]2CCSC2)N1	ZINC000224605991	360522090	/nfs/dbraw/zinc/52/20/90/360522090.db2.gz	AXGHVULUVHTPRB-ACZMJKKPSA-N	-1	1	219.331	0.855	10	0		BCAEMM
O=C1CN[C@@H](c2ccc([O-])c(Cl)c2)N1	ZINC000306612660	360883457	/nfs/dbraw/zinc/88/34/57/360883457.db2.gz	JBRXNRVWFLALLA-SECBINFHSA-N	-1	1	212.636	0.764	10	0		BCAEMM
CCCc1[nH]c(=O)[n-]c(=O)c1Br	ZINC000039630854	361022536	/nfs/dbraw/zinc/02/25/36/361022536.db2.gz	IVGPFRQYDLZFEF-UHFFFAOYSA-N	-1	1	233.065	0.778	10	0		BCAEMM
NS(=O)(=O)c1ccc(-n2[n-]ccc2=O)cc1	ZINC000039951981	181532172	/nfs/dbraw/zinc/53/21/72/181532172.db2.gz	SIZINQKRZSIHPM-UHFFFAOYSA-N	-1	1	239.256	0.057	10	0		BCAEMM
CN1CCC[C@]2(C1)N[C@H](C(=O)[O-])CS2	ZINC000134329577	372195946	/nfs/dbraw/zinc/19/59/46/372195946.db2.gz	QWBHNJWJAPJEOV-CBAPKCEASA-N	-1	1	216.306	0.198	10	0		BCAEMM
O=C(Cc1nn[n-]n1)c1ccccc1O	ZINC000004592716	182061387	/nfs/dbraw/zinc/06/13/87/182061387.db2.gz	HISCKGVWGVRJTC-UHFFFAOYSA-N	-1	1	204.189	0.331	10	0		BCAEMM
Nc1n[n-]c(=S)n1Cc1cccnc1	ZINC000070880809	374220914	/nfs/dbraw/zinc/22/09/14/374220914.db2.gz	LNNFBEQXGKKHHS-UHFFFAOYSA-N	-1	1	207.262	0.966	10	0		BCAEMM
COC(=O)[C@H](C)n1c(N)n[n-]c1=S	ZINC000070883058	374224353	/nfs/dbraw/zinc/22/43/53/374224353.db2.gz	BCWOOZAYABJIKN-VKHMYHEASA-N	-1	1	202.239	0.257	10	0		BCAEMM
O=C(N[C@H]1C[C@H]2CC[C@@H]1O2)c1ncccc1[O-]	ZINC000158814470	182344301	/nfs/dbraw/zinc/34/43/01/182344301.db2.gz	BPSAYPXRRMVGNH-WEDXCCLWSA-N	-1	1	234.255	0.837	10	0		BCAEMM
O=c1ccn(Cc2nn[n-]n2)c2c(F)cccc12	ZINC000040175738	183004055	/nfs/dbraw/zinc/00/40/55/183004055.db2.gz	XGFYIBSUAUDHQJ-UHFFFAOYSA-N	-1	1	245.217	0.702	10	0		BCAEMM
O=c1nc2ccccc2c2[n-]c(CO)nn21	ZINC000013860988	183170861	/nfs/dbraw/zinc/17/08/61/183170861.db2.gz	UEYCUZXLBXHUKR-UHFFFAOYSA-N	-1	1	216.200	0.475	10	0		BCAEMM
CCC[C@@H](NCC(=O)N(C)C1CC1)C(=O)[O-]	ZINC000049306361	169399460	/nfs/dbraw/zinc/39/94/60/169399460.db2.gz	WCMQGLHPGMGBBB-SECBINFHSA-N	-1	1	228.292	0.450	10	0		BCAEMM
CS(=O)(=O)c1nc2c(cccc2C(N)=O)[n-]1	ZINC000036427514	383900903	/nfs/dbraw/zinc/90/09/03/383900903.db2.gz	ZSPWUSMELYIJQB-UHFFFAOYSA-N	-1	1	239.256	0.065	10	0		BCAEMM
O=S(=O)(c1nc[n-]n1)c1cnc2ccccn21	ZINC000089201187	383944773	/nfs/dbraw/zinc/94/47/73/383944773.db2.gz	RSMGGXYUFOVDJZ-UHFFFAOYSA-N	-1	1	249.255	0.285	10	0		BCAEMM
O=C([O-])Cc1[nH]c(Nc2ccccc2)nc1O	ZINC000072416560	384117097	/nfs/dbraw/zinc/11/70/97/384117097.db2.gz	UBFXQDPEFMWFBT-MRVPVSSYSA-N	-1	1	233.227	0.428	10	0		BCAEMM
C[S@](=O)c1nc(Br)n[n-]1	ZINC000227149941	384280447	/nfs/dbraw/zinc/28/04/47/384280447.db2.gz	IGZVOBREYRIZLJ-VIFPVBQESA-N	-1	1	210.056	0.305	10	0		BCAEMM
C[S@](=O)c1n[n-]c(Br)n1	ZINC000227149941	384280451	/nfs/dbraw/zinc/28/04/51/384280451.db2.gz	IGZVOBREYRIZLJ-VIFPVBQESA-N	-1	1	210.056	0.305	10	0		BCAEMM
NS(=O)(=O)c1ccc([S-])c(F)c1O	ZINC000575706518	384799667	/nfs/dbraw/zinc/79/96/67/384799667.db2.gz	YFBSYNDURJFXGX-UHFFFAOYSA-N	-1	1	223.250	0.467	10	0		BCAEMM
Cc1c([O-])[nH]c(=O)n(Cc2ccccc2)c1=O	ZINC000156844070	385289542	/nfs/dbraw/zinc/28/95/42/385289542.db2.gz	MDUZFUXPNNBKDP-UHFFFAOYSA-N	-1	1	232.239	0.599	10	0		BCAEMM
C[C@@H](NCc1n[nH]c(=O)[n-]1)[C@@H]1CCCO1	ZINC000336751636	386010888	/nfs/dbraw/zinc/01/08/88/386010888.db2.gz	GNZJHOWDOGRKNG-RQJHMYQMSA-N	-1	1	212.253	0.167	10	0		BCAEMM
CC[C@H](NC(=O)c1cc(F)ccc1[O-])C(N)=O	ZINC000292743465	386958106	/nfs/dbraw/zinc/95/81/06/386958106.db2.gz	HCCSHONHDXWULC-QMMMGPOBSA-N	-1	1	240.234	0.525	10	0		BCAEMM
COC(=O)Cc1c(C)nc(N(C)C)[n-]c1=O	ZINC000536952943	387165570	/nfs/dbraw/zinc/16/55/70/387165570.db2.gz	FPFGHDFNFOHIIS-UHFFFAOYSA-N	-1	1	225.248	0.272	10	0		BCAEMM
O=C(c1cncc([O-])c1)N1CC[C@@H](CCO)C1	ZINC000127487414	387716527	/nfs/dbraw/zinc/71/65/27/387716527.db2.gz	SFIOEWJQJXIQLF-VIFPVBQESA-N	-1	1	236.271	0.632	10	0		BCAEMM
O=S1(=O)CCC[C@@H]1c1n[n-]c(=S)[nH]1	ZINC000575468571	388840291	/nfs/dbraw/zinc/84/02/91/388840291.db2.gz	XYHSTGHOEYWFNA-SCSAIBSYSA-N	-1	1	219.291	0.343	10	0		BCAEMM
NC(=O)[C@@H](O)c1cccc([O-])c1Cl	ZINC000307298293	398065206	/nfs/dbraw/zinc/06/52/06/398065206.db2.gz	QOJJJOWISAFSNH-ZETCQYMHSA-N	-1	1	201.609	0.564	10	0		BCAEMM
COC(=O)c1c(=O)[n-]c(C)nc1SC	ZINC000017111469	173845337	/nfs/dbraw/zinc/84/53/37/173845337.db2.gz	GLTWUHHYZUCPSW-UHFFFAOYSA-N	-1	1	214.246	0.587	10	0		BCAEMM
CC(C)Oc1cccc(S(N)(=O)=O)c1[O-]	ZINC000095710805	167309038	/nfs/dbraw/zinc/30/90/38/167309038.db2.gz	GDOVDCNPYAJIRX-UHFFFAOYSA-N	-1	1	231.273	0.827	10	0		BCAEMM
CCOC(=O)Cc1cncc([O-])c1C=O	ZINC000095773913	170235814	/nfs/dbraw/zinc/23/58/14/170235814.db2.gz	COSFRKXPTGEYKJ-UHFFFAOYSA-N	-1	1	209.201	0.705	10	0		BCAEMM
CCc1cc(=O)n(-c2ccc(N)nc2)[n-]1	ZINC000584880270	411896909	/nfs/dbraw/zinc/89/69/09/411896909.db2.gz	KPOIVXWUVAAWDC-UHFFFAOYSA-N	-1	1	204.233	1.167	10	0		BCAEMM
CC[C@@H]1CN(C(=O)N(C)CC(=O)[O-])CCN1C	ZINC000104349883	171065882	/nfs/dbraw/zinc/06/58/82/171065882.db2.gz	WPZMNPAGCJFBLU-SECBINFHSA-N	-1	1	243.307	0.149	10	0		BCAEMM
CC[C@H](C(=O)[O-])N1CCCC[C@@H]1C(N)=O	ZINC000042405414	171236148	/nfs/dbraw/zinc/23/61/48/171236148.db2.gz	BHCJUINDCJBXDG-HTQZYQBOSA-N	-1	1	214.265	0.189	10	0		BCAEMM
CC[C@H]1C[C@@H](C)C2(C1)C(=O)[N-]C(=O)NC2=O	ZINC000005954518	171675489	/nfs/dbraw/zinc/67/54/89/171675489.db2.gz	CLPHVPMJFDXEQG-RQJHMYQMSA-N	-1	1	224.260	0.795	10	0		BCAEMM
CN(C(=O)CN(CCC(=O)[O-])C1CC1)C1CC1	ZINC000049306370	172307331	/nfs/dbraw/zinc/30/73/31/172307331.db2.gz	DSIINGZJFAAYEJ-UHFFFAOYSA-N	-1	1	240.303	0.546	10	0		BCAEMM
CN(C)C(=O)c1cccc([O-])c1C(N)=O	ZINC000095711634	172391231	/nfs/dbraw/zinc/39/12/31/172391231.db2.gz	CSJOVROTBQIYRN-UHFFFAOYSA-N	-1	1	208.217	0.193	10	0		BCAEMM
COCC(=O)c1c(O)cc([O-])cc1OC	ZINC000075621138	174063321	/nfs/dbraw/zinc/06/33/21/174063321.db2.gz	PCLWAMGLJGNZCF-UHFFFAOYSA-N	-1	1	212.201	0.936	10	0		BCAEMM
C[C@@H](N[C@H](C(=O)[O-])C1CC1)C(=O)NC(C)(C)C	ZINC000054522436	175919255	/nfs/dbraw/zinc/91/92/55/175919255.db2.gz	BLJUMSDHXVDJNK-APPZFPTMSA-N	-1	1	242.319	0.742	10	0		BCAEMM
C[C@@H]1CCCCN1C(=O)CNCC(=O)[O-]	ZINC000035385426	176067033	/nfs/dbraw/zinc/06/70/33/176067033.db2.gz	VJUSNVAXMCIPPP-MRVPVSSYSA-N	-1	1	214.265	0.062	10	0		BCAEMM
O=C([O-])c1nn(-c2ccncn2)cc1O	ZINC000074188006	566276236	/nfs/dbraw/zinc/27/62/36/566276236.db2.gz	OOAYEURDGTVDPO-UHFFFAOYSA-N	-1	1	206.161	0.066	10	0		BCAEMM
CO[C@H](C)C(=O)N[C@@H](C)c1cc(=O)[nH][n-]1	ZINC000898867668	584162255	/nfs/dbraw/zinc/16/22/55/584162255.db2.gz	BQUKYZNEPHHEGA-NTSWFWBYSA-N	-1	1	213.237	0.327	10	0		BCAEMM
COCCC(=O)N[C@@H](C)c1cc(=O)[nH][n-]1	ZINC000898869988	584163294	/nfs/dbraw/zinc/16/32/94/584163294.db2.gz	RRZAGKWCKVLBFW-LURJTMIESA-N	-1	1	213.237	0.329	10	0		BCAEMM
Cc1ncoc1-c1nc(N)[n-]c(=S)n1	ZINC000137329654	585025210	/nfs/dbraw/zinc/02/52/10/585025210.db2.gz	YRLXDOGSJXUMPE-UHFFFAOYSA-N	-1	1	209.234	0.706	10	0		BCAEMM
CN1CCc2cc(NCc3nn[n-]n3)ccc21	ZINC000757134219	586426905	/nfs/dbraw/zinc/42/69/05/586426905.db2.gz	WSTJWASWVYDWCE-UHFFFAOYSA-N	-1	1	230.275	0.804	10	0		BCAEMM
O=C([N-]OCc1ccccc1)[C@H]1CNC(=O)C1	ZINC000110358233	588653852	/nfs/dbraw/zinc/65/38/52/588653852.db2.gz	IHIPGZODIOEHTO-SNVBAGLBSA-N	-1	1	234.255	0.371	10	0		BCAEMM
O=C([N-]C[C@H]1CCC[C@H]1O)C(F)(F)F	ZINC000084227191	631437541	/nfs/dbraw/zinc/43/75/41/631437541.db2.gz	BQIQXKBXRAQTQG-PHDIDXHHSA-N	-1	1	211.183	0.826	10	0		BCAEMM
C[C@H](NC(=O)C1=COCCO1)c1cc(=O)[nH][n-]1	ZINC000898866401	637059312	/nfs/dbraw/zinc/05/93/12/637059312.db2.gz	FXOOPNJWZHNVRA-LURJTMIESA-N	-1	1	239.231	0.181	10	0		BCAEMM
C[C@H](O)[C@H](C)NC(=O)c1cncc([O-])c1	ZINC000346471298	637145146	/nfs/dbraw/zinc/14/51/46/637145146.db2.gz	QYXLVFGZWKCHAX-BQBZGAKWSA-N	-1	1	210.233	0.286	10	0		BCAEMM
C[C@@H](O)[C@H](C)NC(=O)c1cncc([O-])c1	ZINC000346471301	637145216	/nfs/dbraw/zinc/14/52/16/637145216.db2.gz	QYXLVFGZWKCHAX-NKWVEPMBSA-N	-1	1	210.233	0.286	10	0		BCAEMM
COC1CC(NC(=O)c2ncccc2[O-])C1	ZINC000230725627	641090683	/nfs/dbraw/zinc/09/06/83/641090683.db2.gz	MZXVVQQZVKKNNR-UHFFFAOYSA-N	-1	1	222.244	0.694	10	0		BCAEMM
CSCCC(=O)N1CCC[C@@H]1c1nn[n-]n1	ZINC000095307459	641597853	/nfs/dbraw/zinc/59/78/53/641597853.db2.gz	UFUNTABTHZKGDW-SSDOTTSWSA-N	-1	1	241.320	0.616	10	0		BCAEMM
C[C@@H](C(N)=O)N(C)C(=O)c1cc(F)ccc1[O-]	ZINC000711062682	712277579	/nfs/dbraw/zinc/27/75/79/712277579.db2.gz	PNTZLSUJJYQESL-LURJTMIESA-N	-1	1	240.234	0.477	10	0		BCAEMM
CCC[C@@H](N[C@H](C)C(=O)NCC(C)C)C(=O)[O-]	ZINC000036839987	712499659	/nfs/dbraw/zinc/49/96/59/712499659.db2.gz	RMPNVVPMYZSSQC-NXEZZACHSA-N	-1	1	244.335	0.990	10	0		BCAEMM
CCC[C@H](N[C@@H](C)C(=O)NCC(C)C)C(=O)[O-]	ZINC000036839984	712499726	/nfs/dbraw/zinc/49/97/26/712499726.db2.gz	RMPNVVPMYZSSQC-UWVGGRQHSA-N	-1	1	244.335	0.990	10	0		BCAEMM
C[C@@H](O)[C@@H](C)[N-]S(=O)(=O)c1ccns1	ZINC000717784716	712676200	/nfs/dbraw/zinc/67/62/00/712676200.db2.gz	AVMYVWKXGQKARC-PHDIDXHHSA-N	-1	1	236.318	0.191	10	0		BCAEMM
O=C(c1ccc[nH]1)N1CCC[C@@H]1c1nn[n-]n1	ZINC000720653590	712861177	/nfs/dbraw/zinc/86/11/77/712861177.db2.gz	KESTULHEUUEFEK-MRVPVSSYSA-N	-1	1	232.247	0.505	10	0		BCAEMM
Cc1cc(C(=O)N2CCC[C@@H]2c2nn[n-]n2)no1	ZINC000720655184	712861188	/nfs/dbraw/zinc/86/11/88/712861188.db2.gz	NUEOUKDDEZBIQB-MRVPVSSYSA-N	-1	1	248.246	0.473	10	0		BCAEMM