smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[C@H](CC#N)NC(=O)c1sc2nnc([S-])n2c1C	ZINC000585089540	930917559	/nfs/dbraw/zinc/91/75/59/930917559.db2.gz	VQRBAGTXFFONKW-SSDOTTSWSA-N	-1	0	295.393	1.810	50	30		CDEARM
N/C(CS(=O)(=O)c1ccc(Cl)cc1Cl)=N\O	ZINC000095929489	185031866	/nfs/dbraw/zinc/03/18/66/185031866.db2.gz	MAYLKQVREYSYHZ-UHFFFAOYSA-N	-1	0	283.136	1.514	50	30		CDEARM
Cc1cc(C#N)ccc1S(=O)(=O)[N-]C(=O)C1CC=CC1	ZINC000195577080	342628886	/nfs/dbraw/zinc/62/88/86/342628886.db2.gz	IDMPRVATQDABIL-UHFFFAOYSA-N	-1	0	290.344	1.638	50	30		CDEARM
Cc1cc2c(c(Br)c1)N(C)C(=O)/C2=N\[O-]	ZINC000005150752	356050522	/nfs/dbraw/zinc/05/05/22/356050522.db2.gz	FVCHLJKDRKVBAN-WQLSENKSSA-N	-1	0	269.098	1.912	50	30		CDEARM
Cc1cc(S(=O)(=O)[N-]c2c(C#N)cnn2C)c(C)s1	ZINC000195573233	358566914	/nfs/dbraw/zinc/56/69/14/358566914.db2.gz	AOIYOLUTQIIYQR-UHFFFAOYSA-N	-1	0	296.377	1.771	50	30		CDEARM
Cc1n[n-]c(N/N=C\c2c[nH]c3ccccc23)nc1=O	ZINC000012341110	359051215	/nfs/dbraw/zinc/05/12/15/359051215.db2.gz	CKMGHRJDEKTUAC-CHHVJCJISA-N	-1	0	268.280	1.401	50	30		CDEARM
O=c1cn[n-]c(N/N=C/c2ccc(Cl)cc2Cl)n1	ZINC000003945079	371938064	/nfs/dbraw/zinc/93/80/64/371938064.db2.gz	HAMKKHZNNAIGEO-YIXHJXPBSA-N	-1	0	284.106	1.918	50	30		CDEARM
COc1nc(Oc2ccc(/C=N/[O-])cc2)nc(N(C)C)n1	ZINC000013139264	374655243	/nfs/dbraw/zinc/65/52/43/374655243.db2.gz	WSTUGMCFAHMEQX-RIYZIHGNSA-N	-1	0	289.295	1.547	50	30		CDEARM
C=CCn1c(SCC(=O)[O-])nnc1-c1ccccn1	ZINC000195751405	378695828	/nfs/dbraw/zinc/69/58/28/378695828.db2.gz	QOYYFWNQWWPRSJ-UHFFFAOYSA-N	-1	0	276.321	1.703	50	30		CDEARM
O=C([O-])COc1ccc(/C=N/n2cnnc2)cc1Cl	ZINC000000451018	169643904	/nfs/dbraw/zinc/64/39/04/169643904.db2.gz	HGZQBTHGYJGVCY-SYZQJQIISA-N	-1	0	280.671	1.277	50	30		CDEARM
COc1cc([N+](=O)[O-])cc(C=NNC(N)=S)c1[O-]	ZINC000001789237	533132707	/nfs/dbraw/zinc/13/27/07/533132707.db2.gz	QZRBVIYABAAKHQ-NYYWCZLTSA-N	-1	0	270.270	1.097	50	30		CDEARM
CC1=C2C(=CO[C@@H](C)[C@@H]2C)C(=O)C(C(=O)[O-])C1=O	ZINC000000001164	390377370	/nfs/dbraw/zinc/37/73/70/390377370.db2.gz	CQIUKKVOEOPUDV-FSPLSTOPSA-N	-1	0	250.250	1.721	50	30	biogenic,in-vitro	CDEARM
Cc1n[nH]c(C)c1N=Nc1ccc([N+](=O)[O-])cc1C(=O)[O-]	ZINC000004898557	170038050	/nfs/dbraw/zinc/03/80/50/170038050.db2.gz	JLQOGEPFOLPGNL-UHFFFAOYSA-N	-1	0	289.251	1.911	50	30		CDEARM
CCOC(=O)CSc1[n-]c(=O)cc(C)c1C#N	ZINC000008680733	170345064	/nfs/dbraw/zinc/34/50/64/170345064.db2.gz	FAEKWVWUOBWWOA-UHFFFAOYSA-N	-1	0	252.295	1.623	50	30		CDEARM
C=C(C)C[C@H](C)C(=O)N[C@@H](CCSC)c1nnn[n-]1	ZINC000585128129	931012041	/nfs/dbraw/zinc/01/20/41/931012041.db2.gz	SWIISAMBDTUYLG-UWVGGRQHSA-N	-1	0	283.401	1.712	50	30		CDEARM
C[C@@H](CC(=O)[O-])NC1=CC(=O)c2ccccc2C1=O	ZINC000101415507	185740148	/nfs/dbraw/zinc/74/01/48/185740148.db2.gz	MCOSIBAZFGDQTB-QMMMGPOBSA-N	-1	0	259.261	1.402	50	30		CDEARM
O=C(NCc1ccccn1)/C(=N/[O-])c1ccccc1	ZINC000013119608	356337512	/nfs/dbraw/zinc/33/75/12/356337512.db2.gz	OXIIGFYNROKCEF-GHRIWEEISA-N	-1	0	255.277	1.576	50	30		CDEARM
C=CCN([C@@H](C)C(=O)[O-])S(=O)(=O)c1ccc(C)cc1	ZINC000000191707	356812420	/nfs/dbraw/zinc/81/24/20/356812420.db2.gz	VLXRDFREWCCFPY-NSHDSACASA-N	-1	0	283.349	1.645	50	30		CDEARM
C=CCOc1cccc(C=C2C(=O)[N-]C(=O)NC2=O)c1	ZINC000004093722	360774643	/nfs/dbraw/zinc/77/46/43/360774643.db2.gz	WWGGFPDSUCBXQJ-UHFFFAOYSA-N	-1	0	272.260	1.001	50	30		CDEARM
C=CCn1c([O-])c(CN2CO[C@@H](C)C2)c(C)c(C#N)c1=O	ZINC000019690860	364079592	/nfs/dbraw/zinc/07/95/92/364079592.db2.gz	UVUBHLJJXRZVPS-JTQLQIEISA-N	-1	0	289.335	1.098	50	30		CDEARM
O=C1C(=N[O-])c2ccccc2N1CN1CCCCC1	ZINC000254646580	375305895	/nfs/dbraw/zinc/30/58/95/375305895.db2.gz	VBIIEOMNUPLAFC-UHFFFAOYSA-N	-1	0	259.309	1.655	50	30		CDEARM
CCNC(=O)c1c([O-])c2ccccc2n(CCC#N)c1=O	ZINC000205023545	391322836	/nfs/dbraw/zinc/32/28/36/391322836.db2.gz	OGHHPJJSJAFGPO-UHFFFAOYSA-N	-1	0	285.303	1.370	50	30		CDEARM
C=CCNC(=O)[C@H](C)Sc1n[nH]c(-c2ccccn2)n1	ZINC000096409186	393182114	/nfs/dbraw/zinc/18/21/14/393182114.db2.gz	MDCAXLCRYRWTJI-VIFPVBQESA-N	-1	0	289.364	1.650	50	30		CDEARM
N#Cc1c(Br)cc(C(=O)[O-])cc1C=O	ZINC000263623573	303174544	/nfs/dbraw/zinc/17/45/44/303174544.db2.gz	IPYGFYIXSRTLPO-UHFFFAOYSA-N	-1	0	254.039	1.831	50	30		CDEARM
CC[C@H](C)n1cnc(S(=O)(=O)[N-]c2n[nH]cc2C#N)c1	ZINC000091052492	482530798	/nfs/dbraw/zinc/53/07/98/482530798.db2.gz	KLXWLTXMBDLERD-QMMMGPOBSA-N	-1	0	294.340	1.250	50	30		CDEARM
Cc1nnc(SCC(=O)[O-])n1/N=C/c1ccccc1O	ZINC000027525663	538270174	/nfs/dbraw/zinc/27/01/74/538270174.db2.gz	OLFVVXVIVOAEQR-AWNIVKPZSA-N	-1	0	292.320	1.351	50	30		CDEARM
C=CCN(CC(=O)[O-])C(=O)NCc1nnc(C(C)C)s1	ZINC000888093368	617752205	/nfs/dbraw/zinc/75/22/05/617752205.db2.gz	AFXJUBXRGBITFV-UHFFFAOYSA-N	-1	0	298.368	1.444	50	30		CDEARM
CC[C@H](CC#N)NC(=O)c1ncc(Br)cc1[O-]	ZINC000952883619	910455804	/nfs/dbraw/zinc/45/58/04/910455804.db2.gz	XYAWXZAEWUVZSD-MRVPVSSYSA-N	-1	0	298.140	1.972	50	30		CDEARM
CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)Nc1ccccc1C#N	ZINC000061721771	362097065	/nfs/dbraw/zinc/09/70/65/362097065.db2.gz	HRJIVQUOAHVIQB-MNOVXSKESA-N	-1	0	258.277	1.854	50	30		CDEARM
N#Cc1c(=O)[n-]c(N2CCOCC2)nc1-c1ccccc1	ZINC000008606910	283072523	/nfs/dbraw/zinc/07/25/23/283072523.db2.gz	LDHMMBYVDLVAHY-UHFFFAOYSA-N	-1	0	282.303	1.145	50	30		CDEARM
CCOc1ccc(C=NNc2[nH]c(=O)nnc2C)cc1	ZINC000004370197	356323961	/nfs/dbraw/zinc/32/39/61/356323961.db2.gz	IVHBYKOBJAUNNO-RIYZIHGNSA-N	-1	0	273.296	1.318	50	30		CDEARM
CCN1C(=O)CS/C1=N\c1cccc(C(=O)[O-])c1	ZINC000012733554	356320810	/nfs/dbraw/zinc/32/08/10/356320810.db2.gz	LXICUSMHTMYZAS-SEYXRHQNSA-N	-1	0	264.306	1.968	50	30		CDEARM
CC[C@H](C)S(=O)(=O)[N-]C(=O)Cc1c(C)nn(C)c1C	ZINC000097107188	357968229	/nfs/dbraw/zinc/96/82/29/357968229.db2.gz	GYDCWMVWOHKLKN-QMMMGPOBSA-N	-1	0	287.385	1.664	50	30		CDEARM
COc1ccc([O-])c(C(=O)c2cc(C#N)c(=O)n(C)c2)c1	ZINC000014199926	358927329	/nfs/dbraw/zinc/92/73/29/358927329.db2.gz	MPIFRQLKXFAQNI-UHFFFAOYSA-N	-1	0	284.271	1.202	50	30		CDEARM
CCOC(=O)c1n[n-]n(N=Cc2ccccc2)c1=O	ZINC000033429150	359331571	/nfs/dbraw/zinc/33/15/71/359331571.db2.gz	CWKBGRQFWPPDLP-JYRVWZFOSA-N	-1	0	260.253	1.043	50	30		CDEARM
O=C([O-])CON=Cc1ccccc1Br	ZINC000252447538	367430163	/nfs/dbraw/zinc/43/01/63/367430163.db2.gz	LTQZGBARTYTADJ-UHFFFAOYSA-N	-1	0	258.071	1.884	50	30		CDEARM
COCc1cc(C)nc(SCC(=O)[O-])c1C#N	ZINC000000109032	373833219	/nfs/dbraw/zinc/83/32/19/373833219.db2.gz	MJLLTDZSIPEIAO-UHFFFAOYSA-N	-1	0	252.295	1.585	50	30		CDEARM
COC(=O)c1cc(Br)c([O-])c(C#N)c1	ZINC000263623652	390590967	/nfs/dbraw/zinc/59/09/67/390590967.db2.gz	JJAWMKCPUVKBNJ-UHFFFAOYSA-N	-1	0	256.055	1.813	50	30		CDEARM
CC1=CC(=O)C(=C([O-])C=Cc2ccccc2)C(=O)O1	ZINC000198414040	397915091	/nfs/dbraw/zinc/91/50/91/397915091.db2.gz	VPYUEWGWFJDJNO-DANTVBBOSA-N	-1	0	256.257	1.915	50	30		CDEARM
C[C@H](NC(=O)c1ccc(C#CC(C)(C)O)s1)C(=O)[O-]	ZINC000004698072	170001039	/nfs/dbraw/zinc/00/10/39/170001039.db2.gz	OUZUJMBEZVWQFE-QMMMGPOBSA-N	-1	0	281.333	1.073	50	30		CDEARM
Cc1nn(C)c(C)c1[N-]S(=O)(=O)c1cccc(C#N)c1	ZINC000005173647	170073749	/nfs/dbraw/zinc/07/37/49/170073749.db2.gz	JZBWYMXZFKCZOZ-UHFFFAOYSA-N	-1	0	290.348	1.709	50	30		CDEARM
CCc1nc(SCC(=O)N(CC)CC)[n-]c(=O)c1C#N	ZINC000005238909	170078362	/nfs/dbraw/zinc/07/83/62/170078362.db2.gz	RNKVWFMUQNGNRX-UHFFFAOYSA-N	-1	0	294.380	1.164	50	30		CDEARM
CCOC([O-])=NC(=O)C(C#N)=NNc1cccc(OC)c1	ZINC000012860026	170514740	/nfs/dbraw/zinc/51/47/40/170514740.db2.gz	FXHSFULFXBFMJI-BOPFTXTBSA-N	-1	0	290.279	1.259	50	30		CDEARM
N#Cc1c(=O)[n-]c(=O)[nH]c1-c1ccc(Cl)c(Cl)c1	ZINC000001090908	303173945	/nfs/dbraw/zinc/17/39/45/303173945.db2.gz	LUYDGPCXFOPIDG-UHFFFAOYSA-N	-1	0	282.086	1.909	50	30		CDEARM
O=[N+]([O-])c1cccc(-c2ccc(CN=Nc3nnn[n-]3)o2)c1	ZINC000004323034	356246804	/nfs/dbraw/zinc/24/68/04/356246804.db2.gz	CEYNFNFHSSBBKR-NTUHNPAUSA-N	-1	0	299.250	1.814	50	30		CDEARM
CN(C)c1ccc(-c2[nH]c(=O)[n-]c(=O)c2C#N)cc1	ZINC000226762304	359562510	/nfs/dbraw/zinc/56/25/10/359562510.db2.gz	XZKAGYSJPOGNAG-UHFFFAOYSA-N	-1	0	256.265	1.080	50	30		CDEARM
C=CCOc1ccc(N2C[C@H](C(=O)[O-])CC2=O)cc1	ZINC000003612731	360771994	/nfs/dbraw/zinc/77/19/94/360771994.db2.gz	FDXBEBXCEWTJAV-SNVBAGLBSA-N	-1	0	261.277	1.689	50	30		CDEARM
Cn1nncc1/C=C\C(=O)c1csc(C(=O)[O-])c1	ZINC000606444235	375824961	/nfs/dbraw/zinc/82/49/61/375824961.db2.gz	AYRCLIRBUINZGQ-IHWYPQMZSA-N	-1	0	263.278	1.471	50	30		CDEARM
Nc1nnnn1/N=C\c1ccc(-c2cccc(C(=O)[O-])c2)o1	ZINC000000043402	169515461	/nfs/dbraw/zinc/51/54/61/169515461.db2.gz	OEGHNNIHIOSPOR-CHHVJCJISA-N	-1	0	298.262	1.096	50	30		CDEARM
CCn1cc(Br)cc1C(=O)[N-]S(C)(=O)=O	ZINC000096403325	393178577	/nfs/dbraw/zinc/17/85/77/393178577.db2.gz	METQYLOFGQQWKV-UHFFFAOYSA-N	-1	0	295.158	1.535	50	30		CDEARM
CCOC(=O)C(C#N)=C([O-])c1ccc([N+](=O)[O-])cc1	ZINC000000032511	397968704	/nfs/dbraw/zinc/96/87/04/397968704.db2.gz	UKBSTFRRKWGHPS-JTQLQIEISA-N	-1	0	262.221	1.480	50	30		CDEARM
CCn1cc([N-]S(=O)(=O)c2ccc(C#N)cc2)cn1	ZINC000024577377	171437371	/nfs/dbraw/zinc/43/73/71/171437371.db2.gz	SPYJKYNDCSVMLV-UHFFFAOYSA-N	-1	0	276.321	1.575	50	30		CDEARM
C[C@@](O)(CNc1ccc(C#N)cc1C(F)(F)F)C(=O)[O-]	ZINC000263548993	297853655	/nfs/dbraw/zinc/85/36/55/297853655.db2.gz	JGVRSMFPJAJSNP-LLVKDONJSA-N	-1	0	288.225	1.825	50	30		CDEARM
O=C(C=CNCCc1ccccc1)C1=C([O-])CCC1=O	ZINC000100704235	230392207	/nfs/dbraw/zinc/39/22/07/230392207.db2.gz	LKIBEPATLKCZCT-PKNBQFBNSA-N	-1	0	271.316	1.450	50	30		CDEARM
C=CCS(=O)(=O)[N-]C(=O)[C@H]1C[C@H](C)C[C@H](C)C1	ZINC000252487620	361845160	/nfs/dbraw/zinc/84/51/60/361845160.db2.gz	ZPLKZCGWMSUINF-URLYPYJESA-N	-1	0	259.371	1.691	50	30		CDEARM
Cc1cc(S(=O)(=O)[N-]c2nn(C)cc2C#N)sc1C	ZINC000091018842	342399006	/nfs/dbraw/zinc/39/90/06/342399006.db2.gz	YPJNQLCLTGFQPC-UHFFFAOYSA-N	-1	0	296.377	1.771	50	30		CDEARM
Cc1n[n-]c(N/N=C/c2cc(Cl)ccc2O)nc1=O	ZINC000015015596	356404037	/nfs/dbraw/zinc/40/40/37/356404037.db2.gz	LVXVSLKONBCSON-WLRTZDKTSA-N	-1	0	279.687	1.278	50	30		CDEARM
C=CCN1C(=O)[C@@H](CC(=O)[O-])S/C1=N/c1nccs1	ZINC000100746777	356821009	/nfs/dbraw/zinc/82/10/09/356821009.db2.gz	KNNHITMMQOZDMX-HAUXJGJXSA-N	-1	0	297.361	1.735	50	30		CDEARM
COc1ccc(-n2c(O)cc(C)c(C#N)c2=O)cc1	ZINC000101099913	357050843	/nfs/dbraw/zinc/05/08/43/357050843.db2.gz	IFFJZYDWHHTDTE-UHFFFAOYSA-N	-1	0	256.261	1.732	50	30		CDEARM
C=CCN1C(=O)[N-]C(=O)/C(=C/c2ccc(C)o2)C1=O	ZINC000000084745	361439262	/nfs/dbraw/zinc/43/92/62/361439262.db2.gz	UERQJZYKYZWSAT-YFHOEESVSA-N	-1	0	260.249	1.236	50	30		CDEARM
C=CCOC(=O)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000035977410	365003517	/nfs/dbraw/zinc/00/35/17/365003517.db2.gz	CRGOQFIAULBODK-UHFFFAOYSA-N	-1	0	286.265	1.196	50	30		CDEARM
C#CC(C)(C)OC(=O)[C@@H]1CC(C)=CC[C@@H]1C(=O)[O-]	ZINC000004539262	391487272	/nfs/dbraw/zinc/48/72/72/391487272.db2.gz	AMYOAUDTVJPWAJ-WDEREUQCSA-N	-1	0	250.294	1.999	50	30		CDEARM
COC[C@H](C)NC(=O)C(C#N)=C([O-])c1cccc(OC)c1	ZINC000103502947	397906990	/nfs/dbraw/zinc/90/69/90/397906990.db2.gz	QAZHMFVJUODEHJ-GWCFXTLKSA-N	-1	0	290.319	1.169	50	30		CDEARM
CCOC(=O)C=C([O-])c1cnc(N=CN(C)C)s1	ZINC000006463419	170202758	/nfs/dbraw/zinc/20/27/58/170202758.db2.gz	GFFVZYBFTMHATO-NTUHNPAUSA-N	-1	0	269.326	1.500	50	30		CDEARM
Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1ccccc1C#N	ZINC000007708418	170298486	/nfs/dbraw/zinc/29/84/86/170298486.db2.gz	GAHPOGWNPQZVHJ-UHFFFAOYSA-N	-1	0	290.348	1.709	50	30		CDEARM
Cc1nn(C)cc1C=Nn1c(=S)[n-]nc1C(F)F	ZINC000008548536	170339484	/nfs/dbraw/zinc/33/94/84/170339484.db2.gz	DVCBVAJGLLXOCY-KGVSQERTSA-N	-1	0	272.284	1.429	50	30		CDEARM
N#CCc1cccc(C(=O)N2CCC[C@H]2CC(=O)[O-])c1	ZINC000262851451	262789518	/nfs/dbraw/zinc/78/95/18/262789518.db2.gz	DEGJDZQTKPIFRU-ZDUSSCGKSA-N	-1	0	272.304	1.832	50	30		CDEARM
N#Cc1cc(Br)cc(C(=O)[O-])c1C=O	ZINC000263625241	303179331	/nfs/dbraw/zinc/17/93/31/303179331.db2.gz	YAEHWECDALUXLQ-UHFFFAOYSA-N	-1	0	254.039	1.831	50	30		CDEARM
CC[C@H](C)S(=O)(=O)[N-]C(=O)Cc1c(C)noc1C	ZINC000097107198	521783047	/nfs/dbraw/zinc/78/30/47/521783047.db2.gz	ZTXLCTCTYBLWON-ZETCQYMHSA-N	-1	0	274.342	1.919	50	30		CDEARM
CC(C)CS(=O)(=O)[N-]C(=O)c1ccc2c(c1)ncn2C	ZINC000096494974	528195593	/nfs/dbraw/zinc/19/55/93/528195593.db2.gz	VNWQMYVYAAGUIK-UHFFFAOYSA-N	-1	0	295.364	1.864	50	30		CDEARM
C#CCCC1(CCC(=O)N2CC[C@@H]([C@@H](F)C(=O)[O-])C2)N=N1	ZINC000952876292	910432383	/nfs/dbraw/zinc/43/23/83/910432383.db2.gz	KPLLWAJVRJNCDJ-ZYHUDNBSSA-N	-1	0	295.314	1.613	50	30		CDEARM
Cc1ccc(NN=C(CCCCC(=O)[O-])C(N)=O)cc1	ZINC000585152428	342226328	/nfs/dbraw/zinc/22/63/28/342226328.db2.gz	CQADEOSORKZZQO-SFQUDFHCSA-N	-1	0	277.324	1.893	50	30		CDEARM
COc1ccccc1C=CC([O-])=C1C(=O)C=C(C)OC1=O	ZINC000023624431	359277210	/nfs/dbraw/zinc/27/72/10/359277210.db2.gz	JASPIELCFDXCEV-MVGZEHJDSA-N	-1	0	286.283	1.923	50	30		CDEARM
Cc1n[n-]c(N/N=C/[C@H](C)c2ccccc2)nc1=O	ZINC000017857569	364462525	/nfs/dbraw/zinc/46/25/25/364462525.db2.gz	JHUPIVHWRIXQRM-PFMRQGHBSA-N	-1	0	257.297	1.675	50	30		CDEARM
O=C([O-])[C@H](/N=C/c1ccccc1O)[C@@H](O)c1ccccc1	ZINC000019703137	374776779	/nfs/dbraw/zinc/77/67/79/374776779.db2.gz	GFGFDSRGTDIDCD-BIJYSIMDSA-N	-1	0	285.299	1.998	50	30	biogenic	CDEARM
N#Cc1c(F)cccc1OS(=O)(=O)c1cnc[n-]1	ZINC000095438646	374939660	/nfs/dbraw/zinc/93/96/60/374939660.db2.gz	LJPTVZPZWKLYGV-UHFFFAOYSA-N	-1	0	267.241	1.188	50	30		CDEARM
COC(=O)c1cc(C#N)cc([O-])c1Br	ZINC000263623161	291995766	/nfs/dbraw/zinc/99/57/66/291995766.db2.gz	FGQMMPDIQNUADE-UHFFFAOYSA-N	-1	0	256.055	1.813	50	30		CDEARM
C=CCN1C(=O)[N-]C(=O)C(=Cc2ccc(O)cc2)C1=O	ZINC000008971365	170359908	/nfs/dbraw/zinc/35/99/08/170359908.db2.gz	NWQPTJGVSICZQY-DHZHZOJOSA-N	-1	0	272.260	1.880	50	30		CDEARM
N#Cc1c(NC(=O)COCC(=O)[O-])sc2c1CCCC2	ZINC000017023435	170722273	/nfs/dbraw/zinc/72/22/73/170722273.db2.gz	CYYBDGCVYCJNTM-UHFFFAOYSA-N	-1	0	294.332	1.538	50	30		CDEARM
CCN(C(C)=O)C1=C([O-])c2ccccc2C(=O)C1=O	ZINC000020506752	171228707	/nfs/dbraw/zinc/22/87/07/171228707.db2.gz	KCJDGWNUPYXAHG-UHFFFAOYSA-N	-1	0	259.261	1.704	50	30		CDEARM
N#Cc1cc(Br)c(C=O)cc1C(=O)[O-]	ZINC000263624734	303179323	/nfs/dbraw/zinc/17/93/23/303179323.db2.gz	TTZIVHKSZACWQL-UHFFFAOYSA-N	-1	0	254.039	1.831	50	30		CDEARM
N#Cc1cc([N+](=O)[O-])c(N2CCC[C@@H]2C(=O)[O-])cc1C#N	ZINC000004182338	303185698	/nfs/dbraw/zinc/18/56/98/303185698.db2.gz	NWBVZJYKFIYRTB-SNVBAGLBSA-N	-1	0	286.247	1.392	50	30		CDEARM
CC(=O)C(N=Nc1ccc(C(=O)[O-])cc1[N+](=O)[O-])C(C)=O	ZINC000004071032	526387443	/nfs/dbraw/zinc/38/74/43/526387443.db2.gz	JNNKQQPGCFEXOQ-UHFFFAOYSA-N	-1	0	293.235	1.239	50	30		CDEARM
C#CCCC1(CCC(=O)N2CCCC[C@@H]2C(=O)[O-])N=N1	ZINC000952876433	910435268	/nfs/dbraw/zinc/43/52/68/910435268.db2.gz	PYQQXKJQXYLRSU-LLVKDONJSA-N	-1	0	277.324	1.808	50	30		CDEARM
CCCCNC(=O)N[C@H](Cc1ccccc1)C(=O)[O-]	ZINC000082076693	177919354	/nfs/dbraw/zinc/91/93/54/177919354.db2.gz	QVISBXWXOIVWBT-GFCCVEGCSA-N	-1	0	264.325	1.986	50	30		CDEARM
CCCNC(=O)N=S(=O)([O-])c1ccc(Cl)cc1	ZINC000001530599	355938724	/nfs/dbraw/zinc/93/87/24/355938724.db2.gz	RKWGIWYCVPQPMF-UHFFFAOYSA-N	-1	0	276.745	1.942	50	30	fda	CDEARM
Cn1ncnc1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl	ZINC000195556890	189679950	/nfs/dbraw/zinc/67/99/50/189679950.db2.gz	RKQWIAWOPDNROT-UHFFFAOYSA-N	-1	0	297.727	1.141	50	30		CDEARM
CNC(=O)C(C#N)=C([O-])c1cccc2c1ccn2C	ZINC000102734770	373713884	/nfs/dbraw/zinc/71/38/84/373713884.db2.gz	XUNRUHXUXJOWBH-LLVKDONJSA-N	-1	0	255.277	1.247	50	30		CDEARM
Cc1sc(NC(=O)/C=C/C(=O)[O-])c(C#N)c1C	ZINC000000051002	373829414	/nfs/dbraw/zinc/82/94/14/373829414.db2.gz	XPBVVJQMUUACRY-ONEGZZNKSA-N	-1	0	250.279	1.816	50	30		CDEARM
CCCCNC(=O)N=S(=O)([O-])c1ccc(C(C)=O)cc1	ZINC000040116203	374303176	/nfs/dbraw/zinc/30/31/76/374303176.db2.gz	WJSLUMCITGSMHC-UHFFFAOYSA-N	-1	0	298.364	1.882	50	30		CDEARM
CC1(C)[C@]2(C)CC[C@@]1(C(=O)[O-])c1nc(C#N)c(C#N)nc12	ZINC000000353097	390816939	/nfs/dbraw/zinc/81/69/39/390816939.db2.gz	JXHJMPFFKUCDFI-CABCVRRESA-N	-1	0	282.303	1.634	50	30		CDEARM
Cc1occc1C([O-])=C(C#N)C(=O)NC[C@H]1CCCO1	ZINC000103502307	397906201	/nfs/dbraw/zinc/90/62/01/397906201.db2.gz	MACVILFHAPAQNZ-PWSUYJOCSA-N	-1	0	276.292	1.206	50	30		CDEARM
CNC(=O)C(C#N)=C([O-])c1c(Cl)c2ccccc2n1C	ZINC000103508218	397906657	/nfs/dbraw/zinc/90/66/57/397906657.db2.gz	IYMDTSRHLYCVFX-VIFPVBQESA-N	-1	0	289.722	1.900	50	30		CDEARM
CC(=NNc1ccc(Cl)cc1)C1C(=O)[N-]C(=O)NC1=O	ZINC000005033572	170058525	/nfs/dbraw/zinc/05/85/25/170058525.db2.gz	WUCMSZFUHSCSJP-SOFYXZRVSA-N	-1	0	294.698	1.258	50	30		CDEARM
C=C(C)C[C@H](C)C(=O)N1C[C@@H](OC)C[C@@H]1CC(=O)[O-]	ZINC000263148798	330045882	/nfs/dbraw/zinc/04/58/82/330045882.db2.gz	URLODKLBWCEFBB-TUAOUCFPSA-N	-1	0	269.341	1.679	50	30		CDEARM
N#CC1(C(=O)N[C@H]2CC[C@H](C(=O)[O-])C2)CCCC1	ZINC000097039446	358105006	/nfs/dbraw/zinc/10/50/06/358105006.db2.gz	NLWRPDSWIOGTQA-UWVGGRQHSA-N	-1	0	250.298	1.440	50	30		CDEARM
CNC(=O)C(C#N)=C([O-])c1cccc2c1ccn2C	ZINC000102734768	373714079	/nfs/dbraw/zinc/71/40/79/373714079.db2.gz	XUNRUHXUXJOWBH-NSHDSACASA-N	-1	0	255.277	1.247	50	30		CDEARM
Cn1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)n1	ZINC000028779261	375318735	/nfs/dbraw/zinc/31/87/35/375318735.db2.gz	ZJVZTFTYAPVEGS-UHFFFAOYSA-N	-1	0	262.294	1.093	50	30		CDEARM
C=CCNC(=O)Cn1c(=O)c2ccccc2[n-]c1=S	ZINC000003043417	375518029	/nfs/dbraw/zinc/51/80/29/375518029.db2.gz	OHBAHZWLLVKGIY-UHFFFAOYSA-N	-1	0	275.333	1.361	50	30		CDEARM
COc1ccc(-n2nc(C(=O)[O-])c(C)c(C#N)c2=O)cc1	ZINC000003905120	375811491	/nfs/dbraw/zinc/81/14/91/375811491.db2.gz	IBXLCCZQJPZGBC-UHFFFAOYSA-N	-1	0	285.259	1.119	50	30		CDEARM
COC(=O)CSc1nc(-c2ccco2)c(C#N)c(=O)[n-]1	ZINC000031773932	375827253	/nfs/dbraw/zinc/82/72/53/375827253.db2.gz	VCUWLIIZFDHSFH-UHFFFAOYSA-N	-1	0	291.288	1.579	50	30		CDEARM
CN1C(=O)C[C@@H](C(=O)[O-])S/C1=N\c1ccc(F)cc1	ZINC000018208377	289824288	/nfs/dbraw/zinc/82/42/88/289824288.db2.gz	TZEVEERZPLQFTQ-GCOCVTSNSA-N	-1	0	282.296	1.862	50	30		CDEARM
N#Cc1cc2c(nc1N)sc1c2[nH]c(=O)cc1[O-]	ZINC000008767676	303186498	/nfs/dbraw/zinc/18/64/98/303186498.db2.gz	UWXISMLWLFRRQL-UHFFFAOYSA-N	-1	0	258.262	1.710	50	30		CDEARM
Cc1cc([O-])c(C(=O)/C=C/c2cccnc2)c(=O)o1	ZINC000003998798	732373685	/nfs/dbraw/zinc/37/36/85/732373685.db2.gz	FMJPRWQRQXNPDM-SNAWJCMRSA-N	-1	0	257.245	1.945	50	30		CDEARM
CCCS(=O)(=O)[N-]C(=O)/C=C\c1cccc(C#N)c1	ZINC000098012679	935131048	/nfs/dbraw/zinc/13/10/48/935131048.db2.gz	QUMMCKMBJSSXMR-SREVYHEPSA-N	-1	0	278.333	1.427	50	30		CDEARM
C=C[C@](C)(O)C(=O)NC[C@H](CC(=O)[O-])CC(C)C	ZINC000585134590	342215629	/nfs/dbraw/zinc/21/56/29/342215629.db2.gz	BHPSRTRRRUFESD-GWCFXTLKSA-N	-1	0	257.330	1.177	50	30		CDEARM
N#CC1(C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)CCCC1	ZINC000097039444	185511445	/nfs/dbraw/zinc/51/14/45/185511445.db2.gz	NLWRPDSWIOGTQA-VHSXEESVSA-N	-1	0	250.298	1.440	50	30		CDEARM
COc1ccc(C=NNc2nc(O)cs2)cc1OC	ZINC000013549415	356348616	/nfs/dbraw/zinc/34/86/16/356348616.db2.gz	HIVYIIYHZZVIQJ-AWNIVKPZSA-N	-1	0	279.321	1.257	50	30		CDEARM
O=c1oc2ccccc2c([O-])c1C=Nc1ncccn1	ZINC000100835022	374159502	/nfs/dbraw/zinc/15/95/02/374159502.db2.gz	QIBMFKMQGNFMMK-NTMALXAHSA-N	-1	0	267.244	1.574	50	30		CDEARM
CCCCCOCC(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC000123743113	374697918	/nfs/dbraw/zinc/69/79/18/374697918.db2.gz	DUMKJZQNXDNZMQ-UHFFFAOYSA-N	-1	0	261.285	1.298	50	30		CDEARM
CCNC(=S)N/N=C\c1cc(OC)c([O-])c([N+](=O)[O-])c1	ZINC000019911969	374825085	/nfs/dbraw/zinc/82/50/85/374825085.db2.gz	YXYSITZHDDLMAS-MLPAPPSSSA-N	-1	0	298.324	1.127	50	30		CDEARM
O=C([O-])[C@H](CS)NC(=O)CCc1c[nH]c2ccccc12	ZINC000003985308	375829899	/nfs/dbraw/zinc/82/98/99/375829899.db2.gz	GBPIVZDFCNFOQP-LBPRGKRZSA-N	-1	0	292.360	1.600	50	30	biogenic	CDEARM
COC(=O)c1c([O-])c(C#N)c2[nH]c3ccccc3n2c1=O	ZINC000102919236	291995312	/nfs/dbraw/zinc/99/53/12/291995312.db2.gz	PPFDSCSBVAUJCM-UHFFFAOYSA-N	-1	0	283.243	1.145	50	30		CDEARM
CCOCCCNC(=O)N[C@H](C(=O)[O-])[C@H](C)CC	ZINC000082076665	286039344	/nfs/dbraw/zinc/03/93/44/286039344.db2.gz	DYYPRDFAPHNLMX-ZJUUUORDSA-N	-1	0	260.334	1.416	50	30		CDEARM
O=C([O-])C[C@@H]1S/C(=N/N=C2CCCCC2)NC1=O	ZINC000005374101	170090456	/nfs/dbraw/zinc/09/04/56/170090456.db2.gz	ZVCAKYNYASXLJB-QMMMGPOBSA-N	-1	0	269.326	1.369	50	30		CDEARM
CC1=CC(=O)C(=C([O-])C=Cc2ccccc2)C(=O)O1	ZINC000021763033	171321208	/nfs/dbraw/zinc/32/12/08/171321208.db2.gz	VPYUEWGWFJDJNO-NPQIQWPPSA-N	-1	0	256.257	1.915	50	30		CDEARM
COC(=O)c1sccc1[N-]N=C(C#N)C(=O)C1CC1	ZINC000000125821	263613020	/nfs/dbraw/zinc/61/30/20/263613020.db2.gz	CWPIDADVCNROGQ-DHDCSXOGSA-N	-1	0	277.305	1.805	50	30		CDEARM
NC(=S)N/N=C/c1cc(Cl)cc(Cl)c1[O-]	ZINC000000076021	303353321	/nfs/dbraw/zinc/35/33/21/303353321.db2.gz	JEYQVOZWSMPXNM-KGVSQERTSA-N	-1	0	264.137	1.866	50	30		CDEARM
O=C([N-]S(=O)(=O)c1ccncc1)[C@@H]1CC1(Cl)Cl	ZINC000084615168	483298737	/nfs/dbraw/zinc/29/87/37/483298737.db2.gz	WLMOZSMIOIBEME-ZETCQYMHSA-N	-1	0	295.147	1.921	50	30		CDEARM
C#CCCC1(CCC(=O)N2C[C@@H](OC)C[C@@H]2C(=O)[O-])N=N1	ZINC000952880317	910440083	/nfs/dbraw/zinc/44/00/83/910440083.db2.gz	AELQFPFMFMFNDU-WDEREUQCSA-N	-1	0	293.323	1.043	50	30		CDEARM
N#CC1=C([O-])NC(N2CCc3ccccc32)=NC12CCCC2	ZINC000009344491	356226847	/nfs/dbraw/zinc/22/68/47/356226847.db2.gz	ZHBSBRAYPWZPJA-ZDUSSCGKSA-N	-1	0	294.358	1.987	50	30		CDEARM
C[C@](O)(CNc1nc(C(F)(F)F)ccc1C#N)C(=O)[O-]	ZINC000263553361	359021625	/nfs/dbraw/zinc/02/16/25/359021625.db2.gz	MNIIRRIWYQTTIR-JTQLQIEISA-N	-1	0	289.213	1.220	50	30		CDEARM
CN1C(=O)CSC1=Nc1cccc(C(=O)[O-])c1	ZINC000252632057	369939152	/nfs/dbraw/zinc/93/91/52/369939152.db2.gz	VPIAMVJQJJHOFF-UHFFFAOYSA-N	-1	0	250.279	1.578	50	30		CDEARM
CC(=O)C1=C(O)C(=O)N([C@H](C)C(=O)[O-])[C@H]1c1ccccc1	ZINC000020112653	374845234	/nfs/dbraw/zinc/84/52/34/374845234.db2.gz	PVIOMRJMVNJYNK-PELKAZGASA-N	-1	0	289.287	1.444	50	30	biogenic	CDEARM
CCNC(=S)N=S(=O)([O-])c1ccc(Cl)cc1	ZINC000013483303	285149604	/nfs/dbraw/zinc/14/96/04/285149604.db2.gz	GUVAQUNQCMOIHP-UHFFFAOYSA-N	-1	0	278.786	1.924	50	30		CDEARM
CCOC(=O)c1cc(C#N)c(=O)[n-]c1C(F)(F)F	ZINC000013469827	390226434	/nfs/dbraw/zinc/22/64/34/390226434.db2.gz	PRWYPQDZTQIQPV-UHFFFAOYSA-N	-1	0	260.171	1.854	50	30		CDEARM
CC(=O)c1ccc(C([O-])=C(C#N)C(=O)c2nccn2C)cc1	ZINC000102100456	397831853	/nfs/dbraw/zinc/83/18/53/397831853.db2.gz	XTVXBEUZVDGVKT-ZDUSSCGKSA-N	-1	0	295.298	1.828	50	30		CDEARM
COC[C@@H](C)NC(=O)C(C#N)=C([O-])c1ccc(OC)cc1	ZINC000103502921	397906815	/nfs/dbraw/zinc/90/68/15/397906815.db2.gz	RTUWBGKUSOGXPS-MFKMUULPSA-N	-1	0	290.319	1.169	50	30		CDEARM
C/C(=N\N=C1\NC(=O)[C@H](CC(=O)[O-])S1)c1cccs1	ZINC000004616377	169990545	/nfs/dbraw/zinc/99/05/45/169990545.db2.gz	PBLZEOZJPKEWKF-UVDXRHSJSA-N	-1	0	297.361	1.534	50	30		CDEARM
CCOc1ccccc1NN=C1C(=O)[N-]C(=O)NC1=O	ZINC000006845678	170248156	/nfs/dbraw/zinc/24/81/56/170248156.db2.gz	OBGQKGWHOVYCHD-UHFFFAOYSA-N	-1	0	276.252	1.060	50	30		CDEARM
CC(=O)C(=Cc1cc(O)c([O-])c([N+](=O)[O-])c1)C(C)=O	ZINC000035645588	172322605	/nfs/dbraw/zinc/32/26/05/172322605.db2.gz	UPMRZALMHVUCIN-UHFFFAOYSA-N	-1	0	265.221	1.567	50	30	endogenous,investigational	CDEARM
C/C(=N\NC(N)=S)c1c([O-])c2ccccc2oc1=O	ZINC000006691938	277731924	/nfs/dbraw/zinc/73/19/24/277731924.db2.gz	HAOWFSDUVVKWHW-MKMNVTDBSA-N	-1	0	277.305	1.056	50	30	biogenic	CDEARM
N#Cc1cnn2c1nc(-c1ccccc1)cc2C(=O)[O-]	ZINC000012399067	303214544	/nfs/dbraw/zinc/21/45/44/303214544.db2.gz	XDDBAXRYOCZWJU-UHFFFAOYSA-N	-1	0	264.244	1.966	50	30		CDEARM
Cc1[nH]nc([N-]S(=O)(=O)Cc2cccc(C)c2)c1C#N	ZINC000097377197	323208223	/nfs/dbraw/zinc/20/82/23/323208223.db2.gz	QIUQTGBPALVPBF-UHFFFAOYSA-N	-1	0	290.348	1.840	50	30		CDEARM
C=CCN1C(=O)/C(=C/c2ccco2)C(=O)NC1=S	ZINC000000242642	739153626	/nfs/dbraw/zinc/15/36/26/739153626.db2.gz	DXCFRTSHENGZCV-VQHVLOKHSA-N	-1	0	262.290	1.092	50	30		CDEARM
O=C([O-])CO/N=C/c1ccc(Br)cc1	ZINC000005767032	304070010	/nfs/dbraw/zinc/07/00/10/304070010.db2.gz	DGHXAVQKYMQCTH-VZUCSPMQSA-N	-1	0	258.071	1.884	50	30		CDEARM
COC(=O)/C(Cc1ccc(O)c(Br)c1)=N/[O-]	ZINC000100544487	358831832	/nfs/dbraw/zinc/83/18/32/358831832.db2.gz	AMXHNFGHJPBXSJ-XYOKQWHBSA-N	-1	0	288.097	1.700	50	30		CDEARM
CNC(=O)C(C#N)=C([O-])c1cccc(-c2noc(C)n2)c1	ZINC000102708168	373638930	/nfs/dbraw/zinc/63/89/30/373638930.db2.gz	CQXLWIXNOLOVDW-LLVKDONJSA-N	-1	0	284.275	1.114	50	30		CDEARM
CCOC(=O)C(C#N)=C([O-])c1ccc(NC(C)=O)cc1	ZINC000000289165	169598374	/nfs/dbraw/zinc/59/83/74/169598374.db2.gz	FUANJCIFQYJKLO-LBPRGKRZSA-N	-1	0	274.276	1.531	50	30		CDEARM
Cc1nc(C(=O)NC2CCC(C(=O)[O-])CC2)ccc1C#N	ZINC000037561357	173271772	/nfs/dbraw/zinc/27/17/72/173271772.db2.gz	KNXSZAMCUYDLPB-UHFFFAOYSA-N	-1	0	287.319	1.635	50	30		CDEARM
COc1ccc(/N=C2\S[C@H](C(=O)[O-])CC(=O)N2C)cc1	ZINC000012417080	295063618	/nfs/dbraw/zinc/06/36/18/295063618.db2.gz	SHHMYICJNAACAQ-DZOVYVGFSA-N	-1	0	294.332	1.731	50	30		CDEARM
N#Cc1c(=O)[n-]c(=O)[nH]c1-c1ccc(Br)cc1	ZINC000003149069	303174099	/nfs/dbraw/zinc/17/40/99/303174099.db2.gz	UPJWZYDFNBUWJB-UHFFFAOYSA-N	-1	0	292.092	1.364	50	30		CDEARM
N#Cc1cn(-c2cccc(C(F)(F)F)c2)c(=O)[n-]c1=O	ZINC000000169594	303211809	/nfs/dbraw/zinc/21/18/09/303211809.db2.gz	WRRPMKHYWNEDAR-UHFFFAOYSA-N	-1	0	281.193	1.829	50	30		CDEARM
Cc1c(C#N)c(NC[C@@](C)(O)C(=O)[O-])nc2ccccc12	ZINC000263565337	539114633	/nfs/dbraw/zinc/11/46/33/539114633.db2.gz	VPGIKTHUKAGPQV-OAHLLOKOSA-N	-1	0	285.303	1.662	50	30		CDEARM
COc1ccc([C@@H]2[C@@]3(C#N)C(=O)[N-]C(=O)[C@@]23C#N)cc1OC	ZINC000019933214	348746009	/nfs/dbraw/zinc/74/60/09/348746009.db2.gz	ORGUJBMWJOLBHO-SHHSBJBSSA-N	-1	0	297.270	1.318	50	30		CDEARM
C/C(=N\Cc1ccccc1)c1c([O-])[nH]c(=O)sc1=O	ZINC000014291778	366151072	/nfs/dbraw/zinc/15/10/72/366151072.db2.gz	PFGXESHFQSWQIX-RIYZIHGNSA-N	-1	0	276.317	1.511	50	30		CDEARM
C=CCc1cccc(/C=N/NS(C)(=O)=O)c1O	ZINC000000431422	355910996	/nfs/dbraw/zinc/91/09/96/355910996.db2.gz	JQMSSOPXYARRGO-XYOKQWHBSA-N	-1	0	254.311	1.004	50	30		CDEARM
O=C1Nc2ccccc2[C@]1(O)C/C(=N/[O-])c1ccco1	ZINC000000068464	355883446	/nfs/dbraw/zinc/88/34/46/355883446.db2.gz	RBGSZKSXKSMPHR-VQCBNXJZSA-N	-1	0	272.260	1.688	50	30		CDEARM
O=C([O-])[C@@H](NC=C1C(=O)CCCC1=O)c1ccccc1	ZINC000020365687	304096543	/nfs/dbraw/zinc/09/65/43/304096543.db2.gz	MYDNCMLGFDRHBO-AWEZNQCLSA-N	-1	0	273.288	1.608	50	30		CDEARM
C=C(Cl)CS(=O)(=O)[N-]C(=O)c1cccc2c[nH]nc21	ZINC000095467910	374963168	/nfs/dbraw/zinc/96/31/68/374963168.db2.gz	PQTZSTWMVYSUAD-UHFFFAOYSA-N	-1	0	299.739	1.950	50	30		CDEARM
N#Cc1cccc(NC(=O)c2nccnc2C(=O)[O-])c1	ZINC000032074405	375876220	/nfs/dbraw/zinc/87/62/20/375876220.db2.gz	UFLXYPULICDFKD-UHFFFAOYSA-N	-1	0	268.232	1.299	50	30		CDEARM
C=CC[C@@]1(C(=O)[O-])CCCN(c2nccnc2N(C)C)C1	ZINC000092077221	377930795	/nfs/dbraw/zinc/93/07/95/377930795.db2.gz	AEFBNFDGUYNOLC-OAHLLOKOSA-N	-1	0	290.367	1.790	50	30		CDEARM
COC[C@H](C)NC(=O)C(C#N)=C([O-])c1ccc(OC)cc1	ZINC000103502919	397906586	/nfs/dbraw/zinc/90/65/86/397906586.db2.gz	RTUWBGKUSOGXPS-GWCFXTLKSA-N	-1	0	290.319	1.169	50	30		CDEARM
COC[C@H](C)NC(=O)C(C#N)=C([O-])c1cccc(F)c1	ZINC000103502989	397906921	/nfs/dbraw/zinc/90/69/21/397906921.db2.gz	CMQAARGQRNRUFH-JOYOIKCWSA-N	-1	0	278.283	1.299	50	30		CDEARM
CC(=O)[N-]S(=O)(=O)c1cc(Cl)ccc1NC(C)=O	ZINC000071770287	397908933	/nfs/dbraw/zinc/90/89/33/397908933.db2.gz	BVKYENDXBDNCNL-UHFFFAOYSA-N	-1	0	290.728	1.964	50	30		CDEARM
CON=C(C(=O)[O-])c1csc(N=NC(C)C)n1	ZINC000004506112	169974710	/nfs/dbraw/zinc/97/47/10/169974710.db2.gz	BKURZXQSZHJBNN-NTUHNPAUSA-N	-1	0	256.287	1.386	50	30		CDEARM
COc1ccc(-c2ccc(C#N)c(=O)[n-]2)cc1OC	ZINC000020745774	171271794	/nfs/dbraw/zinc/27/17/94/171271794.db2.gz	AWYLHYQTMKXTLG-UHFFFAOYSA-N	-1	0	256.261	1.931	50	30		CDEARM
CC1(C)[C@@H](C(=O)[O-])[C@@H]1C(=O)Nc1cccc(C#N)c1	ZINC000071279262	176107982	/nfs/dbraw/zinc/10/79/82/176107982.db2.gz	HIFMIVYBNMSUFQ-GHMZBOCLSA-N	-1	0	258.277	1.854	50	30		CDEARM
CC1=CC(=O)C(=C([O-])C=Cc2cccc(O)c2)C(=O)O1	ZINC000110516925	424644889	/nfs/dbraw/zinc/64/48/89/424644889.db2.gz	GCXCAUAFKHWDEE-GXMNPTEKSA-N	-1	0	272.256	1.620	50	30		CDEARM
Cn1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2C#N)cn1	ZINC000086114199	482696751	/nfs/dbraw/zinc/69/67/51/482696751.db2.gz	BNMONIWDOFBMRV-UHFFFAOYSA-N	-1	0	296.739	1.746	50	30		CDEARM
CN1CCN(N=Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1	ZINC000885725908	745879065	/nfs/dbraw/zinc/87/90/65/745879065.db2.gz	ZWMMZSINDMJAGG-UHFFFAOYSA-N	-1	0	298.730	1.535	50	30		CDEARM
Cc1n[n-]c(=S)n(N=Cc2cccc([N+](=O)[O-])c2)c1=O	ZINC000095618447	185015955	/nfs/dbraw/zinc/01/59/55/185015955.db2.gz	DIAVYQVEXCPHAD-WUXMJOGZSA-N	-1	0	291.292	1.400	50	30		CDEARM
Cc1n[n-]c(N/N=C/c2cccc(Cl)c2)nc1=O	ZINC000015015599	356404159	/nfs/dbraw/zinc/40/41/59/356404159.db2.gz	OXSBQJLRKZEFDD-AWNIVKPZSA-N	-1	0	263.688	1.573	50	30		CDEARM
N#Cc1ccc(S(=O)(=O)[N-]c2nccs2)cc1	ZINC000019504575	356488106	/nfs/dbraw/zinc/48/81/06/356488106.db2.gz	YPMZWHLGLFEOKH-UHFFFAOYSA-N	-1	0	265.319	1.816	50	30		CDEARM
CC1=CC(=O)C(=C([O-])C=Cc2cccs2)C(=O)O1	ZINC000003581834	358548327	/nfs/dbraw/zinc/54/83/27/358548327.db2.gz	KUCOBSFXMJXHTN-ITKZLYELSA-N	-1	0	262.286	1.976	50	30		CDEARM
Cc1cc(=O)[n-]c(SCC(=O)OC(C)C)c1C#N	ZINC000012250595	358793633	/nfs/dbraw/zinc/79/36/33/358793633.db2.gz	DRAYWHKHJSRDHT-UHFFFAOYSA-N	-1	0	266.322	1.599	50	30		CDEARM
C=CCOc1ccc(/C=C2/NC(=O)[N-]C2=O)cc1OC	ZINC000016247969	361431831	/nfs/dbraw/zinc/43/18/31/361431831.db2.gz	DJXTVWHNSUFOSZ-JXMROGBWSA-N	-1	0	274.276	1.440	50	30		CDEARM
N#Cc1cccc(Cl)c1NCCCc1n[nH]c(=O)[n-]1	ZINC000089768074	366930969	/nfs/dbraw/zinc/93/09/69/366930969.db2.gz	LQXKSSCNMHEELS-UHFFFAOYSA-N	-1	0	277.715	1.668	50	30		CDEARM
O=C([N-]S(=O)(=O)N1CCCCCCC1)C1CC1	ZINC000095351507	374888669	/nfs/dbraw/zinc/88/86/69/374888669.db2.gz	ADCZEJBOIZHPIR-UHFFFAOYSA-N	-1	0	260.359	1.864	50	30		CDEARM
CC1=CC(=O)C(=C([O-])C=Cc2cccc(O)c2)C(=O)O1	ZINC000028605412	375286135	/nfs/dbraw/zinc/28/61/35/375286135.db2.gz	GCXCAUAFKHWDEE-VBROQKIQSA-N	-1	0	272.256	1.620	50	30		CDEARM
C/C(=N\[O-])c1noc(C)c1C(=O)Nc1nccs1	ZINC000015884917	390218488	/nfs/dbraw/zinc/21/84/88/390218488.db2.gz	UCDGOPSUJOIWIC-WLRTZDKTSA-N	-1	0	266.282	1.890	50	30		CDEARM
CCOC(=O)c1n[n-]n(N=Cc2ccccc2F)c1=O	ZINC000005957577	170162027	/nfs/dbraw/zinc/16/20/27/170162027.db2.gz	KOKALECUAAQZFC-VGOFMYFVSA-N	-1	0	278.243	1.182	50	30		CDEARM
C=CC[C@@]1(C(=O)[O-])CCCN(C(=O)Cn2ccnc2C)C1	ZINC000091907147	277884708	/nfs/dbraw/zinc/88/47/08/277884708.db2.gz	DUUJANMGYNGSRP-OAHLLOKOSA-N	-1	0	291.351	1.461	50	30		CDEARM
C=CCn1c2nc(C)cc(C(=O)[O-])c2c(=O)[nH]c1=S	ZINC000036617268	277895606	/nfs/dbraw/zinc/89/56/06/277895606.db2.gz	PZUIWMUUEFBIKD-UHFFFAOYSA-N	-1	0	277.305	1.647	50	30		CDEARM
N#Cc1cc(I)c([O-])c([N+](=O)[O-])c1	ZINC000000001823	303184509	/nfs/dbraw/zinc/18/45/09/303184509.db2.gz	SGKGVABHDAQAJO-UHFFFAOYSA-N	-1	0	290.016	1.777	50	30	in-man	CDEARM
N#Cc1ccc(N2CCC[C@@H]2C(=O)[O-])c([N+](=O)[O-])c1	ZINC000004051737	303193296	/nfs/dbraw/zinc/19/32/96/303193296.db2.gz	UYIWNUZVBXSYDJ-SNVBAGLBSA-N	-1	0	261.237	1.520	50	30		CDEARM
N#Cc1n[n-]n(-c2ccc(Br)cc2)c1=O	ZINC000006512809	303219056	/nfs/dbraw/zinc/21/90/56/303219056.db2.gz	APFPYSGQHGNQMP-UHFFFAOYSA-N	-1	0	265.070	1.607	50	30		CDEARM
COc1cc(/C=N/OCC(=O)[O-])cc(OC)c1OC	ZINC000069054830	521998755	/nfs/dbraw/zinc/99/87/55/521998755.db2.gz	LGBJIZMHZQVHTG-AWNIVKPZSA-N	-1	0	269.253	1.148	50	30		CDEARM
C=CCNC(=O)CCc1nnc(-c2ccccc2)[n-]c1=O	ZINC000034767698	526525400	/nfs/dbraw/zinc/52/54/00/526525400.db2.gz	IXACXRJWKWXCDR-UHFFFAOYSA-N	-1	0	284.319	1.479	50	30		CDEARM
C/C(=N\N=C1/NC(=O)[C@@H](CC(=O)[O-])S1)c1ccc(C)o1	ZINC000004351525	356310521	/nfs/dbraw/zinc/31/05/21/356310521.db2.gz	IJSPRUOPSUHKRI-CULDGANSSA-N	-1	0	295.320	1.374	50	30		CDEARM
CC(=O)Nc1n[n-]c(S(=O)(=O)Cc2ccc(C)cc2)n1	ZINC000033114981	356795619	/nfs/dbraw/zinc/79/56/19/356795619.db2.gz	XAEAZCMHIUZTDB-UHFFFAOYSA-N	-1	0	294.336	1.695	50	30		CDEARM
CC[C@@H](C(C)C)S(=O)(=O)[N-]C(=O)c1cc(C#N)cn1C	ZINC000095409369	357222751	/nfs/dbraw/zinc/22/27/51/357222751.db2.gz	DCJKMWVHTYRGGK-LBPRGKRZSA-N	-1	0	297.380	1.966	50	30		CDEARM
CC[C@@H](C)S(=O)(=O)[N-]C(=O)Cc1c(C)noc1C	ZINC000097107197	357969347	/nfs/dbraw/zinc/96/93/47/357969347.db2.gz	ZTXLCTCTYBLWON-SSDOTTSWSA-N	-1	0	274.342	1.919	50	30		CDEARM
Cc1cnc([N-]S(=O)(=O)c2cccc(C#N)c2)s1	ZINC000019502462	364816856	/nfs/dbraw/zinc/81/68/56/364816856.db2.gz	DHRHIOLUIRYZOI-UHFFFAOYSA-N	-1	0	279.346	1.546	50	30		CDEARM
C[C@H](Oc1ccccc1C#N)C(=O)N(CC(=O)[O-])C1CC1	ZINC000037589283	369198333	/nfs/dbraw/zinc/19/83/33/369198333.db2.gz	NMBXUWBKFAICOC-JTQLQIEISA-N	-1	0	288.303	1.401	50	30		CDEARM
N#Cc1c(NC(=O)/C=C\C(=O)[O-])sc2c1CCC2	ZINC000101407255	397793537	/nfs/dbraw/zinc/79/35/37/397793537.db2.gz	PIAPFXCCTUKVIL-PLNGDYQASA-N	-1	0	262.290	1.688	50	30		CDEARM
O=S(=O)([O-])c1ccc(NN=Cc2ccncc2)cc1	ZINC000004955510	170045108	/nfs/dbraw/zinc/04/51/08/170045108.db2.gz	SPJLEVJHUHPEEL-NTEUORMPSA-N	-1	0	277.305	1.774	50	30		CDEARM
N#Cc1ccc(OCC(=O)N2CCCC[C@H]2C(=O)[O-])cc1	ZINC000036966364	172834884	/nfs/dbraw/zinc/83/48/84/172834884.db2.gz	JWJXYNNUKCEGOS-ZDUSSCGKSA-N	-1	0	288.303	1.403	50	30		CDEARM
Cc1cc(=O)n(CCc2ccccc2)c([O-])c1C#N	ZINC000000617933	301067409	/nfs/dbraw/zinc/06/74/09/301067409.db2.gz	JKVMGMSFODGPLF-UHFFFAOYSA-N	-1	0	254.289	1.977	50	30		CDEARM
N#Cc1cc(F)ccc1NCCCc1n[nH]c(=O)[n-]1	ZINC000096456233	230377451	/nfs/dbraw/zinc/37/74/51/230377451.db2.gz	XVRKYVCEZPHWDO-UHFFFAOYSA-N	-1	0	261.260	1.153	50	30		CDEARM
COC(=O)[C@@]1(Cl)C([O-])=C(C(C)=O)C(=O)CC1(C)C	ZINC000004625881	357366117	/nfs/dbraw/zinc/36/61/17/357366117.db2.gz	PVZGPWNIGJGZFU-LBPRGKRZSA-N	-1	0	274.700	1.537	50	30		CDEARM
N#Cc1nc(NC(=O)Cc2cn3ccsc3n2)[n-]c1C#N	ZINC000026272711	369843826	/nfs/dbraw/zinc/84/38/26/369843826.db2.gz	OYKZDCOXIWKDQR-UHFFFAOYSA-N	-1	0	297.303	1.043	50	30		CDEARM
Cc1ccc(C([O-])=C(C#N)C(=O)N2CCSCC2)s1	ZINC000102759094	373721327	/nfs/dbraw/zinc/72/13/27/373721327.db2.gz	FEYOFNAULXPQLC-JTQLQIEISA-N	-1	0	294.401	1.954	50	30		CDEARM
Cc1c[nH]c(CN(C)[C@H](C(=O)[O-])c2ccc(C#N)cc2)n1	ZINC000095384084	374894160	/nfs/dbraw/zinc/89/41/60/374894160.db2.gz	JOGYKPCOSSPHFD-AWEZNQCLSA-N	-1	0	284.319	1.848	50	30		CDEARM
COCCCNC(=O)C(C#N)=C([O-])c1ccc(F)cc1	ZINC000103502779	397906195	/nfs/dbraw/zinc/90/61/95/397906195.db2.gz	NTILDPCYWWFTLR-GFCCVEGCSA-N	-1	0	278.283	1.301	50	30		CDEARM
CC(C)[C@@H](Nc1cc(C#N)c(C#N)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000004709324	170002940	/nfs/dbraw/zinc/00/29/40/170002940.db2.gz	VNPFNMGCCQGWEE-GFCCVEGCSA-N	-1	0	288.263	1.859	50	30		CDEARM
CC(C)[C@H](Nc1cc(C#N)c(C#N)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000004709322	170003043	/nfs/dbraw/zinc/00/30/43/170003043.db2.gz	VNPFNMGCCQGWEE-LBPRGKRZSA-N	-1	0	288.263	1.859	50	30		CDEARM
Cc1cc([N-]S(=O)(=O)c2cccc(C#N)c2)no1	ZINC000007422919	170284211	/nfs/dbraw/zinc/28/42/11/170284211.db2.gz	FWNDJGHBNWRRPX-UHFFFAOYSA-N	-1	0	263.278	1.656	50	30		CDEARM
Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1ccc(C#N)cc1	ZINC000007708365	170298461	/nfs/dbraw/zinc/29/84/61/170298461.db2.gz	LQGDTLNSQWITMF-UHFFFAOYSA-N	-1	0	290.348	1.709	50	30		CDEARM
CC(C)[C@@H](NC(=O)c1cccc(CC#N)c1)C(=O)[O-]	ZINC000262081921	262762361	/nfs/dbraw/zinc/76/23/61/262762361.db2.gz	DTOHBTMBOBOVHT-GFCCVEGCSA-N	-1	0	260.293	1.592	50	30		CDEARM
N#Cc1ccc(NC(=O)CSCC(=O)[O-])cc1	ZINC000000151608	303195426	/nfs/dbraw/zinc/19/54/26/303195426.db2.gz	BMNQIERYLXRMDT-UHFFFAOYSA-N	-1	0	250.279	1.315	50	30		CDEARM
CCN(CC)S(=O)(=O)c1ccccc1C=N[O-]	ZINC000252623930	361874686	/nfs/dbraw/zinc/87/46/86/361874686.db2.gz	PCLYEPMGOCHOCT-UHFFFAOYSA-N	-1	0	256.327	1.525	50	30		CDEARM
Cc1cc2c(cc1Br)NC(=O)/C2=N\[O-]	ZINC000012446974	356300582	/nfs/dbraw/zinc/30/05/82/356300582.db2.gz	AGNBDYDENXJXFC-UHFFFAOYSA-N	-1	0	255.071	1.888	50	30		CDEARM
C=CC[C@@]1(C(=O)[O-])CCCN(C(=O)N2CCCC2)C1	ZINC000091745583	377903660	/nfs/dbraw/zinc/90/36/60/377903660.db2.gz	AFJKHEAXXVARDY-CQSZACIVSA-N	-1	0	266.341	1.945	50	30		CDEARM
O=C([O-])C[C@@H]1S/C(=N/N=C/[C@@H]2CC=CCC2)NC1=O	ZINC000004844759	170029666	/nfs/dbraw/zinc/02/96/66/170029666.db2.gz	LCXSJKUTAYWTNE-JWYMGWFMSA-N	-1	0	281.337	1.391	50	30		CDEARM
CCOC(=O)c1cc(C#N)c(SCC)[n-]c1=O	ZINC000010013890	170395088	/nfs/dbraw/zinc/39/50/88/170395088.db2.gz	WFNDKUJDFGVRHT-UHFFFAOYSA-N	-1	0	252.295	1.948	50	30		CDEARM
COc1ccc(C=CC([O-])=C2C(=O)COC2=O)cc1OC	ZINC000018163197	356468322	/nfs/dbraw/zinc/46/83/22/356468322.db2.gz	BRACNOSWHCPFPP-KQIUPUNMSA-N	-1	0	290.271	1.028	50	30		CDEARM
CCOc1cc(CN=NC(=S)NC)cc([N+](=O)[O-])c1[O-]	ZINC000036046586	356857197	/nfs/dbraw/zinc/85/71/97/356857197.db2.gz	LQIKUNSBCAMEBB-MLPAPPSSSA-N	-1	0	298.324	1.538	50	30		CDEARM
O=C([O-])CNC(=O)c1ccccc1Br	ZINC000082156548	358149808	/nfs/dbraw/zinc/14/98/08/358149808.db2.gz	FVCGQCONGSANIN-UHFFFAOYSA-N	-1	0	258.071	1.838	50	30		CDEARM
O=C1Nc2ccccc2[C@]1(O)CC(=N[O-])c1ccco1	ZINC000252626568	369401373	/nfs/dbraw/zinc/40/13/73/369401373.db2.gz	RBGSZKSXKSMPHR-CQSZACIVSA-N	-1	0	272.260	1.688	50	30		CDEARM
Cc1nnc(NN=CCCc2ccccc2)[n-]c1=O	ZINC000003901948	371126777	/nfs/dbraw/zinc/12/67/77/371126777.db2.gz	JSOFDKFEEMJGTG-NTEUORMPSA-N	-1	0	257.297	1.504	50	30		CDEARM
N#CCC[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)[O-]	ZINC000007987243	170312169	/nfs/dbraw/zinc/31/21/69/170312169.db2.gz	NUMYEJKCZXZPGY-SNVBAGLBSA-N	-1	0	266.684	1.827	50	30		CDEARM
N#CC1=C([O-])NC(=S)N[C@H]1c1ccc(Cl)cc1	ZINC000017124922	303158419	/nfs/dbraw/zinc/15/84/19/303158419.db2.gz	ABMFAEYEKHNRPB-IUCAKERBSA-N	-1	0	265.725	1.525	50	30		CDEARM
CO[C@H](C)CS(=O)(=O)[N-]c1cc(C#N)cc(C)n1	ZINC000585128652	1164215199	/nfs/dbraw/zinc/21/51/99/1164215199.db2.gz	JNKPYARBAUPKDX-SECBINFHSA-N	-1	0	269.326	1.038	50	30		CDEARM
C#CCCC1(CCC(=O)N2CC[C@H]([C@@H](F)C(=O)[O-])C2)N=N1	ZINC000952876289	910431521	/nfs/dbraw/zinc/43/15/21/910431521.db2.gz	KPLLWAJVRJNCDJ-CMPLNLGQSA-N	-1	0	295.314	1.613	50	30		CDEARM
C#CCN(CC1CC1)C(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000097374905	342002801	/nfs/dbraw/zinc/00/28/01/342002801.db2.gz	XEEXOVSVBUFPRD-UHFFFAOYSA-N	-1	0	274.276	1.786	50	30		CDEARM
N#Cc1ccc(S(=O)(=O)[N-]c2nc3ccccc3[nH]2)cn1	ZINC000095982033	185054253	/nfs/dbraw/zinc/05/42/53/185054253.db2.gz	NEEBPXPBLMMENI-UHFFFAOYSA-N	-1	0	299.315	1.630	50	30		CDEARM
N#Cc1ccccc1OCC(=O)NC(=O)c1cccs1	ZINC000012853848	362849929	/nfs/dbraw/zinc/84/99/29/362849929.db2.gz	KOBGRCRYXGJBBX-UHFFFAOYSA-N	-1	0	286.312	1.955	50	30		CDEARM
O=C1CO[C@@H]2Cc3ccc(Br)cc3[C@@H]2N1O	ZINC000221815459	348754872	/nfs/dbraw/zinc/75/48/72/348754872.db2.gz	FQXSUQCCAHKURK-KOLCDFICSA-N	-1	0	284.109	1.663	50	30		CDEARM
C=CC[C@]1(C(=O)[O-])CCCN(C(=O)COC(C)C)C1	ZINC000092004102	180304719	/nfs/dbraw/zinc/30/47/19/180304719.db2.gz	LGUAUPZWCDHMPL-AWEZNQCLSA-N	-1	0	269.341	1.681	50	30		CDEARM
C=CCNC([S-])=NS(=O)(=O)c1cccs1	ZINC000002699677	355979046	/nfs/dbraw/zinc/97/90/46/355979046.db2.gz	XBJFOXHMGBEWHD-UHFFFAOYSA-N	-1	0	262.381	1.498	50	30		CDEARM
O=C([O-])C1CCN(/C=C/C(=O)C(F)(F)F)CC1	ZINC000003226838	355997603	/nfs/dbraw/zinc/99/76/03/355997603.db2.gz	JWSHXVSYKMNMBH-ZZXKWVIFSA-N	-1	0	251.204	1.428	50	30		CDEARM
CC(C)c1ccc(/C=N/Nc2nc(=O)cn[n-]2)cc1	ZINC000003945080	356013710	/nfs/dbraw/zinc/01/37/10/356013710.db2.gz	VQKYORSXGVNTPZ-VGOFMYFVSA-N	-1	0	257.297	1.734	50	30		CDEARM
Cc1[n-][nH]c(=O)c1N=Nc1cccc(Cl)c1C	ZINC000012372447	356295682	/nfs/dbraw/zinc/29/56/82/356295682.db2.gz	LYDPSZLEOWMWKZ-UHFFFAOYSA-N	-1	0	250.689	1.922	50	30		CDEARM
Cc1cc(C)cc(/N=C2\NC(=O)[C@H](CC(=O)[O-])S2)c1	ZINC000004690157	357754636	/nfs/dbraw/zinc/75/46/36/357754636.db2.gz	MDTOYMOPZGTEMM-JTQLQIEISA-N	-1	0	278.333	1.997	50	30		CDEARM
Cn1cc(C#N)c(=NC(=O)N[C@H]2CC23CCCCC3)[n-]1	ZINC000584908357	358858768	/nfs/dbraw/zinc/85/87/68/358858768.db2.gz	UYLGVLJIGRCVNH-NSHDSACASA-N	-1	0	273.340	1.558	50	30		CDEARM
O=CC1=C([O-])c2cc(Br)ccc2OC1	ZINC000100805560	358834779	/nfs/dbraw/zinc/83/47/79/358834779.db2.gz	WFJGCSIKSOIWIB-LURJTMIESA-N	-1	0	255.067	1.839	50	30		CDEARM
CCCN(C)S(=O)(=O)[N-]C(=O)C[C@H]1C=CCC1	ZINC000089955531	366982644	/nfs/dbraw/zinc/98/26/44/366982644.db2.gz	GZZOAHRFSLMLOZ-JTQLQIEISA-N	-1	0	260.359	1.886	50	30		CDEARM
N#Cc1ccc(-c2ccc(/C=C3/NC(=O)[N-]C3=O)o2)cc1	ZINC000000088972	373830705	/nfs/dbraw/zinc/83/07/05/373830705.db2.gz	COOPVPZMXVZZLD-KPKJPENVSA-N	-1	0	279.255	1.999	50	30		CDEARM
CC1=CC(=O)C(=C([O-])C=Cc2cccc(O)c2)C(=O)O1	ZINC000028605413	375285973	/nfs/dbraw/zinc/28/59/73/375285973.db2.gz	GCXCAUAFKHWDEE-GJBLVYBDSA-N	-1	0	272.256	1.620	50	30		CDEARM
CCc1ccc(C([O-])=C(C#N)C(=O)N[C@@H](C)COC)cc1	ZINC000103502994	397906608	/nfs/dbraw/zinc/90/66/08/397906608.db2.gz	UPMUDCIKBGBFNI-SMDDNHRTSA-N	-1	0	288.347	1.723	50	30		CDEARM
CSc1[n-]c(=O)n(-c2ccccc2)c(=O)c1C#N	ZINC000000360885	398135001	/nfs/dbraw/zinc/13/50/01/398135001.db2.gz	CHDSRHMHUPLRQX-UHFFFAOYSA-N	-1	0	259.290	1.119	50	30		CDEARM
N#Cc1cc(Cl)ccc1NC(=O)COCC(=O)[O-]	ZINC000004681105	169998177	/nfs/dbraw/zinc/99/81/77/169998177.db2.gz	KQUXBPBJEZPUDO-UHFFFAOYSA-N	-1	0	268.656	1.251	50	30		CDEARM
CC(C)(C#N)[N-]S(=O)(=O)c1c(F)cccc1F	ZINC000096502816	527489065	/nfs/dbraw/zinc/48/90/65/527489065.db2.gz	VWLBZQSOZXWJPJ-UHFFFAOYSA-N	-1	0	260.265	1.545	50	30		CDEARM
C#CCCC1(CCC(=O)N2CCC[C@H]2CC(=O)[O-])N=N1	ZINC000952876150	910432397	/nfs/dbraw/zinc/43/23/97/910432397.db2.gz	CMDCDXWXCCTOGP-NSHDSACASA-N	-1	0	277.324	1.808	50	30		CDEARM
C#CCCC1(CCC(=O)NC2CC(C(=O)[O-])C2)N=N1	ZINC000952876852	919587259	/nfs/dbraw/zinc/58/72/59/919587259.db2.gz	ZJORATLLDFHOPR-UHFFFAOYSA-N	-1	0	263.297	1.322	50	30		CDEARM
C=CC/N=c1\scc([O-])n1S(=O)(=O)c1ccccc1	ZINC000018087971	365801577	/nfs/dbraw/zinc/80/15/77/365801577.db2.gz	KLGULDDWXYYMFR-SEYXRHQNSA-N	-1	0	296.373	1.493	50	30		CDEARM
C=CC[C@]1(C(=O)[O-])CCC[N@@H+](Cc2c[nH]nc2C(=O)[O-])C1	ZINC000091725996	180242342	/nfs/dbraw/zinc/24/23/42/180242342.db2.gz	TUYJRMOGLIIESR-AWEZNQCLSA-N	-1	0	293.323	1.351	50	30		CDEARM
CCOC(=O)c1n[n-]n(N=Cc2ccc(F)cc2)c1=O	ZINC000033429156	359669640	/nfs/dbraw/zinc/66/96/40/359669640.db2.gz	XWVZHOCLEWCMPL-AUWJEWJLSA-N	-1	0	278.243	1.182	50	30		CDEARM
CCOc1ccc(C=Nn2c(=O)c(C)n[n-]c2=S)cc1	ZINC000100649394	364064025	/nfs/dbraw/zinc/06/40/25/364064025.db2.gz	BAUQOEMGVLYXGL-RIYZIHGNSA-N	-1	0	290.348	1.890	50	30		CDEARM
CN(C)c1ccc(C#N)c([N-]S(=O)(=O)c2cn[nH]c2)c1	ZINC000089323054	377830171	/nfs/dbraw/zinc/83/01/71/377830171.db2.gz	NNCSXHRAWJSXPU-UHFFFAOYSA-N	-1	0	291.336	1.148	50	30		CDEARM
COC[C@@H](C)NC(=O)C(C#N)=C([O-])c1ccc(Cl)cc1	ZINC000103502906	397906829	/nfs/dbraw/zinc/90/68/29/397906829.db2.gz	UNWNJMCNLVDBHQ-BXKDBHETSA-N	-1	0	294.738	1.814	50	30		CDEARM
N#CC1(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CCCC1	ZINC000097039450	303141599	/nfs/dbraw/zinc/14/15/99/303141599.db2.gz	NLWRPDSWIOGTQA-ZJUUUORDSA-N	-1	0	250.298	1.440	50	30		CDEARM
N#Cc1cc(S(=O)(=O)c2ccc(F)cc2)c(N)[n-]c1=O	ZINC000004002835	303185757	/nfs/dbraw/zinc/18/57/57/303185757.db2.gz	VLYCSYJSOFIBIL-UHFFFAOYSA-N	-1	0	293.279	1.213	50	30		CDEARM
N#C[C@]12C(=O)[N-]C(=O)[C@@]1(C#N)[C@H]2c1ccc2c(c1)OCO2	ZINC000019933456	348745894	/nfs/dbraw/zinc/74/58/94/348745894.db2.gz	JBXMSNZVHARBGV-OJNYZHBWSA-N	-1	0	281.227	1.029	50	30		CDEARM
Cc1ccc(S(=O)([O-])=NC(=O)NC(C)(C)C)cc1	ZINC000000373033	355907320	/nfs/dbraw/zinc/90/73/20/355907320.db2.gz	KGDPVKYFROQKNE-UHFFFAOYSA-N	-1	0	270.354	1.986	50	30		CDEARM
CCOc1ccc(N2C[C@H](C(=O)[O-])CC2=O)cc1C#N	ZINC000065533329	374274576	/nfs/dbraw/zinc/27/45/76/374274576.db2.gz	ODKSFCYOSNEWNE-SNVBAGLBSA-N	-1	0	274.276	1.394	50	30		CDEARM
COC(=O)c1cc([O-])cc(Br)c1C#N	ZINC000263624015	190070684	/nfs/dbraw/zinc/07/06/84/190070684.db2.gz	MPRHZMPNXSBSOL-UHFFFAOYSA-N	-1	0	256.055	1.813	50	30		CDEARM
Cc1cc([O-])n(CCc2ccccc2)c(=O)c1C#N	ZINC000100615057	390385218	/nfs/dbraw/zinc/38/52/18/390385218.db2.gz	KNJDFOJTZWZPLC-UHFFFAOYSA-N	-1	0	254.289	1.977	50	30		CDEARM
CN1C(=O)C[C@@H](C(=O)[O-])S/C1=N/c1ccc(F)cc1	ZINC000100001626	289823817	/nfs/dbraw/zinc/82/38/17/289823817.db2.gz	TZEVEERZPLQFTQ-DMPSHJKHSA-N	-1	0	282.296	1.862	50	30		CDEARM
CNC(=O)C(C#N)=C([O-])c1ccc(C)c(Br)c1	ZINC000102700091	290525510	/nfs/dbraw/zinc/52/55/10/290525510.db2.gz	KCWMFYKTUULXHW-VIFPVBQESA-N	-1	0	295.136	1.826	50	30		CDEARM
CON=C(C(=O)[O-])C1=NNC(=Nc2ccccc2)SC1	ZINC000000197675	796062334	/nfs/dbraw/zinc/06/23/34/796062334.db2.gz	UZWLVLNXOOFWOM-MHWRWJLKSA-N	-1	0	292.320	1.644	50	30		CDEARM
C#CCCC1(CCC(=O)N2CC[C@@H](C(=O)[O-])[C@H]2C)N=N1	ZINC000952876729	910435551	/nfs/dbraw/zinc/43/55/51/910435551.db2.gz	VPEYXEWMSRTXFG-GHMZBOCLSA-N	-1	0	277.324	1.664	50	30		CDEARM
C=CCNC(=O)N=S(=O)([O-])c1ccc(C)cc1	ZINC000002267262	538641629	/nfs/dbraw/zinc/64/16/29/538641629.db2.gz	JKSLHSQGBONPCN-UHFFFAOYSA-N	-1	0	254.311	1.373	50	30		CDEARM
CCOC([O-])=NC(=O)C(=NNc1ccccc1)C(C)=O	ZINC000100219655	358822362	/nfs/dbraw/zinc/82/23/62/358822362.db2.gz	RYABQPQOYUCMKR-WJDWOHSUSA-N	-1	0	277.280	1.316	50	30		CDEARM
CNC(=O)C(C#N)=C([O-])c1ccc(C)c(Br)c1	ZINC000102700087	373624472	/nfs/dbraw/zinc/62/44/72/373624472.db2.gz	KCWMFYKTUULXHW-SECBINFHSA-N	-1	0	295.136	1.826	50	30		CDEARM
Cc1cccc([N-]S(=O)(=O)c2cnn(C)c2)c1C#N	ZINC000095463438	374959795	/nfs/dbraw/zinc/95/97/95/374959795.db2.gz	GGNCMHDGEWZIMO-UHFFFAOYSA-N	-1	0	276.321	1.401	50	30		CDEARM
CCC(CC)n1nc(C([O-])=C(C#N)C(=O)NC)cc1C	ZINC000101974669	397826082	/nfs/dbraw/zinc/82/60/82/397826082.db2.gz	RUPDDDVGMAGSGB-NSHDSACASA-N	-1	0	276.340	1.621	50	30		CDEARM
N#Cc1[n-]c2nc(-c3ccccc3)cc(=O)n2c1C#N	ZINC000102260855	397845351	/nfs/dbraw/zinc/84/53/51/397845351.db2.gz	ZAZBEQQDDNTVJB-UHFFFAOYSA-N	-1	0	261.244	1.433	50	30		CDEARM
CNC(=O)C(C#N)=C([O-])c1ccc2ccccc2c1	ZINC000103508174	397906805	/nfs/dbraw/zinc/90/68/05/397906805.db2.gz	VZSLTHDXZFZOMV-ZDUSSCGKSA-N	-1	0	252.273	1.908	50	30		CDEARM
O=c1cn[n-]c(N/N=C/c2cccc(Br)c2)n1	ZINC000004338121	169959106	/nfs/dbraw/zinc/95/91/06/169959106.db2.gz	BXULXELSARXONJ-LFYBBSHMSA-N	-1	0	294.112	1.373	50	30		CDEARM
C=CCN1C(=O)[N-]C(=O)/C(=C\c2ccc(N(C)C)cc2)C1=O	ZINC000008744327	170353396	/nfs/dbraw/zinc/35/33/96/170353396.db2.gz	BSFWBKSLFLJKSR-JLHYYAGUSA-N	-1	0	299.330	1.400	50	30		CDEARM
CC(=O)[C@@H](CC(=O)[O-])C1C(=O)CC(C)(C)CC1=O	ZINC000000129270	278223856	/nfs/dbraw/zinc/22/38/56/278223856.db2.gz	JSHYQFFZRQCDTK-MRVPVSSYSA-N	-1	0	254.282	1.868	50	30		CDEARM
C=CCN(Cc1ccccc1OC)C(=O)N[C@@H](C)C(=O)[O-]	ZINC001506424830	975159150	/nfs/dbraw/zinc/15/91/50/975159150.db2.gz	LXKUIEOBAVEEAW-NSHDSACASA-N	-1	0	292.335	1.866	50	30		CDEARM
Cc1c(C#N)c(NC[C@](C)(O)C(=O)[O-])nc2ccccc12	ZINC000263565336	539114631	/nfs/dbraw/zinc/11/46/31/539114631.db2.gz	VPGIKTHUKAGPQV-HNNXBMFYSA-N	-1	0	285.303	1.662	50	30		CDEARM
COCCCNC(=O)C(C#N)=C([O-])c1ccc(Cl)cc1	ZINC000103502782	185846674	/nfs/dbraw/zinc/84/66/74/185846674.db2.gz	XTJHNPUKDHUXNN-LBPRGKRZSA-N	-1	0	294.738	1.815	50	30		CDEARM
CCOC(=O)C(C#N)=N[N-]c1n[nH]c(C)c1C(=O)OCC	ZINC000103550019	185850012	/nfs/dbraw/zinc/85/00/12/185850012.db2.gz	BVBALXKFDKHPMZ-WEJMQFPDSA-N	-1	0	293.283	1.434	50	30		CDEARM
Clc1ccc(CN=Nc2nnn[n-]2)c(Cl)c1	ZINC000003898313	356013023	/nfs/dbraw/zinc/01/30/23/356013023.db2.gz	YNLKEBROGQKJAX-NYYWCZLTSA-N	-1	0	257.084	1.953	50	30		CDEARM
O=C([O-])C[C@@H]1S/C(=N\N=C2CCCCCC2)NC1=O	ZINC000017084838	356453807	/nfs/dbraw/zinc/45/38/07/356453807.db2.gz	IWZBPGBAADIHCO-VIFPVBQESA-N	-1	0	283.353	1.759	50	30		CDEARM
Cc1ccc(C(=O)C=c2nc3c([n-]c2=O)=NON3)cc1	ZINC000101356060	360795933	/nfs/dbraw/zinc/79/59/33/360795933.db2.gz	AWXWKIIGSUOXFA-RMKNXTFCSA-N	-1	0	270.248	1.509	50	30		CDEARM
Cc1[n-]c(=O)c(C#N)cc1C(=O)Nc1cnc2n1CCCC2	ZINC000067606049	374421726	/nfs/dbraw/zinc/42/17/26/374421726.db2.gz	WRZRWKZLWFCVRN-UHFFFAOYSA-N	-1	0	297.318	1.752	50	30		CDEARM
CNC(=O)C(C#N)=C([O-])c1cccc(OC(F)(F)F)c1	ZINC000101671882	397809973	/nfs/dbraw/zinc/80/99/73/397809973.db2.gz	XFRVGHNJUDILSB-SECBINFHSA-N	-1	0	286.209	1.654	50	30		CDEARM
N#Cc1cc([O-])c(-n2nnc3ccccc32)cc1C#N	ZINC000000479749	303185545	/nfs/dbraw/zinc/18/55/45/303185545.db2.gz	XXIRYMPNSWPIEG-UHFFFAOYSA-N	-1	0	261.244	1.869	50	30		CDEARM
CCn1ncc(C#N)c1[N-]S(=O)(=O)c1ccccc1F	ZINC000195573272	323572493	/nfs/dbraw/zinc/57/24/93/323572493.db2.gz	CMZWDXGGRAQLEE-UHFFFAOYSA-N	-1	0	294.311	1.715	50	30		CDEARM
C=CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)[O-])cc1C	ZINC000382512327	336091952	/nfs/dbraw/zinc/09/19/52/336091952.db2.gz	RZHBVPNGYXIDAD-SNVBAGLBSA-N	-1	0	283.349	1.936	50	30		CDEARM
Cc1cc(F)ccc1C(=O)[N-]S(=O)(=O)N1CCCC1	ZINC000096483089	533862284	/nfs/dbraw/zinc/86/22/84/533862284.db2.gz	VDVCEJMOYJZFSO-UHFFFAOYSA-N	-1	0	286.328	1.779	50	30		CDEARM
C=CCn1c(=N)[n-]nc1SCC1(Br)CC1	ZINC000585124145	930993916	/nfs/dbraw/zinc/99/39/16/930993916.db2.gz	UUJVEPIEOQRXLK-UHFFFAOYSA-N	-1	0	289.202	1.896	50	30		CDEARM
Cc1n[n-]c(=S)n(N=Cc2ccccc2O)c1=O	ZINC000000453400	355912383	/nfs/dbraw/zinc/91/23/83/355912383.db2.gz	DSCMESPTGXSZSK-WUXMJOGZSA-N	-1	0	262.294	1.197	50	30		CDEARM
CC(=O)C1=C(O)C(=O)N(CC(=O)[O-])[C@@H]1c1ccc(C)cc1	ZINC000004638166	356039286	/nfs/dbraw/zinc/03/92/86/356039286.db2.gz	RRYYQPHSPLNZJB-CYBMUJFWSA-N	-1	0	289.287	1.364	50	30		CDEARM
O=C(NCc1ccncc1)/C(=N/[O-])c1ccccc1	ZINC000013119605	356337522	/nfs/dbraw/zinc/33/75/22/356337522.db2.gz	BPTKQEJRKHRPPB-GHRIWEEISA-N	-1	0	255.277	1.576	50	30		CDEARM
Cc1c(C#N)c(=O)n(-c2ccccc2)nc1C(=O)[O-]	ZINC000000563210	373979954	/nfs/dbraw/zinc/97/99/54/373979954.db2.gz	QEDSTBBJNQPZRS-UHFFFAOYSA-N	-1	0	255.233	1.111	50	30		CDEARM
O=[N+]([O-])c1cc([N+](=O)[O-])c(/C=N/[O-])c([N+](=O)[O-])c1	ZINC000059059119	375861486	/nfs/dbraw/zinc/86/14/86/375861486.db2.gz	IWRHPFDMGCQEEB-FPYGCLRLSA-N	-1	0	256.130	1.219	50	30		CDEARM
COC(=O)C(Cc1ccc(O)c(Br)c1)=N[O-]	ZINC000252517130	377689745	/nfs/dbraw/zinc/68/97/45/377689745.db2.gz	AMXHNFGHJPBXSJ-UHFFFAOYSA-N	-1	0	288.097	1.700	50	30		CDEARM
CC[C@H](C)[C@H](/N=C/c1c(O)c(C)ncc1CO)C(=O)[O-]	ZINC000002527980	390143176	/nfs/dbraw/zinc/14/31/76/390143176.db2.gz	PCZJHAUMLMSSGY-KYGRXHNOSA-N	-1	0	280.324	1.506	50	30		CDEARM
CC(=O)C1=C(C)NC(=O)N[C@H]1c1cccc([N+](=O)[O-])c1[O-]	ZINC000020234868	390231643	/nfs/dbraw/zinc/23/16/43/390231643.db2.gz	GRLYCEBEOKFKCX-NSHDSACASA-N	-1	0	291.263	1.517	50	30		CDEARM
N#CCCn1cc(Br)cc(C(=O)[O-])c1=O	ZINC000071873552	390619905	/nfs/dbraw/zinc/61/99/05/390619905.db2.gz	CEOMRXDIJXGPIN-UHFFFAOYSA-N	-1	0	271.070	1.223	50	30		CDEARM
Cc1ccc(S(=O)([O-])=NC(=O)N2CCCC2)cc1	ZINC000000002196	390595841	/nfs/dbraw/zinc/59/58/41/390595841.db2.gz	RFVJKWJDUQOEML-UHFFFAOYSA-N	-1	0	268.338	1.694	50	30	in-man	CDEARM
N#Cc1nc(N=Nc2ccc(O)cc2O)[n-]c1C#N	ZINC000004817943	170022511	/nfs/dbraw/zinc/02/25/11/170022511.db2.gz	CYLKDQQLGNVFKY-WUKNDPDISA-N	-1	0	254.209	1.980	50	30		CDEARM
COc1cc(NC(=O)CC#N)c(Cl)cc1C(=O)[O-]	ZINC000012650256	170502492	/nfs/dbraw/zinc/50/24/92/170502492.db2.gz	SZVCTXYTTJOURG-UHFFFAOYSA-N	-1	0	268.656	1.899	50	30		CDEARM
Cc1nn(C)cc1/C=C/C(=O)c1c([O-])cc(C)oc1=O	ZINC000020606666	171267203	/nfs/dbraw/zinc/26/72/03/171267203.db2.gz	DLWDUJRIDARZDC-SNAWJCMRSA-N	-1	0	274.276	1.592	50	30		CDEARM
CCCCCC(=O)/C=C/N1C(=O)CC[C@@H]1C(=O)[O-]	ZINC000044125765	175144347	/nfs/dbraw/zinc/14/43/47/175144347.db2.gz	AUYYMNUQCSHJBL-ANYFNZRUSA-N	-1	0	253.298	1.725	50	30		CDEARM
N#CCSc1sc2c([nH]c(=O)cc2[O-])c1C(N)=O	ZINC000044891089	175272662	/nfs/dbraw/zinc/27/26/62/175272662.db2.gz	CLNDJDXZHVDJHC-UHFFFAOYSA-N	-1	0	281.318	1.010	50	30		CDEARM
O=C1CSC(=S)N1/N=C\c1ccc([O-])c([N+](=O)[O-])c1	ZINC000015724496	356422618	/nfs/dbraw/zinc/42/26/18/356422618.db2.gz	SXMCJSLCSAKPNR-WCIBSUBMSA-N	-1	0	297.317	1.495	50	30		CDEARM
C=CCN1C(=O)[C@H](CC(=O)[O-])S/C1=N/c1nccs1	ZINC000100746775	356821380	/nfs/dbraw/zinc/82/13/80/356821380.db2.gz	KNNHITMMQOZDMX-PWARDMBESA-N	-1	0	297.361	1.735	50	30		CDEARM
CC(=Cc1cc(C#N)n(C)c1)c1nc(C)c(C#N)c(=O)[n-]1	ZINC000193608380	358308916	/nfs/dbraw/zinc/30/89/16/358308916.db2.gz	VDPBHINDFDTNET-WTKPLQERSA-N	-1	0	279.303	1.721	50	30		CDEARM
Cc1[n-][nH]c(=O)c1N=Nc1cccc(C(F)(F)F)c1	ZINC000013396462	374669927	/nfs/dbraw/zinc/66/99/27/374669927.db2.gz	MMAVKGDMWRUVRF-UHFFFAOYSA-N	-1	0	270.214	1.979	50	30		CDEARM
COc1ccc(C=Nn2c(=O)c(C)n[n-]c2=S)cc1O	ZINC000001295349	375652677	/nfs/dbraw/zinc/65/26/77/375652677.db2.gz	MOYKPURJZYBBOL-AWNIVKPZSA-N	-1	0	292.320	1.206	50	30		CDEARM
C=CCOc1cccc(NC(=O)[C@@H]2C[C@H]2C(=O)[O-])c1	ZINC000192925193	378230759	/nfs/dbraw/zinc/23/07/59/378230759.db2.gz	ZJKSZTGAEPFOFY-VXGBXAGGSA-N	-1	0	261.277	1.911	50	30		CDEARM
CNC(=O)C(C#N)=C([O-])c1cccc(OC(F)(F)F)c1	ZINC000101671878	397809749	/nfs/dbraw/zinc/80/97/49/397809749.db2.gz	XFRVGHNJUDILSB-VIFPVBQESA-N	-1	0	286.209	1.654	50	30		CDEARM
COC[C@@H](C)NC(=O)C(C#N)=C([O-])c1cccc(OC)c1	ZINC000103502950	397906801	/nfs/dbraw/zinc/90/68/01/397906801.db2.gz	QAZHMFVJUODEHJ-MFKMUULPSA-N	-1	0	290.319	1.169	50	30		CDEARM
Cc1nc(C([O-])=C(C#N)C(=O)NC(C)C)cs1	ZINC000103935270	397924877	/nfs/dbraw/zinc/92/48/77/397924877.db2.gz	BCSYELUGOBTAJQ-MRVPVSSYSA-N	-1	0	251.311	1.299	50	30		CDEARM
O=C([O-])[C@H](NC=C1C(=O)CCCC1=O)c1ccccc1	ZINC000020365689	171164074	/nfs/dbraw/zinc/16/40/74/171164074.db2.gz	MYDNCMLGFDRHBO-CQSZACIVSA-N	-1	0	273.288	1.608	50	30		CDEARM
Cc1cc([O-])c(C(=O)/C=C/c2cnn(C)c2)c(=O)o1	ZINC000020606647	171267049	/nfs/dbraw/zinc/26/70/49/171267049.db2.gz	IXUKWPITDYLDFI-ONEGZZNKSA-N	-1	0	260.249	1.283	50	30		CDEARM
C#CCCC1(CCC(=O)N2C[C@@H](C(=O)[O-])C3(CC3)C2)N=N1	ZINC000952876355	910431829	/nfs/dbraw/zinc/43/18/29/910431829.db2.gz	NYYVRNLDQDUJSN-NSHDSACASA-N	-1	0	289.335	1.665	50	30		CDEARM
CC(=O)n1[n-]c(=N)c(N=Nc2cccc(Cl)c2C)c1N	ZINC000016949004	358697199	/nfs/dbraw/zinc/69/71/99/358697199.db2.gz	SNDFMGCTPHNJBQ-MASBFAJXSA-N	-1	0	292.730	1.738	50	30		CDEARM
Cc1nnc([O-])n(N=Cc2ccc(Cl)cc2)c1=O	ZINC000409415857	358920458	/nfs/dbraw/zinc/92/04/58/358920458.db2.gz	NBMGTDOMKUYCRF-UHFFFAOYSA-N	-1	0	264.672	1.188	50	30		CDEARM
O=C([O-])[C@@H]1CC(=O)N=C(NN=C2CCCCC2)S1	ZINC000000167982	359193310	/nfs/dbraw/zinc/19/33/10/359193310.db2.gz	HUURHTSEIJRTGI-QMMMGPOBSA-N	-1	0	269.326	1.369	50	30		CDEARM
C/C(=N\N=C1\NC(=O)[C@H](CC(=O)[O-])S1)c1ccc(C)o1	ZINC000001438327	360787649	/nfs/dbraw/zinc/78/76/49/360787649.db2.gz	IJSPRUOPSUHKRI-DUJAKZANSA-N	-1	0	295.320	1.374	50	30		CDEARM
C=CCNC(=O)[C@H](C)Oc1ccc(C)cc1C(=O)[O-]	ZINC000013316019	361321024	/nfs/dbraw/zinc/32/10/24/361321024.db2.gz	CORIYESENKAIHV-JTQLQIEISA-N	-1	0	263.293	1.763	50	30		CDEARM
C=CCNS(=O)(=O)c1cc(OC)c(Cl)cc1OC	ZINC000016626340	361436029	/nfs/dbraw/zinc/43/60/29/361436029.db2.gz	UIGCJWNGXXUPLB-UHFFFAOYSA-N	-1	0	291.756	1.822	50	30		CDEARM
CCOc1ccc(C=NNc2nnc(C)c(=O)[n-]2)cc1	ZINC000253532004	373885600	/nfs/dbraw/zinc/88/56/00/373885600.db2.gz	GGXHHXQOQRXCOA-UHFFFAOYSA-N	-1	0	273.296	1.730	50	30		CDEARM
N#CC1(CS(=O)(=O)[N-]C(=O)C2CCCCC2)CC1	ZINC000096013366	375050718	/nfs/dbraw/zinc/05/07/18/375050718.db2.gz	IZEBPBZFZKIKKL-UHFFFAOYSA-N	-1	0	270.354	1.316	50	30		CDEARM
CCC[C@H](NC(=O)C=Cc1cccc(C#N)c1)c1nnn[n-]1	ZINC000492069568	253149495	/nfs/dbraw/zinc/14/94/95/253149495.db2.gz	SNMYQEVAJWYVKA-WSROAFLRSA-N	-1	0	296.334	1.742	50	30		CDEARM
COc1ccc(C([O-])=C(C#N)C(=O)N2CCCC2)cc1	ZINC000103502568	397906275	/nfs/dbraw/zinc/90/62/75/397906275.db2.gz	RGLZJNWNKBKVSS-CYBMUJFWSA-N	-1	0	272.304	1.640	50	30		CDEARM
COC[C@H](C)NC(=O)C(C#N)=C([O-])c1ccccc1	ZINC000103502930	397906712	/nfs/dbraw/zinc/90/67/12/397906712.db2.gz	WISXCADVAANQER-CMPLNLGQSA-N	-1	0	260.293	1.160	50	30		CDEARM
COC[C@@H](C)NC(=O)C(C#N)=C([O-])c1ccccc1	ZINC000103502932	397907008	/nfs/dbraw/zinc/90/70/08/397907008.db2.gz	WISXCADVAANQER-ZYHUDNBSSA-N	-1	0	260.293	1.160	50	30		CDEARM
Cc1cc(/C=C/C(=O)c2c([O-])cc(C)oc2=O)n(C)n1	ZINC000020607139	171267207	/nfs/dbraw/zinc/26/72/07/171267207.db2.gz	FIHTYQLBNWEFOR-SNAWJCMRSA-N	-1	0	274.276	1.592	50	30		CDEARM
N#Cc1cc([N+](=O)[O-])ccc1N1CCC(C(=O)[O-])CC1	ZINC000006670294	303185785	/nfs/dbraw/zinc/18/57/85/303185785.db2.gz	IZRIZZIYBBRYBI-UHFFFAOYSA-N	-1	0	275.264	1.767	50	30		CDEARM
N#Cc1nc([C@H](C#N)c2ccccc2)c(=O)[n-]c1C#N	ZINC000098071537	526788177	/nfs/dbraw/zinc/78/81/77/526788177.db2.gz	AYYZLKCHDZQMQF-SNVBAGLBSA-N	-1	0	261.244	1.169	50	30		CDEARM
CC[C@]1(C)NC(=O)N(N=Cc2ccccc2C(=O)[O-])C1=O	ZINC000254702992	829508481	/nfs/dbraw/zinc/50/84/81/829508481.db2.gz	JZYRZIYTLIAGAB-AWEZNQCLSA-N	-1	0	289.291	1.439	50	30		CDEARM
C#CCCC1(CCC(=O)N2CCOC[C@H]2CC(=O)[O-])N=N1	ZINC000952879724	910437626	/nfs/dbraw/zinc/43/76/26/910437626.db2.gz	ALVRDPFQKKNNMR-LLVKDONJSA-N	-1	0	293.323	1.044	50	30		CDEARM
CCc1noc(CC)c1CC(=O)[N-]S(C)(=O)=O	ZINC000096478709	230380100	/nfs/dbraw/zinc/38/01/00/230380100.db2.gz	BAPZQZKMCVSTMK-UHFFFAOYSA-N	-1	0	260.315	1.258	50	30		CDEARM
COc1cc(/C=N/OC(C)=O)cc([N+](=O)[O-])c1[O-]	ZINC000085409900	179056372	/nfs/dbraw/zinc/05/63/72/179056372.db2.gz	CEVHMGVOMXCJBG-VZUCSPMQSA-N	-1	0	254.198	1.206	50	30		CDEARM
CCOC(=O)c1cc(C#N)c(N)c(Br)c1[O-]	ZINC000000163856	355892460	/nfs/dbraw/zinc/89/24/60/355892460.db2.gz	NANCNLMFQRZPMI-UHFFFAOYSA-N	-1	0	285.097	1.785	50	30		CDEARM
Cc1ccnc([N-]S(=O)(=O)c2cccc(C#N)c2)n1	ZINC000097114330	357984297	/nfs/dbraw/zinc/98/42/97/357984297.db2.gz	DWHLIVMRJGTDEH-UHFFFAOYSA-N	-1	0	274.305	1.458	50	30		CDEARM
C=CCNC(=S)[N-]S(=O)(=O)c1ccc(Cl)s1	ZINC000002699685	358727801	/nfs/dbraw/zinc/72/78/01/358727801.db2.gz	WJELHQDHWMZTPX-UHFFFAOYSA-N	-1	0	296.826	1.740	50	30		CDEARM
C[C@](O)(CNc1c(F)cc(C#N)cc1F)C(=O)[O-]	ZINC000263541275	359018955	/nfs/dbraw/zinc/01/89/55/359018955.db2.gz	CXHPVESXOHHKBZ-NSHDSACASA-N	-1	0	256.208	1.084	50	30		CDEARM
CSc1[n-]c(=O)c(C(=O)N(C)CC2CCC2)cc1C#N	ZINC000111649548	374196314	/nfs/dbraw/zinc/19/63/14/374196314.db2.gz	VNJPCAKVHIYWCT-UHFFFAOYSA-N	-1	0	291.376	1.841	50	30		CDEARM
C=CCNC(=S)N/N=C\c1ccc([O-])c([N+](=O)[O-])c1	ZINC000012363493	374494388	/nfs/dbraw/zinc/49/43/88/374494388.db2.gz	DJABYGMFSRZEDA-QPEQYQDCSA-N	-1	0	280.309	1.284	50	30		CDEARM
CCCOC(=O)CSc1[n-]c(=O)cc(C)c1C#N	ZINC000003903096	375811948	/nfs/dbraw/zinc/81/19/48/375811948.db2.gz	GINABNQWXZHVFU-UHFFFAOYSA-N	-1	0	266.322	1.600	50	30		CDEARM
CCCOc1ccc(CN=Nc2nnn[n-]2)cc1OC	ZINC000004150951	375896098	/nfs/dbraw/zinc/89/60/98/375896098.db2.gz	IYYPCZAWSUKDRC-MDWZMJQESA-N	-1	0	276.300	1.443	50	30		CDEARM
C=CCNC(=O)C(C#N)=C([O-])c1sccc1CC	ZINC000101257897	397782168	/nfs/dbraw/zinc/78/21/68/397782168.db2.gz	INBRYQIKFSCMQW-SNVBAGLBSA-N	-1	0	262.334	1.935	50	30		CDEARM
COc1ccc(OC)c(N=Nc2c(C)[n-][nH]c2=O)c1	ZINC000005818072	170143342	/nfs/dbraw/zinc/14/33/42/170143342.db2.gz	JNAXAMIKGOLNOX-UHFFFAOYSA-N	-1	0	262.269	1.818	50	30		CDEARM
COc1ccc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)cc1	ZINC000110516901	424644502	/nfs/dbraw/zinc/64/45/02/424644502.db2.gz	GNFWIWOKPJMDBY-GTBONMDNSA-N	-1	0	286.283	1.923	50	30		CDEARM
C[C@]1(C(=O)[O-])CCN(C(=O)c2cccc(CC#N)c2)C1	ZINC000262138972	328145495	/nfs/dbraw/zinc/14/54/95/328145495.db2.gz	JTLSDSLPYVAUMD-HNNXBMFYSA-N	-1	0	272.304	1.689	50	30		CDEARM
C=C(C)C[C@H](C)C(=O)N1C[C@@H](OC)C[C@H]1CC(=O)[O-]	ZINC000263148796	330045894	/nfs/dbraw/zinc/04/58/94/330045894.db2.gz	URLODKLBWCEFBB-SRVKXCTJSA-N	-1	0	269.341	1.679	50	30		CDEARM
Cn1cccc1C(=O)[N-]S(=O)(=O)c1cccc(F)c1	ZINC000096442697	230373576	/nfs/dbraw/zinc/37/35/76/230373576.db2.gz	TUNZAFVAYYAFRA-UHFFFAOYSA-N	-1	0	282.296	1.858	50	30		CDEARM
Cn1nnc([C@@H](O)C/N=C/c2c(O)ccc3ccccc32)n1	ZINC000001030164	342474031	/nfs/dbraw/zinc/47/40/31/342474031.db2.gz	AFZOMYRMCJUWLE-BRSWLGOBSA-N	-1	0	297.318	1.221	50	30		CDEARM
Cc1cc(S(=O)(=O)[N-]c2c(C#N)cnn2C)ccc1F	ZINC000095945726	185038457	/nfs/dbraw/zinc/03/84/57/185038457.db2.gz	RVPPDIDBBHFOHH-UHFFFAOYSA-N	-1	0	294.311	1.540	50	30		CDEARM
CSc1[n-]c(=O)n(-c2ccc(C)cc2)c(=O)c1C#N	ZINC000034488080	344972617	/nfs/dbraw/zinc/97/26/17/344972617.db2.gz	FZNZVMYJZWYVSG-UHFFFAOYSA-N	-1	0	273.317	1.840	50	30		CDEARM
COc1ccccc1-n1c(=O)[n-]c(SC)c(C#N)c1=O	ZINC000001660642	346171200	/nfs/dbraw/zinc/17/12/00/346171200.db2.gz	NIYBXQOPFOFODO-UHFFFAOYSA-N	-1	0	289.316	1.540	50	30		CDEARM
CN1C(=O)C[C@H](C(=O)[O-])S/C1=N\c1cccc(F)c1	ZINC000013689288	356353946	/nfs/dbraw/zinc/35/39/46/356353946.db2.gz	MMEVBVKZHCNGEA-USPJWIJHSA-N	-1	0	282.296	1.862	50	30		CDEARM
C/C(=N\N=C1/NC(=O)C[C@H](C(=O)[O-])S1)c1cccs1	ZINC000004524632	356388189	/nfs/dbraw/zinc/38/81/89/356388189.db2.gz	KTCLSQQHLVLHNU-VVESDKHQSA-N	-1	0	297.361	1.534	50	30		CDEARM
C[C@@H](CS)C(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-]	ZINC000028260235	295999549	/nfs/dbraw/zinc/99/95/49/295999549.db2.gz	GDGPVPYTXHNOSO-CABZTGNLSA-N	-1	0	279.361	1.590	50	30		CDEARM
CNC(=O)C(C#N)=C([O-])c1ccc2ccccc2c1	ZINC000103508176	397906629	/nfs/dbraw/zinc/90/66/29/397906629.db2.gz	VZSLTHDXZFZOMV-CYBMUJFWSA-N	-1	0	252.273	1.908	50	30		CDEARM
COC[C@@H](C)NC(=O)C(C#N)=C([O-])c1cccc(F)c1	ZINC000103502991	397906951	/nfs/dbraw/zinc/90/69/51/397906951.db2.gz	CMQAARGQRNRUFH-BXKDBHETSA-N	-1	0	278.283	1.299	50	30		CDEARM
CCOCCCNC(=O)N[C@H](C(=O)[O-])[C@@H](C)CC	ZINC000082076666	286039380	/nfs/dbraw/zinc/03/93/80/286039380.db2.gz	DYYPRDFAPHNLMX-UWVGGRQHSA-N	-1	0	260.334	1.416	50	30		CDEARM
C=CCOC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)[O-]	ZINC000002386585	169789712	/nfs/dbraw/zinc/78/97/12/169789712.db2.gz	WZMNSEVEWIDHND-MRVPVSSYSA-N	-1	0	273.285	1.084	50	30		CDEARM
CC1(C)Oc2ccc3ccc(=O)oc3c2/C(=N/[O-])C1=O	ZINC000012657918	281421997	/nfs/dbraw/zinc/42/19/97/281421997.db2.gz	DSUNMPUXAFGTNW-PTNGSMBKSA-N	-1	0	273.244	1.711	50	30	biogenic	CDEARM
N#CC1(C(=O)N2CCC[C@@H]2CC(=O)[O-])CCCC1	ZINC000263013204	330038835	/nfs/dbraw/zinc/03/88/35/330038835.db2.gz	SIWCLLMMTMFGKZ-SNVBAGLBSA-N	-1	0	250.298	1.536	50	30		CDEARM
N#CC1(C(=O)NCCCCCC(=O)[O-])CCCC1	ZINC000095989468	185057849	/nfs/dbraw/zinc/05/78/49/185057849.db2.gz	BDTHXFFNPAJCJL-UHFFFAOYSA-N	-1	0	252.314	1.832	50	30		CDEARM
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)c1cccc(C#N)c1	ZINC000097022285	185153594	/nfs/dbraw/zinc/15/35/94/185153594.db2.gz	LLDJHMCXSMXBKR-LBPRGKRZSA-N	-1	0	296.348	1.336	50	30		CDEARM
N#C[C@]12C(=O)[N-]C(=O)[C@@]1(C#N)[C@H]2c1ccc(F)cc1	ZINC000019933216	348745937	/nfs/dbraw/zinc/74/59/37/348745937.db2.gz	RCOOLUBIRSDEAZ-CGJHYDBRSA-N	-1	0	255.208	1.440	50	30		CDEARM
COC[C@@H](C)NC(=O)C(C#N)=C([O-])c1ccc(C)c(F)c1	ZINC000103503048	397906634	/nfs/dbraw/zinc/90/66/34/397906634.db2.gz	UGSGIRKMTQEXLI-PWSUYJOCSA-N	-1	0	292.310	1.608	50	30		CDEARM
Cc1nc(C(=O)N2CCC[C@@H](C(=O)[O-])C2)ccc1C#N	ZINC000037436036	173206584	/nfs/dbraw/zinc/20/65/84/173206584.db2.gz	MDRZCKNZKUXZCE-LLVKDONJSA-N	-1	0	273.292	1.199	50	30		CDEARM
N#Cc1c(=O)[n-]c(=O)[nH]c1-c1cccc(Br)c1	ZINC000002843253	260010277	/nfs/dbraw/zinc/01/02/77/260010277.db2.gz	GEADRONITIHPFL-UHFFFAOYSA-N	-1	0	292.092	1.364	50	30		CDEARM
CC(C)(C)[C@H](C#N)NC(=O)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000097052678	278522517	/nfs/dbraw/zinc/52/25/17/278522517.db2.gz	POEYAIBBDYYMDQ-NSHDSACASA-N	-1	0	277.280	1.968	50	30		CDEARM
CC(C)CNS(=O)(=O)[N-]C(=O)c1c[nH]c2ccccc12	ZINC000012857913	528066702	/nfs/dbraw/zinc/06/67/02/528066702.db2.gz	VTXQHNWPFBXHMG-UHFFFAOYSA-N	-1	0	295.364	1.963	50	30		CDEARM
CNC(=S)N=NCc1cc(OC)c([O-])c([N+](=O)[O-])c1	ZINC000001905310	620497333	/nfs/dbraw/zinc/49/73/33/620497333.db2.gz	HFFOKXLIFPSLBW-UHFFFAOYSA-N	-1	0	284.297	1.148	50	30		CDEARM
CC(=O)NCCC/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000028185586	629066370	/nfs/dbraw/zinc/06/63/70/629066370.db2.gz	MAVHWDVUXGVJRF-AUWJEWJLSA-N	-1	0	299.714	1.899	50	30		CDEARM
C[C@@H](CC#N)[C@@H](NC(=O)OCc1ccccc1)C(=O)[O-]	ZINC000700402845	849928326	/nfs/dbraw/zinc/92/83/26/849928326.db2.gz	JIIKNXVKSNGGRQ-CMPLNLGQSA-N	-1	0	276.292	1.916	50	30		CDEARM
Cc1[n-]n(-c2ccccc2)c(=O)c1C=NNC(N)=S	ZINC000254763198	850488006	/nfs/dbraw/zinc/48/80/06/850488006.db2.gz	FKNYJECWMCTXEA-UHFFFAOYSA-N	-1	0	275.337	1.053	50	30		CDEARM
C#CCCC1(CCC(=O)N2CCC=C(C(=O)[O-])C2)N=N1	ZINC000952876123	910428281	/nfs/dbraw/zinc/42/82/81/910428281.db2.gz	AYVGJJRHTKNWMF-UHFFFAOYSA-N	-1	0	275.308	1.585	50	30		CDEARM
N#Cc1nc([C@@H](C#N)c2ccccc2)c(=O)[n-]c1C#N	ZINC000098071539	185682407	/nfs/dbraw/zinc/68/24/07/185682407.db2.gz	AYYZLKCHDZQMQF-JTQLQIEISA-N	-1	0	261.244	1.169	50	30		CDEARM
C=CC[C@@]1(C(=O)[O-])CCCN(C(=O)C2(COC)CC2)C1	ZINC000091526517	180179016	/nfs/dbraw/zinc/17/90/16/180179016.db2.gz	NOSQBPNGUUZBPX-CQSZACIVSA-N	-1	0	281.352	1.683	50	30		CDEARM
O=C([O-])CNC=C1C(=O)CC(c2ccccc2)CC1=O	ZINC000000446888	355911436	/nfs/dbraw/zinc/91/14/36/355911436.db2.gz	IYVQEMNZLUBXEK-UHFFFAOYSA-N	-1	0	273.288	1.260	50	30		CDEARM
Cc1noc(C)c1[N-]S(=O)(=O)c1cccc(C#N)c1	ZINC000084025625	357432738	/nfs/dbraw/zinc/43/27/38/357432738.db2.gz	ZYKVXJDAZYQZBT-UHFFFAOYSA-N	-1	0	277.305	1.964	50	30		CDEARM
Cc1nnc(NN=Cc2ccccc2Cl)[n-]c1=O	ZINC000253532428	373885543	/nfs/dbraw/zinc/88/55/43/373885543.db2.gz	RJADAQKCHSOGND-UHFFFAOYSA-N	-1	0	263.688	1.985	50	30		CDEARM
Brc1cccc(CN=Nc2nnn[n-]2)c1	ZINC000004150953	375896537	/nfs/dbraw/zinc/89/65/37/375896537.db2.gz	BBARPVLVHBRUQU-BJMVGYQFSA-N	-1	0	267.090	1.408	50	30		CDEARM
O=C(O[C@@H]1C/C(=N\O)C(=O)/C(=N\O)C1)c1ccccc1	ZINC000245240194	376026745	/nfs/dbraw/zinc/02/67/45/376026745.db2.gz	MZUAYSDBSKYJKQ-DOCVRJRWSA-N	-1	0	276.248	1.235	50	30		CDEARM
C/N=C1\S/C(=C/c2ccc(C(=O)[O-])cc2)C(=O)N1C	ZINC000004704689	390154758	/nfs/dbraw/zinc/15/47/58/390154758.db2.gz	OJUONNCUFFIARB-NAXUZSFSSA-N	-1	0	276.317	1.917	50	30		CDEARM
CNC(=O)C(C#N)=C([O-])c1ccc(-n2cccc2)c(F)c1	ZINC000100830505	397743777	/nfs/dbraw/zinc/74/37/77/397743777.db2.gz	TVHJXTYUPGPPNC-LLVKDONJSA-N	-1	0	285.278	1.685	50	30		CDEARM
O=c1c2ccccc2nc(NN=Cc2cccnc2)n1[O-]	ZINC000005119017	170067616	/nfs/dbraw/zinc/06/76/16/170067616.db2.gz	ARXQSRAWRHVBOL-CXUHLZMHSA-N	-1	0	281.275	1.475	50	30		CDEARM
O=c1cn[n-]c(N/N=C\c2ccc(C(F)(F)F)cc2)n1	ZINC000031843545	171649761	/nfs/dbraw/zinc/64/97/61/171649761.db2.gz	KTMVGQSJHAREDF-WCSRMQSCSA-N	-1	0	283.213	1.630	50	30		CDEARM
Cc1ccn(CC(=O)[N-]OCc2ccccc2)c(=O)c1C#N	ZINC000097094687	567904216	/nfs/dbraw/zinc/90/42/16/567904216.db2.gz	MJMUTPDSZLLEKR-UHFFFAOYSA-N	-1	0	297.314	1.276	50	30		CDEARM
C/C=C/C=C\C(=O)[N-]S(=O)(=O)c1ccccc1C#N	ZINC000103493305	617580442	/nfs/dbraw/zinc/58/04/42/617580442.db2.gz	YDWZZYHCCYKMOG-OQIXSKIXSA-N	-1	0	276.317	1.495	50	30		CDEARM
C#CCCC1(CCC(=O)NC2(C(=O)[O-])CCC2)N=N1	ZINC000952876432	910432236	/nfs/dbraw/zinc/43/22/36/910432236.db2.gz	PYDFWDAMXLQLJK-UHFFFAOYSA-N	-1	0	263.297	1.466	50	30		CDEARM
C#CCCC1(CCC(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])N=N1	ZINC000952876895	910434993	/nfs/dbraw/zinc/43/49/93/910434993.db2.gz	ZSBPQMRJKMIHCT-WDEREUQCSA-N	-1	0	277.324	1.712	50	30		CDEARM
C#CCCC1(CCC(=O)N[C@H](C(=O)[O-])C2CC2)N=N1	ZINC000952876748	910435883	/nfs/dbraw/zinc/43/58/83/910435883.db2.gz	VYVPHALOHICGIZ-NSHDSACASA-N	-1	0	263.297	1.322	50	30		CDEARM
Cc1nnc(C)n1/N=C/c1ccccc1OCC(=O)[O-]	ZINC000005603261	230369638	/nfs/dbraw/zinc/36/96/38/230369638.db2.gz	IECIACJWLXXSGW-VGOFMYFVSA-N	-1	0	274.280	1.241	50	30		CDEARM
Cc1cc(C)c(C#N)c(N2CCC(C(=O)[O-])CC2)n1	ZINC000035672435	301161921	/nfs/dbraw/zinc/16/19/21/301161921.db2.gz	DMWJTZASPCJLMH-UHFFFAOYSA-N	-1	0	259.309	1.871	50	30		CDEARM
Cc1n[n-]c(N/N=C/c2c[nH]c3ccccc23)nc1=O	ZINC000018096123	365829744	/nfs/dbraw/zinc/82/97/44/365829744.db2.gz	CKMGHRJDEKTUAC-VIZOYTHASA-N	-1	0	268.280	1.401	50	30		CDEARM
C=CCNC(=O)CCc1nnc(-c2ccc(C)cc2)[n-]c1=O	ZINC000034768817	355997544	/nfs/dbraw/zinc/99/75/44/355997544.db2.gz	HFAWVSUYOPHCCI-UHFFFAOYSA-N	-1	0	298.346	1.787	50	30		CDEARM
C=CCn1c2ccccc2c([O-])c(C(=O)NC)c1=O	ZINC000100514220	357821102	/nfs/dbraw/zinc/82/11/02/357821102.db2.gz	ZJMFSWMEYJBJKR-UHFFFAOYSA-N	-1	0	258.277	1.253	50	30		CDEARM
N#Cc1cn(Cc2ccccc2Cl)c(=O)[n-]c1=O	ZINC000000171132	373867958	/nfs/dbraw/zinc/86/79/58/373867958.db2.gz	UQWOKCLCLGNRNH-UHFFFAOYSA-N	-1	0	261.668	1.110	50	30		CDEARM
CCCS(=O)(=O)[N-]C(=O)c1cnn(C)c1-n1cccc1	ZINC000096416203	390512112	/nfs/dbraw/zinc/51/21/12/390512112.db2.gz	UTGAVBGNXIDKIT-UHFFFAOYSA-N	-1	0	296.352	1.255	50	30		CDEARM
COC[C@H](C)NC(=O)C(C#N)=C([O-])c1ccc(F)cc1	ZINC000103502890	397906278	/nfs/dbraw/zinc/90/62/78/397906278.db2.gz	UYIBPJAHDTZUKA-CABZTGNLSA-N	-1	0	278.283	1.299	50	30		CDEARM
Cc1ccc(/C=N/N=C2/NC(=O)[C@H](CC(=O)[O-])S2)cc1	ZINC000006426543	170200410	/nfs/dbraw/zinc/20/04/10/170200410.db2.gz	FPGYLUZSPUFZAQ-UQDQQJHMSA-N	-1	0	291.332	1.391	50	30		CDEARM
CC(=O)C1=C(O)C(=O)N([C@H](C)C(=O)[O-])[C@@H]1c1ccccc1	ZINC000020112658	277933032	/nfs/dbraw/zinc/93/30/32/277933032.db2.gz	PVIOMRJMVNJYNK-PRHODGIISA-N	-1	0	289.287	1.444	50	30	biogenic	CDEARM
N=C(N)NN=Cc1ccc(-c2cccc(C(=O)[O-])c2)o1	ZINC000027904998	303219806	/nfs/dbraw/zinc/21/98/06/303219806.db2.gz	SBQSZEFYGKBQNB-FRKPEAEDSA-N	-1	0	272.264	1.462	50	30		CDEARM
O=C([N-]S(=O)(=O)c1ccncc1)[C@H]1CC1(Cl)Cl	ZINC000084615170	483298726	/nfs/dbraw/zinc/29/87/26/483298726.db2.gz	WLMOZSMIOIBEME-SSDOTTSWSA-N	-1	0	295.147	1.921	50	30		CDEARM
C#CCCC1(CCC(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)N=N1	ZINC000952878985	910434382	/nfs/dbraw/zinc/43/43/82/910434382.db2.gz	LBXYEPOFEQXPFT-VXGBXAGGSA-N	-1	0	291.351	1.911	50	30		CDEARM
C#CCCC1(CCC(=O)N[C@H]2CCC[C@H]2C(=O)[O-])N=N1	ZINC000952876892	910435868	/nfs/dbraw/zinc/43/58/68/910435868.db2.gz	ZSBPQMRJKMIHCT-MNOVXSKESA-N	-1	0	277.324	1.712	50	30		CDEARM
CSc1c(C#N)[n-]c(=O)n(-c2ccccc2)c1=O	ZINC000000385718	295672805	/nfs/dbraw/zinc/67/28/05/295672805.db2.gz	QODPDTGNANZJTP-UHFFFAOYSA-N	-1	0	259.290	1.119	50	30		CDEARM
C[C@@](O)(CNc1ccc(C(F)(F)F)c(C#N)c1)C(=O)[O-]	ZINC000263568649	539114632	/nfs/dbraw/zinc/11/46/32/539114632.db2.gz	YRYOQWADUVDMLK-LLVKDONJSA-N	-1	0	288.225	1.825	50	30		CDEARM
CCCOc1ccc(CN=Nc2nnn[n-]2)cc1OC	ZINC000249876364	342368266	/nfs/dbraw/zinc/36/82/66/342368266.db2.gz	IYYPCZAWSUKDRC-UHFFFAOYSA-N	-1	0	276.300	1.443	50	30		CDEARM
NC(=S)N/N=C/c1ccc(-c2cccc(C(=O)[O-])c2)o1	ZINC000002306669	355966377	/nfs/dbraw/zinc/96/63/77/355966377.db2.gz	YAAQQGFFRHANNZ-VIZOYTHASA-N	-1	0	289.316	1.812	50	30		CDEARM
CCN(CC)c1ccc(CN=Nc2nnn[n-]2)c(OC)c1	ZINC000030734464	356752861	/nfs/dbraw/zinc/75/28/61/356752861.db2.gz	VZYUNGKSAIKERD-ZROIWOOFSA-N	-1	0	289.343	1.501	50	30		CDEARM
CC(C)=CC(=O)[N-]S(=O)(=O)c1ccc(N)cc1	ZINC000000002093	356957311	/nfs/dbraw/zinc/95/73/11/356957311.db2.gz	XRVJPLDTMUSSDE-UHFFFAOYSA-N	-1	0	254.311	1.880	50	30	in-man	CDEARM
COc1ccc(/N=C2\S[C@@H](CC(=O)[O-])C(=O)N2C)cc1	ZINC000013898501	357432716	/nfs/dbraw/zinc/43/27/16/357432716.db2.gz	OCUQUUNJEWLFFE-DZOVYVGFSA-N	-1	0	294.332	1.731	50	30		CDEARM
CN1C(=O)C[C@@H](C(=O)[O-])S/C1=N/c1cccc(F)c1	ZINC000100263451	358825341	/nfs/dbraw/zinc/82/53/41/358825341.db2.gz	MMEVBVKZHCNGEA-DMPSHJKHSA-N	-1	0	282.296	1.862	50	30		CDEARM
C/C(=N/Cc1ccccc1)c1c([O-])[nH]c(=O)sc1=O	ZINC000225368256	359583093	/nfs/dbraw/zinc/58/30/93/359583093.db2.gz	PFGXESHFQSWQIX-ZSOIEALJSA-N	-1	0	276.317	1.511	50	30		CDEARM
CCCCCCCCCS(=O)(=O)c1nnc(N)[n-]1	ZINC000101653529	364432867	/nfs/dbraw/zinc/43/28/67/364432867.db2.gz	UIUGVNRKXWEXBY-UHFFFAOYSA-N	-1	0	274.390	1.911	50	30		CDEARM
O=C1CCCC(=O)C1=C([O-])C=CNc1ccccc1O	ZINC000100460762	374157464	/nfs/dbraw/zinc/15/74/64/374157464.db2.gz	TUZOSQQFZUAUBP-HJWRWDBZSA-N	-1	0	273.288	1.825	50	30		CDEARM
CS(=O)(=O)[N-]C(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F	ZINC000096441801	533309032	/nfs/dbraw/zinc/30/90/32/533309032.db2.gz	GLFNNQUGCMKUQS-APPZFPTMSA-N	-1	0	275.276	1.984	50	30		CDEARM
O=c1c2ccccc2nc(N=NCc2cccc(O)c2)n1[O-]	ZINC000005093994	170065819	/nfs/dbraw/zinc/06/58/19/170065819.db2.gz	QFYWGPYGKSXAMT-CXUHLZMHSA-N	-1	0	296.286	1.785	50	30		CDEARM
O=C([O-])C[C@H]1S/C(=N/N=C/c2cccs2)NC1=O	ZINC000005582307	170116031	/nfs/dbraw/zinc/11/60/31/170116031.db2.gz	FALAOKLSBBVLDI-IGCGCMMHSA-N	-1	0	283.334	1.144	50	30		CDEARM
CN1C(=O)CS/C1=N\c1ccc(C(=O)[O-])cc1	ZINC000100264158	289816772	/nfs/dbraw/zinc/81/67/72/289816772.db2.gz	CNLOWWANPPCFLQ-QXMHVHEDSA-N	-1	0	250.279	1.578	50	30		CDEARM
N#C[C@]12C(=O)[N-]C(=O)[C@@]1(C#N)C2c1ccccc1Cl	ZINC000018208090	303173703	/nfs/dbraw/zinc/17/37/03/303173703.db2.gz	DRMRIWSSOXILTJ-MVCUKOFQSA-N	-1	0	271.663	1.114	50	30		CDEARM
NC(=S)N/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000006219614	303353387	/nfs/dbraw/zinc/35/33/87/303353387.db2.gz	UPEJQMRSSGGAOC-QDEBKDIKSA-N	-1	0	274.689	1.121	50	30		CDEARM
O=C([O-])c1cc(C#CCO)ccc1Br	ZINC000536951307	330382296	/nfs/dbraw/zinc/38/22/96/330382296.db2.gz	RXKJTDGZBHRPKJ-UHFFFAOYSA-N	-1	0	255.067	1.491	50	30		CDEARM
COc1ccc(/C(C)=N\Nc2nc(=O)c(C)n[n-]2)cc1	ZINC000018210866	366259581	/nfs/dbraw/zinc/25/95/81/366259581.db2.gz	JHRHVFILLIOMNN-NVNXTCNLSA-N	-1	0	273.296	1.318	50	30		CDEARM
O=C([O-])[C@@H](Cc1ccccc1)NC=CC(=O)C(F)(F)F	ZINC000100309838	358827375	/nfs/dbraw/zinc/82/73/75/358827375.db2.gz	MLIIENMBDGAIEZ-JYESYGNLSA-N	-1	0	287.237	1.917	50	30		CDEARM
C=CCn1c2nc(C)ccc2c([O-])c(C(=O)OCC)c1=O	ZINC000100227121	359371851	/nfs/dbraw/zinc/37/18/51/359371851.db2.gz	CMZZZWGLBZFQHK-UHFFFAOYSA-N	-1	0	288.303	1.773	50	30		CDEARM
CCOC(=O)C(C#N)=N[N-]c1n[nH]c(C)c1C(=O)OCC	ZINC000252594816	374250486	/nfs/dbraw/zinc/25/04/86/374250486.db2.gz	BVBALXKFDKHPMZ-MRVPVSSYSA-N	-1	0	293.283	1.434	50	30		CDEARM
Cc1ccc2c(c1)C(=O)/C(=C/c1cn(CC(=O)[O-])nn1)CC2	ZINC000606441605	375823211	/nfs/dbraw/zinc/82/32/11/375823211.db2.gz	YYXKMMPGTCBNKD-KPKJPENVSA-N	-1	0	297.314	1.884	50	30		CDEARM
O=C([O-])c1cc(-c2ccc(/C=N/n3cnnc3)o2)ccc1O	ZINC000001030377	169686600	/nfs/dbraw/zinc/68/66/00/169686600.db2.gz	MELGJDKJHFOWDU-UBKPWBPPSA-N	-1	0	298.258	1.824	50	30		CDEARM
Cc1ccoc1C([O-])=C(C#N)C(=O)CCc1cnn(C)c1	ZINC000100830722	397743785	/nfs/dbraw/zinc/74/37/85/397743785.db2.gz	AXYWVCMITWFUON-LBPRGKRZSA-N	-1	0	285.303	1.846	50	30		CDEARM
CC(=O)C1=C(O)C(=O)N(CC(=O)[O-])[C@H]1c1ccccc1F	ZINC000100095855	398077596	/nfs/dbraw/zinc/07/75/96/398077596.db2.gz	OLZOENZBRJAOEO-VNKGSWCUSA-N	-1	0	293.250	1.195	50	30		CDEARM
CCOC(=O)c1c(Br)c(C)[n-]c(=O)c1C#N	ZINC000008672883	170344765	/nfs/dbraw/zinc/34/47/65/170344765.db2.gz	XAJJLBJTHIWPAH-UHFFFAOYSA-N	-1	0	285.097	1.907	50	30		CDEARM
C[C@]1(C#N)CCCN(Cc2cccc(C(=O)[O-])n2)C1	ZINC000534659742	328342417	/nfs/dbraw/zinc/34/24/17/328342417.db2.gz	PSDGPFFAQFMBHD-CQSZACIVSA-N	-1	0	259.309	1.905	50	30		CDEARM
C=CCn1c(=O)c2ccccc2nc1SCC(=O)[O-]	ZINC000000280723	527285402	/nfs/dbraw/zinc/28/54/02/527285402.db2.gz	TXJYLJLBDUXVPK-UHFFFAOYSA-N	-1	0	276.317	1.759	50	30		CDEARM
CC[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccc(C#N)cc1	ZINC000096010443	185064915	/nfs/dbraw/zinc/06/49/15/185064915.db2.gz	IWPNXJVDISQMEK-SECBINFHSA-N	-1	0	266.322	1.416	50	30		CDEARM
CC(=NN=C1NC(=O)[C@@H](CC(=O)[O-])S1)c1ccco1	ZINC000006185344	539069036	/nfs/dbraw/zinc/06/90/36/539069036.db2.gz	NWYKGPYKLJWIEB-NWKJQJTJSA-N	-1	0	281.293	1.906	50	30		CDEARM
O=C1[N-]C(=O)C(=CC=NNc2ccccc2)C(=O)N1	ZINC000002161437	355962535	/nfs/dbraw/zinc/96/25/35/355962535.db2.gz	RKTXIZJDMRTMRM-NTUHNPAUSA-N	-1	0	258.237	1.217	50	30		CDEARM
C[C@@H](CNC(=O)N=c1[n-]n(C)cc1C#N)c1nccs1	ZINC000612573609	360129544	/nfs/dbraw/zinc/12/95/44/360129544.db2.gz	SUVXJVDGTPLNER-QMMMGPOBSA-N	-1	0	290.352	1.095	50	30		CDEARM
C=CCn1nc(CNc2cccc(OC)c2)[n-]c1=O	ZINC000040267420	372894983	/nfs/dbraw/zinc/89/49/83/372894983.db2.gz	CREZTXPTIMVOSG-UHFFFAOYSA-N	-1	0	260.297	1.378	50	30		CDEARM
CO/N=C/[C@H](/C=N/[O-])C(=O)Nc1ccc(Cl)cc1	ZINC000004039153	372948047	/nfs/dbraw/zinc/94/80/47/372948047.db2.gz	FVZSKFGAKPHYID-GYZCDBRXSA-N	-1	0	269.688	1.987	50	30		CDEARM
Cc1nnc([S-])n(N=Cc2cccc(Cl)c2)c1=O	ZINC000254868270	375753896	/nfs/dbraw/zinc/75/38/96/375753896.db2.gz	AAZNQHSIEWHLSC-UHFFFAOYSA-N	-1	0	280.740	1.771	50	30		CDEARM
CC(=O)CSc1sc2c([nH]c(=O)cc2[O-])c1C#N	ZINC000004945408	170043486	/nfs/dbraw/zinc/04/34/86/170043486.db2.gz	SYGNTFLAOAYLCB-UHFFFAOYSA-N	-1	0	280.330	1.848	50	30		CDEARM
Cc1n[n-]c(N/N=C/c2c(O)ccc3ccccc32)nc1=O	ZINC000008763411	170354940	/nfs/dbraw/zinc/35/49/40/170354940.db2.gz	JRIQEJHWIVZQGV-LZYBPNLTSA-N	-1	0	295.302	1.778	50	30		CDEARM
Cc1cc([O-])c(C(=O)/C=C/c2ccnn2C)c(=O)o1	ZINC000020607141	171267220	/nfs/dbraw/zinc/26/72/20/171267220.db2.gz	XVYPMECFVSSCQL-ONEGZZNKSA-N	-1	0	260.249	1.283	50	30		CDEARM
COc1cc(-c2ccc(C#N)c(=O)[n-]2)cc(OC)c1OC	ZINC000031815080	277793201	/nfs/dbraw/zinc/79/32/01/277793201.db2.gz	MKXUDPKAKUJRST-UHFFFAOYSA-N	-1	0	286.287	1.939	50	30		CDEARM
CC1=CC(=O)C(=C([O-])C=Cc2ccsc2)C(=O)O1	ZINC000111684753	678285014	/nfs/dbraw/zinc/28/50/14/678285014.db2.gz	RYWPDRBUCCDQJR-DLGQBQFBSA-N	-1	0	262.286	1.976	50	30		CDEARM
O=C([N-]S(=O)(=O)Cc1ccon1)[C@H]1CC1(Cl)Cl	ZINC000096446460	230374778	/nfs/dbraw/zinc/37/47/78/230374778.db2.gz	KYRVEGSTEPLEIF-ZCFIWIBFSA-N	-1	0	299.135	1.655	50	30		CDEARM
CC1(C)[C@@H](C(=O)[O-])[C@@H]1C(=O)Nc1ccccc1C#N	ZINC000061721769	362097173	/nfs/dbraw/zinc/09/71/73/362097173.db2.gz	HRJIVQUOAHVIQB-GHMZBOCLSA-N	-1	0	258.277	1.854	50	30		CDEARM
C=CCN(CC(=O)[O-])C(=O)c1cc(Cl)cn1C	ZINC000092462574	180390688	/nfs/dbraw/zinc/39/06/88/180390688.db2.gz	MBWNFUMWWNUEPA-UHFFFAOYSA-N	-1	0	256.689	1.391	50	30		CDEARM
C/C(=N\N=C1\NC(=O)[C@@H](CC(=O)[O-])S1)c1cccs1	ZINC000004616378	356038609	/nfs/dbraw/zinc/03/86/09/356038609.db2.gz	PBLZEOZJPKEWKF-VVESDKHQSA-N	-1	0	297.361	1.534	50	30		CDEARM
COC(=O)C(C#N)=N[N-]c1cc([N+](=O)[O-])ccc1OC	ZINC000012371136	356295800	/nfs/dbraw/zinc/29/58/00/356295800.db2.gz	QKDTWEGKBWSMLI-ZROIWOOFSA-N	-1	0	278.224	1.068	50	30		CDEARM
C=CCNC(=S)Nc1ccc(S(=O)(=O)[O-])cc1	ZINC000003003042	356815615	/nfs/dbraw/zinc/81/56/15/356815615.db2.gz	MHZMWHOIPLEXMU-UHFFFAOYSA-N	-1	0	272.351	1.406	50	30		CDEARM
CN1C(=O)CS/C1=N/c1cccc(C(=O)[O-])c1	ZINC000061704725	357459185	/nfs/dbraw/zinc/45/91/85/357459185.db2.gz	VPIAMVJQJJHOFF-VAWYXSNFSA-N	-1	0	250.279	1.578	50	30		CDEARM
Cc1cc(C)n(N=Cc2cc([N+](=O)[O-])ccc2[O-])c(=O)c1	ZINC000252462305	367470880	/nfs/dbraw/zinc/47/08/80/367470880.db2.gz	RJDBDQICTXNHKP-UHFFFAOYSA-N	-1	0	287.275	1.961	50	30		CDEARM
CCN(C=CC(=O)C1=C([O-])CC(C)(C)CC1=O)CC	ZINC000100673126	284134547	/nfs/dbraw/zinc/13/45/47/284134547.db2.gz	JDVOCSGBFABFFT-BQYQJAHWSA-N	-1	0	265.353	1.985	50	30		CDEARM
CC1=CC(=O)C(=C([O-])C=Cc2ccsc2)C(=O)O1	ZINC000102500508	373096250	/nfs/dbraw/zinc/09/62/50/373096250.db2.gz	RYWPDRBUCCDQJR-JDGPPOGSSA-N	-1	0	262.286	1.976	50	30		CDEARM
Cc1ccc(C([O-])=C(C#N)C(=O)N2CCSCC2)s1	ZINC000102759092	373720309	/nfs/dbraw/zinc/72/03/09/373720309.db2.gz	FEYOFNAULXPQLC-SNVBAGLBSA-N	-1	0	294.401	1.954	50	30		CDEARM
C=CC[C@]1(CO)CCCN(c2ncccc2C(=O)[O-])C1	ZINC000091563057	377896613	/nfs/dbraw/zinc/89/66/13/377896613.db2.gz	FPWBPQYJWVBWDQ-HNNXBMFYSA-N	-1	0	276.336	1.935	50	30		CDEARM
CCc1nc(SCC(=O)OC(C)C)[n-]c(=O)c1C#N	ZINC000005239053	170078423	/nfs/dbraw/zinc/07/84/23/170078423.db2.gz	YHEMHTQJSMIABG-UHFFFAOYSA-N	-1	0	281.337	1.248	50	30		CDEARM
C=CCNC(=O)Cc1c([O-])c2ccccc2[nH]c1=O	ZINC000005668019	170125300	/nfs/dbraw/zinc/12/53/00/170125300.db2.gz	DCFMPLOWUXSFQB-UHFFFAOYSA-N	-1	0	258.277	1.078	50	30		CDEARM
COCc1c(Br)c(C)[n-]c(=O)c1C#N	ZINC000008829096	170356943	/nfs/dbraw/zinc/35/69/43/170356943.db2.gz	SZELMRAWOFOSKD-UHFFFAOYSA-N	-1	0	257.087	1.876	50	30		CDEARM
CC(C)CCNC(=O)N=S(=O)([O-])c1ccccc1	ZINC000035327101	172128199	/nfs/dbraw/zinc/12/81/99/172128199.db2.gz	HYFNUPQYRWLTNZ-UHFFFAOYSA-N	-1	0	270.354	1.925	50	30		CDEARM
N#Cc1cc(C=O)cc(C(=O)[O-])c1Br	ZINC000263624130	303180479	/nfs/dbraw/zinc/18/04/79/303180479.db2.gz	NRUUQUYTZNDLEY-UHFFFAOYSA-N	-1	0	254.039	1.831	50	30		CDEARM
C[C@@]1(C(=O)[O-])CCN(C(=O)c2cccc(CC#N)c2)C1	ZINC000262138974	328145558	/nfs/dbraw/zinc/14/55/58/328145558.db2.gz	JTLSDSLPYVAUMD-OAHLLOKOSA-N	-1	0	272.304	1.689	50	30		CDEARM
C=C(C)C[C@H](C)C(=O)N1CCOC[C@@H]1CC(=O)[O-]	ZINC000263291595	330051699	/nfs/dbraw/zinc/05/16/99/330051699.db2.gz	LNLAVUQKFTTZBZ-QWRGUYRKSA-N	-1	0	255.314	1.291	50	30		CDEARM
C[C@H](CC#N)[C@@H](NC(=O)OCc1ccccc1)C(=O)[O-]	ZINC000700402849	681959775	/nfs/dbraw/zinc/95/97/75/681959775.db2.gz	JIIKNXVKSNGGRQ-ZYHUDNBSSA-N	-1	0	276.292	1.916	50	30		CDEARM
C=CC[C@@]1(C(=O)[O-])CCCN(C(=O)COC(C)C)C1	ZINC000092004098	180304290	/nfs/dbraw/zinc/30/42/90/180304290.db2.gz	LGUAUPZWCDHMPL-CQSZACIVSA-N	-1	0	269.341	1.681	50	30		CDEARM
CCOC(=O)c1[n-]c(C#N)c(C(=O)OCC)c1C	ZINC000000198455	355895508	/nfs/dbraw/zinc/89/55/08/355895508.db2.gz	QEKNGELQKIGWKC-UHFFFAOYSA-N	-1	0	250.254	1.548	50	30		CDEARM
CC(C)NC(=O)c1c([O-])c2ccccc2n(CCC#N)c1=O	ZINC000170624742	364445530	/nfs/dbraw/zinc/44/55/30/364445530.db2.gz	QYVMMOKXDGMLID-UHFFFAOYSA-N	-1	0	299.330	1.759	50	30		CDEARM
Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cn[nH]c1	ZINC000089591321	366880031	/nfs/dbraw/zinc/88/00/31/366880031.db2.gz	FMSXFXLEPKRCMH-UHFFFAOYSA-N	-1	0	262.294	1.391	50	30		CDEARM
N#Cc1nc(NC(=O)c2ccc(Cl)o2)[n-]c1C#N	ZINC000026268249	369782679	/nfs/dbraw/zinc/78/26/79/369782679.db2.gz	JSPCWIPJRHTFSN-UHFFFAOYSA-N	-1	0	261.628	1.652	50	30		CDEARM
C=CCSC(=S)[N-][C@H]1CCS(=O)(=O)C1	ZINC000334158944	370281877	/nfs/dbraw/zinc/28/18/77/370281877.db2.gz	HAWHWVYAOBWXSF-ZETCQYMHSA-P	-1	0	252.406	1.525	50	30		CDEARM
CCOC(=O)c1n[n-]n(N=Cc2ccccc2C)c1=O	ZINC000005957559	170162008	/nfs/dbraw/zinc/16/20/08/170162008.db2.gz	GUDUPLDYRZXNHP-RIYZIHGNSA-N	-1	0	274.280	1.351	50	30		CDEARM
N#CCC[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)[O-]	ZINC000007987242	170312187	/nfs/dbraw/zinc/31/21/87/170312187.db2.gz	NUMYEJKCZXZPGY-JTQLQIEISA-N	-1	0	266.684	1.827	50	30		CDEARM
C=CCNC(=S)[N-]S(=O)(=O)c1ccccc1	ZINC000009355175	170373999	/nfs/dbraw/zinc/37/39/99/170373999.db2.gz	ZDXYAAQWZYPADV-UHFFFAOYSA-N	-1	0	256.352	1.025	50	30		CDEARM
C[C@@](O)(CNc1cc(C#N)ccc1C(F)(F)F)C(=O)[O-]	ZINC000263567303	297853545	/nfs/dbraw/zinc/85/35/45/297853545.db2.gz	XJYQGAWCRWBZAL-LLVKDONJSA-N	-1	0	288.225	1.825	50	30		CDEARM
Cc1ccc(NC(=O)C2(C#N)CCOCC2)cc1C(=O)[O-]	ZINC000262527819	330019809	/nfs/dbraw/zinc/01/98/09/330019809.db2.gz	RYJBSSZGGOSQGD-UHFFFAOYSA-N	-1	0	288.303	1.952	50	30		CDEARM
C#CCCC1(CCC(=O)N2CCC[C@@H]2CC(=O)[O-])N=N1	ZINC000952876149	910432441	/nfs/dbraw/zinc/43/24/41/910432441.db2.gz	CMDCDXWXCCTOGP-LLVKDONJSA-N	-1	0	277.324	1.808	50	30		CDEARM
N#CC(C(=O)NC1CCCCC1)=C([O-])c1cocn1	ZINC000105756754	186070730	/nfs/dbraw/zinc/07/07/30/186070730.db2.gz	CBNRCSPUGJBFNG-JTQLQIEISA-N	-1	0	261.281	1.446	50	30		CDEARM
O=C1[N-]C(=O)C(C=NC(=S)Nc2ccccc2)S1	ZINC000018193187	366211140	/nfs/dbraw/zinc/21/11/40/366211140.db2.gz	HIWHCGJGQRIUPE-WUXMJOGZSA-N	-1	0	279.346	1.958	50	30		CDEARM
N#CCc1ccc(NC(=O)CSCC(=O)[O-])cc1	ZINC000000148565	355890404	/nfs/dbraw/zinc/89/04/04/355890404.db2.gz	WSHDZOFSIXVBRN-UHFFFAOYSA-N	-1	0	264.306	1.509	50	30		CDEARM
C=CCN(c1ccc(C(=O)[O-])cc1)S(C)(=O)=O	ZINC000000582938	361448985	/nfs/dbraw/zinc/44/89/85/361448985.db2.gz	UZLCOVZYUAUVLI-UHFFFAOYSA-N	-1	0	255.295	1.337	50	30		CDEARM
C[C@H](CS)C(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-]	ZINC000013599902	298872522	/nfs/dbraw/zinc/87/25/22/298872522.db2.gz	GDGPVPYTXHNOSO-SKDRFNHKSA-N	-1	0	279.361	1.590	50	30		CDEARM
CC(=O)C1=C([O-])c2ccccc2S(=O)(=O)N1C	ZINC000020589441	277933022	/nfs/dbraw/zinc/93/30/22/277933022.db2.gz	PBRUALJXPXRDHW-UHFFFAOYSA-N	-1	0	253.279	1.136	50	30		CDEARM
COc1ccc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)cc1	ZINC000028605405	295052738	/nfs/dbraw/zinc/05/27/38/295052738.db2.gz	GNFWIWOKPJMDBY-SBJJXXPASA-N	-1	0	286.283	1.923	50	30		CDEARM
N#CC1=C([O-])NC(=S)N[C@@H]1c1ccc(Cl)cc1	ZINC000017124919	303166654	/nfs/dbraw/zinc/16/66/54/303166654.db2.gz	ABMFAEYEKHNRPB-RKDXNWHRSA-N	-1	0	265.725	1.525	50	30		CDEARM
N#Cc1c(Br)cc(C=O)cc1C(=O)[O-]	ZINC000263624550	303174496	/nfs/dbraw/zinc/17/44/96/303174496.db2.gz	RMCXVLBRPXTKSQ-UHFFFAOYSA-N	-1	0	254.039	1.831	50	30		CDEARM
C=C(C)CCOC(=O)[C@H](CC(=O)[O-])NCc1ccco1	ZINC000002240335	518588874	/nfs/dbraw/zinc/58/88/74/518588874.db2.gz	ROCAOBKFCLPBFT-LBPRGKRZSA-N	-1	0	281.308	1.722	50	30		CDEARM
O=C([O-])COc1ccc(CN=Nc2ccccn2)cc1	ZINC000254630424	694373392	/nfs/dbraw/zinc/37/33/92/694373392.db2.gz	GKDUBUHUIQPIBG-UHFFFAOYSA-N	-1	0	271.276	1.991	50	30		CDEARM
CCOC([O-])=NC(=O)C(C#N)=NNc1ccc(OC)cc1	ZINC000003129154	355993782	/nfs/dbraw/zinc/99/37/82/355993782.db2.gz	SGZDFDCXEZIEKL-GZTJUZNOSA-N	-1	0	290.279	1.259	50	30		CDEARM
O=C([O-])C[C@H]1S/C(=N/N=C/c2ccc(F)cc2)NC1=O	ZINC000004380594	356029804	/nfs/dbraw/zinc/02/98/04/356029804.db2.gz	FMXAJPBZKIEHEK-ISKYKNHCSA-N	-1	0	295.295	1.222	50	30		CDEARM
O=C([O-])[C@H](Cc1ccccc1)NC=CC(=O)C(F)(F)F	ZINC000019229858	356477893	/nfs/dbraw/zinc/47/78/93/356477893.db2.gz	MLIIENMBDGAIEZ-FGEFZZPRSA-N	-1	0	287.237	1.917	50	30	biogenic	CDEARM
C=CCN([C@H](C)C(=O)[O-])S(=O)(=O)c1ccc(C)cc1	ZINC000000191714	356812646	/nfs/dbraw/zinc/81/26/46/356812646.db2.gz	VLXRDFREWCCFPY-LLVKDONJSA-N	-1	0	283.349	1.645	50	30		CDEARM
CNC(=O)C(C#N)=C([O-])c1nn(CC(C)C)cc1C(F)F	ZINC000101857146	538894395	/nfs/dbraw/zinc/89/43/95/538894395.db2.gz	LLCRVSOBBGMDPT-QMMMGPOBSA-N	-1	0	298.293	1.545	50	30		CDEARM
Cc1nc(NC[C@](C)(O)C(=O)[O-])c(Cl)cc1C#N	ZINC000263569957	359021087	/nfs/dbraw/zinc/02/10/87/359021087.db2.gz	ZUUKNJWDZFVSPL-NSHDSACASA-N	-1	0	269.688	1.163	50	30		CDEARM
C=CCNC(=O)[C@@H](C)Oc1cc(C(=O)[O-])ccc1C	ZINC000013278178	361317454	/nfs/dbraw/zinc/31/74/54/361317454.db2.gz	WKRCNJULYQOCGM-SNVBAGLBSA-N	-1	0	263.293	1.763	50	30		CDEARM
O=C(CN1C(=O)C(=N[O-])c2ccccc21)Nc1ccccc1	ZINC000252641314	370860337	/nfs/dbraw/zinc/86/03/37/370860337.db2.gz	ZBQLBUVRWZPHJN-UHFFFAOYSA-N	-1	0	295.298	1.850	50	30		CDEARM
C=CCNC(=S)NN=Cc1ccc([O-])c([N+](=O)[O-])c1	ZINC000252476892	367543822	/nfs/dbraw/zinc/54/38/22/367543822.db2.gz	DJABYGMFSRZEDA-UHFFFAOYSA-N	-1	0	280.309	1.284	50	30		CDEARM
CCC[C@@H](NC(=O)C=Cc1cccc(C#N)c1)c1nnn[n-]1	ZINC000492069567	253149443	/nfs/dbraw/zinc/14/94/43/253149443.db2.gz	SNMYQEVAJWYVKA-MEJMFZKBSA-N	-1	0	296.334	1.742	50	30		CDEARM
COc1ccc(/N=C2/S[C@@H](CC(=O)[O-])C(=O)N2C)cc1	ZINC000096488959	533251032	/nfs/dbraw/zinc/25/10/32/533251032.db2.gz	OCUQUUNJEWLFFE-NJERVBSYSA-N	-1	0	294.332	1.731	50	30		CDEARM
CC(C)NC(=O)C(C#N)=C([O-])c1ccc(Br)o1	ZINC000100871168	397746204	/nfs/dbraw/zinc/74/62/04/397746204.db2.gz	KYQPGASZPADMIP-SSDOTTSWSA-N	-1	0	299.124	1.889	50	30		CDEARM
O=C1C=C(c2ccc(Br)cc2)C(=O)N1[O-]	ZINC000004582516	280247953	/nfs/dbraw/zinc/24/79/53/280247953.db2.gz	MMEWALWCDMZPAY-UHFFFAOYSA-N	-1	0	268.066	1.591	50	30		CDEARM
N#Cc1ccc(/C=C2/SC(=O)N(CC(=O)[O-])C2=O)cc1	ZINC000004628930	303186847	/nfs/dbraw/zinc/18/68/47/303186847.db2.gz	YSPDYVUCHNSLBZ-BJMVGYQFSA-N	-1	0	288.284	1.679	50	30		CDEARM
C#CCCC1(CCC(=O)N2C[C@H](OC)C[C@H]2C(=O)[O-])N=N1	ZINC000952880312	910442464	/nfs/dbraw/zinc/44/24/64/910442464.db2.gz	AELQFPFMFMFNDU-MNOVXSKESA-N	-1	0	293.323	1.043	50	30		CDEARM
O=C([O-])C[C@@H]1SC(=NN=Cc2ccc(F)cc2)NC1=O	ZINC000252602954	361870233	/nfs/dbraw/zinc/87/02/33/361870233.db2.gz	FMXAJPBZKIEHEK-VIFPVBQESA-N	-1	0	295.295	1.222	50	30		CDEARM
O=C1/C(=N\[O-])c2ccccc2N1CN1CCCCC1	ZINC000100804715	185725588	/nfs/dbraw/zinc/72/55/88/185725588.db2.gz	VBIIEOMNUPLAFC-SQFISAMPSA-N	-1	0	259.309	1.655	50	30		CDEARM
Cc1nnc(NN=CC(=O)c2ccccc2)[n-]c1=O	ZINC000002747014	362769483	/nfs/dbraw/zinc/76/94/83/362769483.db2.gz	ZQBGJHADENGQNZ-NTUHNPAUSA-N	-1	0	257.253	1.166	50	30		CDEARM
C=CC[C@]1(C(=O)[O-])CCCN(C(=O)c2cnc(C)cn2)C1	ZINC000091381542	180143838	/nfs/dbraw/zinc/14/38/38/180143838.db2.gz	KQGXIGADDPHKQT-HNNXBMFYSA-N	-1	0	289.335	1.668	50	30		CDEARM
O=C([O-])CCCNC=C1C(=O)Oc2ccccc2C1=O	ZINC000019878125	356513412	/nfs/dbraw/zinc/51/34/12/356513412.db2.gz	IFUWFPFQZOXRSB-NTMALXAHSA-N	-1	0	275.260	1.127	50	30		CDEARM
O=C(/C=N/[O-])Nc1ccccc1I	ZINC000100468043	363588840	/nfs/dbraw/zinc/58/88/40/363588840.db2.gz	QOSIKWJYKCKWNU-BJMVGYQFSA-N	-1	0	290.060	1.690	50	30		CDEARM
Cc1n[n-]c(=S)n(N=Cc2ccc3c(c2)OCO3)c1=O	ZINC000100286272	358825920	/nfs/dbraw/zinc/82/59/20/358825920.db2.gz	VUTOPTBKDYHHDB-WLRTZDKTSA-N	-1	0	290.304	1.220	50	30		CDEARM
O=C(C=CNCc1ccccc1)C1=C([O-])CCCC1=O	ZINC000100710996	374157398	/nfs/dbraw/zinc/15/73/98/374157398.db2.gz	RBDXNTWPOBOMHX-MDZDMXLPSA-N	-1	0	271.316	1.797	50	30		CDEARM
N#Cc1cc(Br)ccc1OCC(=O)[O-]	ZINC000002578543	375248498	/nfs/dbraw/zinc/24/84/98/375248498.db2.gz	ULCWOZJWDOARHW-UHFFFAOYSA-N	-1	0	256.055	1.784	50	30		CDEARM
C=C(C)C[C@@H](C)C(=O)N1CC[C@](COC)(C(=O)[O-])C1	ZINC000263173702	190066972	/nfs/dbraw/zinc/06/69/72/190066972.db2.gz	YYYLZWOHUDQBHX-RISCZKNCSA-N	-1	0	269.341	1.538	50	30		CDEARM
COCC[C@]1(C(=O)[O-])CCCN(c2ccc(C#N)cn2)C1	ZINC000091680698	135073134	/nfs/dbraw/zinc/07/31/34/135073134.db2.gz	KKPZVEHESIDKEX-OAHLLOKOSA-N	-1	0	289.335	1.661	50	30		CDEARM
CCc1oc(C([O-])=C(C#N)C(=O)Nc2ncccn2)cc1C	ZINC000101974705	397827305	/nfs/dbraw/zinc/82/73/05/397827305.db2.gz	UGIVJFVNXOBMGX-JTQLQIEISA-N	-1	0	298.302	1.902	50	30		CDEARM
COCCCNC(=O)C(C#N)=C([O-])c1ccc(C)s1	ZINC000103259682	397894820	/nfs/dbraw/zinc/89/48/20/397894820.db2.gz	SNAYZQQUTPDYBU-JTQLQIEISA-N	-1	0	280.349	1.532	50	30		CDEARM
O=c1cnnc(NN=Cc2ccc(Cl)c([N+](=O)[O-])c2)[n-]1	ZINC000009088663	170362961	/nfs/dbraw/zinc/36/29/61/170362961.db2.gz	CLKBHCWWMWZUOL-UUILKARUSA-N	-1	0	294.658	1.585	50	30		CDEARM
C[C@@H](C#N)C[C@H](NC(=O)OCc1ccccc1)C(=O)[O-]	ZINC000700360187	724383146	/nfs/dbraw/zinc/38/31/46/724383146.db2.gz	RGJJXHGPIXLNLP-PWSUYJOCSA-N	-1	0	276.292	1.916	50	30		CDEARM
N#Cc1cccc(CSc2n[nH]c(=O)[n-]c2=O)c1	ZINC000071405402	176156010	/nfs/dbraw/zinc/15/60/10/176156010.db2.gz	IRBWBSYRPCHRMP-UHFFFAOYSA-N	-1	0	260.278	1.034	50	30		CDEARM
CCC(C)(C)NC(=O)CSc1[n-]c(=O)nc(C)c1C#N	ZINC000032776416	260145390	/nfs/dbraw/zinc/14/53/90/260145390.db2.gz	ZFYVXDXXKUMKPT-UHFFFAOYSA-N	-1	0	294.380	1.347	50	30		CDEARM
C#CC[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	ZINC000004241562	277697046	/nfs/dbraw/zinc/69/70/46/277697046.db2.gz	DMBBSZBBZZUEMF-ZJUUUORDSA-N	-1	0	253.298	1.720	50	30		CDEARM
Cc1[n-]n(-c2nc3ccccc3[nH]2)c(=O)c1CCC#N	ZINC000009060127	300896435	/nfs/dbraw/zinc/89/64/35/300896435.db2.gz	IEDYRQDMLQQEPF-UHFFFAOYSA-N	-1	0	267.292	1.807	50	30		CDEARM
C=CC[C@@]1(CO)CCCN(c2cccc(C(=O)[O-])n2)C1	ZINC000091494298	534322810	/nfs/dbraw/zinc/32/28/10/534322810.db2.gz	HOMYHEVBMMTSSJ-OAHLLOKOSA-N	-1	0	276.336	1.935	50	30		CDEARM
C#CCCC1(CCC(=O)NCc2cc(C(=O)[O-])co2)N=N1	ZINC000952879407	910438710	/nfs/dbraw/zinc/43/87/10/910438710.db2.gz	POTHDYLLYJCNQZ-UHFFFAOYSA-N	-1	0	289.291	1.950	50	30		CDEARM
Cc1nc([N-]S(=O)(=O)c2ccc(CC#N)cc2)no1	ZINC000095994079	185058938	/nfs/dbraw/zinc/05/89/38/185058938.db2.gz	BLENQLIXDVIKBQ-UHFFFAOYSA-N	-1	0	278.293	1.245	50	30		CDEARM
C=CCN(CC(=O)[O-])C(=O)Cc1cc(C)ccc1C	ZINC000092463558	180390241	/nfs/dbraw/zinc/39/02/41/180390241.db2.gz	BZIDOUFXBYQCHO-UHFFFAOYSA-N	-1	0	261.321	1.945	50	30		CDEARM
Cc1[nH]c(=O)[n-]c(=O)c1C(F)(F)C(F)(F)C(F)(F)F	ZINC000002565430	355975410	/nfs/dbraw/zinc/97/54/10/355975410.db2.gz	JHRCIENNXYHXBC-UHFFFAOYSA-N	-1	0	294.126	1.661	50	30		CDEARM
CC(=O)C1=C(O)C(=O)N(CC(=O)[O-])[C@@H]1c1ccc(F)cc1	ZINC000004638265	356039863	/nfs/dbraw/zinc/03/98/63/356039863.db2.gz	DTPGSPZPVXHQQY-GFCCVEGCSA-N	-1	0	293.250	1.195	50	30		CDEARM
CC1=CC(=O)C(=C([O-])C=Cc2cccs2)C(=O)O1	ZINC000003581819	358548272	/nfs/dbraw/zinc/54/82/72/358548272.db2.gz	KUCOBSFXMJXHTN-ZYOFXKKJSA-N	-1	0	262.286	1.976	50	30		CDEARM
Cc1ccc(C(=O)c2c(C)c(C#N)c(=O)n(C)c2[O-])cc1	ZINC000016752489	366907944	/nfs/dbraw/zinc/90/79/44/366907944.db2.gz	BGEQFXXPUGQODS-UHFFFAOYSA-N	-1	0	282.299	1.810	50	30		CDEARM
O=C([O-])C[C@H]1SC(=NN=Cc2ccccc2F)NC1=O	ZINC000252626630	369400839	/nfs/dbraw/zinc/40/08/39/369400839.db2.gz	RCISXQNALFJNMZ-SECBINFHSA-N	-1	0	295.295	1.222	50	30		CDEARM
CN(C)c1ccc(C(=O)NCCCCCC(=O)NO)cc1	ZINC000003872981	375806376	/nfs/dbraw/zinc/80/63/76/375806376.db2.gz	RGWSSTALGUXZMU-UHFFFAOYSA-N	-1	0	293.367	1.548	50	30	in-vitro	CDEARM
CC(C)n1cc(C(=O)/C=C\c2c(C(=O)[O-])cnn2C)cn1	ZINC000606445615	375826105	/nfs/dbraw/zinc/82/61/05/375826105.db2.gz	VDRGJKSMQNLXAL-PLNGDYQASA-N	-1	0	288.307	1.792	50	30		CDEARM
C=CC[C@]1(C(=O)[O-])CCCN(C(=O)N2CCN(C)CC2)C1	ZINC000091486477	377909349	/nfs/dbraw/zinc/90/93/49/377909349.db2.gz	JKFIXMCLZJFGMB-HNNXBMFYSA-N	-1	0	295.383	1.097	50	30		CDEARM
COCC[C@]1(C(=O)[O-])CCCN(c2ncccc2C#N)C1	ZINC000091646133	135072866	/nfs/dbraw/zinc/07/28/66/135072866.db2.gz	BJZLDHHLHNEPBP-OAHLLOKOSA-N	-1	0	289.335	1.661	50	30		CDEARM
Cc1c(/C=C/C(=O)c2c([O-])cc(C)oc2=O)cnn1C	ZINC000020606667	171267007	/nfs/dbraw/zinc/26/70/07/171267007.db2.gz	XRGGOCJEONFPDT-SNAWJCMRSA-N	-1	0	274.276	1.592	50	30		CDEARM
C=CC[C@@]1(C(=O)[O-])CCCN(c2nccnc2OC)C1	ZINC000091644681	534324213	/nfs/dbraw/zinc/32/42/13/534324213.db2.gz	JPCCBBCUTGUSEE-CQSZACIVSA-N	-1	0	277.324	1.733	50	30		CDEARM
COc1ccc(-c2cnc(C(=O)[O-])nc2)c(C#N)c1	ZINC000675070229	539085144	/nfs/dbraw/zinc/08/51/44/539085144.db2.gz	SKYSUXAZGWABRB-UHFFFAOYSA-N	-1	0	255.233	1.722	50	30		CDEARM
C=CC[C@@]1(CO)CCCN(C(=O)CCc2cc(=O)[n-]o2)C1	ZINC000091494170	180171086	/nfs/dbraw/zinc/17/10/86/180171086.db2.gz	SNDIURGOWFIMCN-OAHLLOKOSA-N	-1	0	294.351	1.490	50	30		CDEARM
Cc1nc(C(=O)N2CCCC[C@@H]2C(=O)[O-])ccc1C#N	ZINC000036974765	363304686	/nfs/dbraw/zinc/30/46/86/363304686.db2.gz	IVJKXRWRKMDSCG-GFCCVEGCSA-N	-1	0	273.292	1.341	50	30		CDEARM
CC(=O)n1[n-]c(N)c(N=Nc2ccc(C)cc2)c1=N	ZINC000016948999	358697252	/nfs/dbraw/zinc/69/72/52/358697252.db2.gz	URNJZLWWLIXBCQ-GMHBSZJHSA-N	-1	0	258.285	1.084	50	30		CDEARM
CC(C)(C)OC(=O)[N-]S(=O)(=O)Nc1cccc(C#N)c1	ZINC000012336793	359037699	/nfs/dbraw/zinc/03/76/99/359037699.db2.gz	FCDRUPNQSZROAX-UHFFFAOYSA-N	-1	0	297.336	1.740	50	30		CDEARM
C=CCn1c([O-])c(Cc2ccc(OC)cc2)c(=O)[nH]c1=O	ZINC000000053838	361438877	/nfs/dbraw/zinc/43/88/77/361438877.db2.gz	WGDKKWSCKHRQEO-GFCCVEGCSA-N	-1	0	288.303	1.118	50	30		CDEARM
Cc1c(C#N)c(=O)n(-c2ccc(F)cc2)nc1C(=O)[O-]	ZINC000000094561	169534146	/nfs/dbraw/zinc/53/41/46/169534146.db2.gz	AXDCIVOKTZAVCD-UHFFFAOYSA-N	-1	0	273.223	1.250	50	30		CDEARM
Cc1occc1C([O-])=C(C#N)C(=O)NC[C@H]1CCCO1	ZINC000103502304	397906373	/nfs/dbraw/zinc/90/63/73/397906373.db2.gz	MACVILFHAPAQNZ-ZYHUDNBSSA-N	-1	0	276.292	1.206	50	30		CDEARM
C/C(CCC(C)C)=N\N=C1/NC(=O)[C@@H](CC(=O)[O-])S1	ZINC000006364375	170195487	/nfs/dbraw/zinc/19/54/87/170195487.db2.gz	ADFATIWGEJDJRV-MBBDXHFBSA-N	-1	0	285.369	1.861	50	30		CDEARM
COC(=O)c1cc(-c2ccccc2)[n-]c(=O)c1C#N	ZINC000008655358	170344105	/nfs/dbraw/zinc/34/41/05/170344105.db2.gz	NQOKQVUCWKSXLM-UHFFFAOYSA-N	-1	0	254.245	1.700	50	30		CDEARM
C[C@](O)(CNc1cc(C#N)ccc1C(F)(F)F)C(=O)[O-]	ZINC000263567304	300740740	/nfs/dbraw/zinc/74/07/40/300740740.db2.gz	XJYQGAWCRWBZAL-NSHDSACASA-N	-1	0	288.225	1.825	50	30		CDEARM
CCCC(=O)C1=C(N[C@H](C)C(=O)[O-])CCCC1=O	ZINC000100731393	398137474	/nfs/dbraw/zinc/13/74/74/398137474.db2.gz	RZWAREWVIBHMHE-MRVPVSSYSA-N	-1	0	253.298	1.425	50	30		CDEARM
C=C[C@@](C)(O)C(=O)NC[C@H](CC(=O)[O-])CC(C)C	ZINC000585134591	342215536	/nfs/dbraw/zinc/21/55/36/342215536.db2.gz	BHPSRTRRRUFESD-GXFFZTMASA-N	-1	0	257.330	1.177	50	30		CDEARM
CC1(C)[C@H](C(=O)Nc2ccccc2C#N)[C@@H]1C(=O)[O-]	ZINC000061721768	362096958	/nfs/dbraw/zinc/09/69/58/362096958.db2.gz	HRJIVQUOAHVIQB-WDEREUQCSA-N	-1	0	258.277	1.854	50	30		CDEARM
C#CCn1cc(CN(C)C(=O)c2c([O-])cccc2F)cn1	ZINC000130026501	346186730	/nfs/dbraw/zinc/18/67/30/346186730.db2.gz	LPIGWVGCNGCBRD-UHFFFAOYSA-N	-1	0	287.294	1.633	50	30		CDEARM
COC(=O)c1ccccc1N=NC(C(=O)OC)C(C)=N[O-]	ZINC000018121772	366001109	/nfs/dbraw/zinc/00/11/09/366001109.db2.gz	YFNRSPVUDJSCGH-ZYHSJPTQSA-N	-1	0	293.279	1.264	50	30		CDEARM
CC(C)(C)OC(=O)N1C[C@@H](CC#N)C[C@H]1C(=O)[O-]	ZINC000097463415	358778548	/nfs/dbraw/zinc/77/85/48/358778548.db2.gz	ZOQSRCNKWLMRMW-IUCAKERBSA-N	-1	0	254.286	1.610	50	30		CDEARM
C=C(C)C[C@H](NC(=O)c1cc(C2CC2)on1)C(=O)[O-]	ZINC000630317545	368714950	/nfs/dbraw/zinc/71/49/50/368714950.db2.gz	RWPOMDTYLLLENL-JTQLQIEISA-N	-1	0	264.281	1.701	50	30		CDEARM
O=c1cnnc(NN=Cc2c(Cl)cccc2Cl)[n-]1	ZINC000004813181	170022148	/nfs/dbraw/zinc/02/21/48/170022148.db2.gz	VIRBVBSXYZPYPM-PQMHYQBVSA-N	-1	0	284.106	1.918	50	30		CDEARM
N#CCc1cccc(C(=O)N2CCO[C@H](CC(=O)[O-])C2)c1	ZINC000262750353	534728953	/nfs/dbraw/zinc/72/89/53/534728953.db2.gz	KIUWOCIJSJZXHS-CYBMUJFWSA-N	-1	0	288.303	1.068	50	30		CDEARM
C#CCCC1(CCC(=O)N2CC[C@H](C(=O)[O-])[C@H]2C)N=N1	ZINC000952876730	910434411	/nfs/dbraw/zinc/43/44/11/910434411.db2.gz	VPEYXEWMSRTXFG-MNOVXSKESA-N	-1	0	277.324	1.664	50	30		CDEARM
Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccon1	ZINC000095995613	185060013	/nfs/dbraw/zinc/06/00/13/185060013.db2.gz	RLAQUIUADXVUMK-UHFFFAOYSA-N	-1	0	263.278	1.656	50	30		CDEARM
O=C([O-])C1=C[C@H](c2ccccc2)C2=C(CCC2=O)N1	ZINC000100483497	304036105	/nfs/dbraw/zinc/03/61/05/304036105.db2.gz	CGACRRCXOUJSOH-SNVBAGLBSA-N	-1	0	255.273	1.959	50	30		CDEARM
CC1(C)[C@H](C(=O)Nc2n[nH]c(C(F)(F)F)n2)[C@@H]1C(=O)[O-]	ZINC000072400630	357429904	/nfs/dbraw/zinc/42/99/04/357429904.db2.gz	JFDGTENKQSSIEO-IUYQGCFVSA-N	-1	0	292.217	1.768	50	30		CDEARM
N#Cc1ccc(NC(=O)c2nccnc2C(=O)[O-])cc1	ZINC000000148556	169554197	/nfs/dbraw/zinc/55/41/97/169554197.db2.gz	CMEAZYYKJIURQM-UHFFFAOYSA-N	-1	0	268.232	1.299	50	30		CDEARM
Cc1c(C#N)c(=O)n(-c2ccc(Cl)cc2)nc1C(=O)[O-]	ZINC000000208546	169575013	/nfs/dbraw/zinc/57/50/13/169575013.db2.gz	KRMJTYDBSIXBPJ-UHFFFAOYSA-N	-1	0	289.678	1.764	50	30		CDEARM
COC[C@@H](C)NC(=O)C(C#N)=C([O-])c1ccccc1	ZINC000103502928	397906604	/nfs/dbraw/zinc/90/66/04/397906604.db2.gz	WISXCADVAANQER-PWSUYJOCSA-N	-1	0	260.293	1.160	50	30		CDEARM
CC1CCC(=N/N=C2\NC(=O)[C@@H](CC(=O)[O-])S2)CC1	ZINC000005046759	170060349	/nfs/dbraw/zinc/06/03/49/170060349.db2.gz	SXGXKBZMAGPJMG-NHSZFOGYSA-N	-1	0	283.353	1.615	50	30		CDEARM
Cc1cc([O-])n(Cc2ccc3c(c2)OCO3)c(=O)c1C#N	ZINC000020031377	170973786	/nfs/dbraw/zinc/97/37/86/170973786.db2.gz	ZWDZDQWVKVHNQL-UHFFFAOYSA-N	-1	0	284.271	1.511	50	30		CDEARM
Cc1ccc(/C=C/C(=O)c2c([O-])[nH]c(=O)sc2=O)o1	ZINC000020803262	171273290	/nfs/dbraw/zinc/27/32/90/171273290.db2.gz	RJCXUWQHNCLKLT-SNAWJCMRSA-N	-1	0	279.273	1.300	50	30		CDEARM
Cc1ccc2c(c1Br)/C(=N/[O-])C(=O)N2	ZINC000018122388	301913688	/nfs/dbraw/zinc/91/36/88/301913688.db2.gz	XCABGUTTZXXYSQ-UHFFFAOYSA-N	-1	0	255.071	1.888	50	30		CDEARM
COc1ccc(-c2[n-][nH]c(=O)c2N=Nc2cccnc2)cc1	ZINC000049525584	523879605	/nfs/dbraw/zinc/87/96/05/523879605.db2.gz	IJGDAJQBJGDGGV-UHFFFAOYSA-N	-1	0	295.302	1.392	50	30		CDEARM
CCOc1cc(C=NNC(=S)NC)cc([N+](=O)[O-])c1[O-]	ZINC000001789266	346607182	/nfs/dbraw/zinc/60/71/82/346607182.db2.gz	LQIKUNSBCAMEBB-UHFFFAOYSA-N	-1	0	298.324	1.538	50	30		CDEARM
N#Cc1c(=O)[n-]c(NC[C@H]2CCCO2)nc1-c1ccco1	ZINC000018192156	366207690	/nfs/dbraw/zinc/20/76/90/366207690.db2.gz	MCPBTKFQLHNGSJ-SECBINFHSA-N	-1	0	286.291	1.905	50	30		CDEARM
CC(C)C[C@@H](NC(=O)c1cccc(C#N)c1)C(=O)[O-]	ZINC000019274594	358889814	/nfs/dbraw/zinc/88/98/14/358889814.db2.gz	KMPNVANUAXAWFH-GFCCVEGCSA-N	-1	0	260.293	1.787	50	30		CDEARM
C=CCn1c([O-])c(Cc2ccc(OC)cc2)c(=O)[nH]c1=O	ZINC000004535233	360777563	/nfs/dbraw/zinc/77/75/63/360777563.db2.gz	WGDKKWSCKHRQEO-LBPRGKRZSA-N	-1	0	288.303	1.118	50	30		CDEARM
CC(C)(O)C#Cc1ccc(C(=O)NCCC(=O)[O-])s1	ZINC000004418139	360777579	/nfs/dbraw/zinc/77/75/79/360777579.db2.gz	HVPQHGKOHCKROL-UHFFFAOYSA-N	-1	0	281.333	1.075	50	30		CDEARM
Nc1nonc1/C(=N/[O-])Nc1ccc(Br)cc1	ZINC000018157502	374062542	/nfs/dbraw/zinc/06/25/42/374062542.db2.gz	SPPFXXXDLJDNHI-UHFFFAOYSA-N	-1	0	298.100	1.662	50	30		CDEARM
CCOc1ccc(N2C[C@@H](C(=O)[O-])CC2=O)cc1C#N	ZINC000065533332	374274413	/nfs/dbraw/zinc/27/44/13/374274413.db2.gz	ODKSFCYOSNEWNE-JTQLQIEISA-N	-1	0	274.276	1.394	50	30		CDEARM
CC(=O)C1=C(C)N(Cc2ccccc2)C(=O)[C@@H]1CC(=O)[O-]	ZINC000019461873	374737811	/nfs/dbraw/zinc/73/78/11/374737811.db2.gz	ZCAKYFHAWDKHEJ-CYBMUJFWSA-N	-1	0	287.315	1.983	50	30		CDEARM
N#Cc1cccc(NC(=O)Cn2cc(C(=O)[O-])ccc2=O)c1	ZINC000095471824	374966117	/nfs/dbraw/zinc/96/61/17/374966117.db2.gz	VSRZDEHWPAIDOS-UHFFFAOYSA-N	-1	0	297.270	1.057	50	30		CDEARM
C#CCN(CC1CC1)C(=O)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000097235728	375156064	/nfs/dbraw/zinc/15/60/64/375156064.db2.gz	DPHCRVGGDRDHMG-UHFFFAOYSA-N	-1	0	274.276	1.786	50	30		CDEARM
N#Cc1cc(C(=O)[O-])c(C=O)cc1Br	ZINC000263623368	190070214	/nfs/dbraw/zinc/07/02/14/190070214.db2.gz	GVEYGQYFCALMSU-UHFFFAOYSA-N	-1	0	254.039	1.831	50	30		CDEARM
CCc1oc(C(=O)[N-]S(=O)(=O)c2cnn(C)c2)cc1C	ZINC000095415913	184973843	/nfs/dbraw/zinc/97/38/43/184973843.db2.gz	HHDHPGDRAXHKHB-UHFFFAOYSA-N	-1	0	297.336	1.577	50	30		CDEARM
Cn1cc(C(=O)c2ccccc2[O-])cc(C#N)c1=O	ZINC000014138382	390469114	/nfs/dbraw/zinc/46/91/14/390469114.db2.gz	DDSXXMYIBWPPFV-UHFFFAOYSA-N	-1	0	254.245	1.194	50	30		CDEARM
CCc1ccc(C([O-])=C(C#N)C(=O)N[C@H](C)COC)cc1	ZINC000103503002	397906962	/nfs/dbraw/zinc/90/69/62/397906962.db2.gz	UPMUDCIKBGBFNI-RISCZKNCSA-N	-1	0	288.347	1.723	50	30		CDEARM
C=CCN1C(=O)[N-]C(=O)/C(=C/c2ccccc2)C1=O	ZINC000005667906	170125319	/nfs/dbraw/zinc/12/53/19/170125319.db2.gz	DTPXALQJHFJSRF-LUAWRHEFSA-N	-1	0	256.261	1.334	50	30		CDEARM
Cn1cc(/C=C/C(=O)c2ccc(OCC(=O)[O-])cc2)cn1	ZINC000014178953	260078948	/nfs/dbraw/zinc/07/89/48/260078948.db2.gz	SSHHEJFCTKSWAR-FARCUNLSSA-N	-1	0	286.287	1.780	50	30		CDEARM
N#Cc1cc2n(n1)CCCN(Cc1ncccc1C(=O)[O-])C2	ZINC000065398947	303186787	/nfs/dbraw/zinc/18/67/87/303186787.db2.gz	BOQNYDXQUXAMLR-UHFFFAOYSA-N	-1	0	297.318	1.254	50	30		CDEARM
N#Cc1ccc(N2C[C@H](C(=O)[O-])CC2=O)cc1Cl	ZINC000037393093	303195146	/nfs/dbraw/zinc/19/51/46/303195146.db2.gz	KZRPXJBBZVIZEC-MRVPVSSYSA-N	-1	0	264.668	1.649	50	30		CDEARM
CCn1cc(S(=O)(=O)[N-]C(=O)C=Cc2ccco2)cn1	ZINC000096453128	523440936	/nfs/dbraw/zinc/44/09/36/523440936.db2.gz	GQFZUQAOWZAVNT-AATRIKPKSA-N	-1	0	295.320	1.855	50	30		CDEARM
COc1cccc(C([O-])=C(C#N)C(=O)N2CCCC2)c1	ZINC000103502593	185847161	/nfs/dbraw/zinc/84/71/61/185847161.db2.gz	CTVXXPHLGLLOCO-CYBMUJFWSA-N	-1	0	272.304	1.640	50	30		CDEARM
CO/N=C/[C@@H](/C=N/[O-])C(=O)Nc1ccc(Cl)cc1	ZINC000004039152	372946748	/nfs/dbraw/zinc/94/67/48/372946748.db2.gz	FVZSKFGAKPHYID-ZWMHKTMMSA-N	-1	0	269.688	1.987	50	30		CDEARM
COc1ccc(C=NNc2nnc(C)c(=O)[n-]2)cc1OC	ZINC000253532031	373886126	/nfs/dbraw/zinc/88/61/26/373886126.db2.gz	OMFBJGKURSPVFT-UHFFFAOYSA-N	-1	0	289.295	1.349	50	30		CDEARM
O=C([O-])c1ccc(S(=O)(=O)N=C2C=CC(=O)C=C2)cc1	ZINC000001926395	304249983	/nfs/dbraw/zinc/24/99/83/304249983.db2.gz	WDSHYRGUAHBWTN-UHFFFAOYSA-N	-1	0	291.284	1.210	50	30	biogenic	CDEARM
CC(C)C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)[O-]	ZINC000021802225	256864746	/nfs/dbraw/zinc/86/47/46/256864746.db2.gz	CXBSZFREFQAVFU-LBPRGKRZSA-N	-1	0	296.348	1.336	50	30		CDEARM
COC[C@@H](C)NC(=O)C(C#N)=C([O-])c1ccc(C)c(C)c1	ZINC000103503014	397906849	/nfs/dbraw/zinc/90/68/49/397906849.db2.gz	LNMDYPVRKJNBOE-OCCSQVGLSA-N	-1	0	288.347	1.777	50	30		CDEARM
CC(=O)C1=C(O)C(=O)N(CC(=O)[O-])[C@@H]1c1ccccc1F	ZINC000100095863	398077610	/nfs/dbraw/zinc/07/76/10/398077610.db2.gz	OLZOENZBRJAOEO-YTRUQHMWSA-N	-1	0	293.250	1.195	50	30		CDEARM
O=[N+]([O-])c1cc(/C=N/[O-])ccc1Sc1nc[nH]n1	ZINC000005995980	170166030	/nfs/dbraw/zinc/16/60/30/170166030.db2.gz	SYAKJMNLWDBDHR-UUILKARUSA-N	-1	0	265.254	1.672	50	30		CDEARM
NC(=S)N/N=C1\CCCC[C@H]1c1cc(C(=O)[O-])ccn1	ZINC000005241381	303353305	/nfs/dbraw/zinc/35/33/05/303353305.db2.gz	LKKBYTOGPYPPQI-PQDUMBNFSA-N	-1	0	292.364	1.627	50	30		CDEARM
CC(C)(C)OC(=O)N1CCC([C@@H](C#N)C(=O)[O-])CC1	ZINC000756955978	575930642	/nfs/dbraw/zinc/93/06/42/575930642.db2.gz	VSMBJUMSYNIAEI-SNVBAGLBSA-N	-1	0	268.313	1.858	50	30		CDEARM
C[C@H](C#N)C[C@@H](NC(=O)OCc1ccccc1)C(=O)[O-]	ZINC000700360179	745607396	/nfs/dbraw/zinc/60/73/96/745607396.db2.gz	RGJJXHGPIXLNLP-CMPLNLGQSA-N	-1	0	276.292	1.916	50	30		CDEARM
Cc1nc(OCC(=O)[O-])c(C#N)c2c1COC(C)(C)C2	ZINC000005361256	362981447	/nfs/dbraw/zinc/98/14/47/362981447.db2.gz	POZIAXFEGKDHQS-UHFFFAOYSA-N	-1	0	276.292	1.576	50	30	biogenic	CDEARM
COC(=O)C1=C([O-])CSC1=Nc1ccc(F)cc1	ZINC000000301658	290926615	/nfs/dbraw/zinc/92/66/15/290926615.db2.gz	MJVOEIHLGGBVKX-UHFFFAOYSA-N	-1	0	267.281	1.938	50	30		CDEARM
C[C@@H](Oc1ccc(/C=N/n2cnnc2)cc1)C(=O)[O-]	ZINC000000451340	355912655	/nfs/dbraw/zinc/91/26/55/355912655.db2.gz	GBFQAEKSUGXARA-UXWFALKESA-N	-1	0	260.253	1.012	50	30		CDEARM
COc1c2c(cc(/C(=N\[O-])[C@H](C)[N+](=O)[O-])c1OC)OCO2	ZINC000015084027	356406223	/nfs/dbraw/zinc/40/62/23/356406223.db2.gz	JMOZPNCDPGTBQG-CZQZXSPRSA-N	-1	0	298.251	1.276	50	30		CDEARM
CCc1cccc(S(=O)(=O)[N-]c2n[nH]c(C)c2C#N)c1	ZINC000097114315	357984427	/nfs/dbraw/zinc/98/44/27/357984427.db2.gz	SCBHXIFHVFJBRL-UHFFFAOYSA-N	-1	0	290.348	1.953	50	30		CDEARM
O=C([O-])C(Cc1ccc(O)c(Br)c1)=NO	ZINC000242592416	376022029	/nfs/dbraw/zinc/02/20/29/376022029.db2.gz	OTQJUBTXGZWKKA-UHFFFAOYSA-N	-1	0	274.070	1.612	50	30		CDEARM
C=CC[C@@]1(CO)CCCN(c2ncccc2C(=O)[O-])C1	ZINC000091563058	377896464	/nfs/dbraw/zinc/89/64/64/377896464.db2.gz	FPWBPQYJWVBWDQ-OAHLLOKOSA-N	-1	0	276.336	1.935	50	30		CDEARM
O=C([O-])c1ccc(C=NN2C(=O)CSC2=S)cc1	ZINC000015011926	304232322	/nfs/dbraw/zinc/23/23/22/304232322.db2.gz	PNDPDZDVRJABHN-LFYBBSHMSA-N	-1	0	280.330	1.579	50	30		CDEARM
COC(=O)c1cc(C#N)cc(Br)c1[O-]	ZINC000263624096	390591527	/nfs/dbraw/zinc/59/15/27/390591527.db2.gz	NIKGCAQILNWKFW-UHFFFAOYSA-N	-1	0	256.055	1.813	50	30		CDEARM
N#Cc1cn(Cc2ccc(Cl)cc2)c(=O)[n-]c1=O	ZINC000000168303	391833209	/nfs/dbraw/zinc/83/32/09/391833209.db2.gz	SFHZNPBFICHLCL-UHFFFAOYSA-N	-1	0	261.668	1.110	50	30		CDEARM
CCOC(=O)c1cc(C#N)c(SCC(=O)[O-])nc1C	ZINC000003407314	169885693	/nfs/dbraw/zinc/88/56/93/169885693.db2.gz	UBWJFQUARLXQFU-UHFFFAOYSA-N	-1	0	280.305	1.615	50	30		CDEARM
O=C([O-])COc1ccc(CN=Nc2ccccn2)cc1	ZINC000005332388	170086724	/nfs/dbraw/zinc/08/67/24/170086724.db2.gz	GKDUBUHUIQPIBG-CXUHLZMHSA-N	-1	0	271.276	1.991	50	30		CDEARM
C[C@@H](Oc1ccccc1C#N)C(=O)N(CC(=O)[O-])C1CC1	ZINC000037589284	173537307	/nfs/dbraw/zinc/53/73/07/173537307.db2.gz	NMBXUWBKFAICOC-SNVBAGLBSA-N	-1	0	288.303	1.401	50	30		CDEARM
N#Cc1cc(S(=O)(=O)c2ccccc2)c(N)[n-]c1=O	ZINC000004002832	303185834	/nfs/dbraw/zinc/18/58/34/303185834.db2.gz	DEJOZQLLNRVNSV-UHFFFAOYSA-N	-1	0	275.289	1.074	50	30	aggregator	CDEARM
C#CCCC1(CCC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])N=N1	ZINC000952876389	910432289	/nfs/dbraw/zinc/43/22/89/910432289.db2.gz	OUKDIFATVTXINN-UWVGGRQHSA-N	-1	0	281.287	1.366	50	30		CDEARM
CSc1[n-]c(=O)n(-c2cccc(C)c2)c(=O)c1C#N	ZINC000034460412	363368483	/nfs/dbraw/zinc/36/84/83/363368483.db2.gz	FRNJULZOJBAMRL-UHFFFAOYSA-N	-1	0	273.317	1.840	50	30		CDEARM
O=C([O-])C[C@@H]1S/C(=N\N=C\c2ccccc2)NC1=O	ZINC000003061491	356134303	/nfs/dbraw/zinc/13/43/03/356134303.db2.gz	QIJOLPVMRAPYPX-PBJWJZLWSA-N	-1	0	277.305	1.083	50	30		CDEARM
O=C([O-])c1csc(N=NCc2ccc(O)cc2)n1	ZINC000004475356	356363241	/nfs/dbraw/zinc/36/32/41/356363241.db2.gz	QNWMSDIOLNYMRZ-LFYBBSHMSA-N	-1	0	263.278	1.993	50	30		CDEARM
CC(C)Cn1cnc(S(=O)(=O)[N-]C(=O)c2ccco2)c1	ZINC000097083177	357945760	/nfs/dbraw/zinc/94/57/60/357945760.db2.gz	QAVNCUVNGLTJEO-UHFFFAOYSA-N	-1	0	297.336	1.826	50	30		CDEARM
Cc1ccc(-n2nc(C(=O)[O-])c(C)c(C#N)c2=O)cc1C	ZINC000000208550	359300293	/nfs/dbraw/zinc/30/02/93/359300293.db2.gz	BOIWAJNZSPOMHN-UHFFFAOYSA-N	-1	0	283.287	1.728	50	30		CDEARM
C=CCn1c2ncccc2c([O-])c(C(=O)OCC)c1=O	ZINC000100227085	359373744	/nfs/dbraw/zinc/37/37/44/359373744.db2.gz	KYJPRYMNFSDIQY-UHFFFAOYSA-N	-1	0	274.276	1.465	50	30		CDEARM
Cn1cnc(S(=O)(=O)[N-]c2cccc(C#N)c2)c1	ZINC000015777559	361356145	/nfs/dbraw/zinc/35/61/45/361356145.db2.gz	VTHMPIHGNIGRBR-UHFFFAOYSA-N	-1	0	262.294	1.093	50	30		CDEARM
C=CCN1C(=O)[N-]C(=O)/C(=C\c2ccccc2)C1=O	ZINC000000492967	361449268	/nfs/dbraw/zinc/44/92/68/361449268.db2.gz	DTPXALQJHFJSRF-PKNBQFBNSA-N	-1	0	256.261	1.334	50	30		CDEARM
C=CCN1C(=O)[N-]C(=O)/C(=C\c2ccccc2Cl)C1=O	ZINC000000208335	361444748	/nfs/dbraw/zinc/44/47/48/361444748.db2.gz	JJJFAPPMYVHSOL-CSKARUKUSA-N	-1	0	290.706	1.988	50	30		CDEARM
COc1cc(C=NN2CN=NC2=S)cc([N+](=O)[O-])c1[O-]	ZINC000252477557	367546884	/nfs/dbraw/zinc/54/68/84/367546884.db2.gz	QSKCOPUPRZGXJG-UHFFFAOYSA-N	-1	0	295.280	1.071	50	30		CDEARM
N#Cc1ccc(N2CCC[C@H](c3n[n-]c(=O)o3)C2)nc1	ZINC000252479284	367554340	/nfs/dbraw/zinc/55/43/40/367554340.db2.gz	BCLFNJORSXYFMM-JTQLQIEISA-N	-1	0	271.280	1.014	50	30		CDEARM
Nc1nnnn1N=Cc1ccc(-c2ccccc2C(=O)[O-])o1	ZINC000245227637	376025077	/nfs/dbraw/zinc/02/50/77/376025077.db2.gz	LHRRVUVZXARZQY-UHFFFAOYSA-N	-1	0	298.262	1.096	50	30		CDEARM
C=CC[C@]1(CO)CCCN(c2cccc(C(=O)[O-])n2)C1	ZINC000091494296	377909218	/nfs/dbraw/zinc/90/92/18/377909218.db2.gz	HOMYHEVBMMTSSJ-HNNXBMFYSA-N	-1	0	276.336	1.935	50	30		CDEARM
C=CCOc1cccc(NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])c1	ZINC000192925168	378231100	/nfs/dbraw/zinc/23/11/00/378231100.db2.gz	ZJKSZTGAEPFOFY-NEPJUHHUSA-N	-1	0	261.277	1.911	50	30		CDEARM
COC(=O)c1cc(Br)c([O-])cc1C#N	ZINC000263624964	390591574	/nfs/dbraw/zinc/59/15/74/390591574.db2.gz	VPNRXOYVVAAMDT-UHFFFAOYSA-N	-1	0	256.055	1.813	50	30		CDEARM
C#CC(C)(C)OC(=O)[C@H]1CC(C)=CC[C@H]1C(=O)[O-]	ZINC000004539266	391344867	/nfs/dbraw/zinc/34/48/67/391344867.db2.gz	AMYOAUDTVJPWAJ-MNOVXSKESA-N	-1	0	250.294	1.999	50	30		CDEARM
CC(C)NC(=O)C(C#N)=C([O-])c1ccnc(Cl)c1	ZINC000103608332	397910529	/nfs/dbraw/zinc/91/05/29/397910529.db2.gz	HRUMEXZIOCNUGM-SECBINFHSA-N	-1	0	265.700	1.582	50	30		CDEARM
Cc1nn(CCC#N)c2nc(C(F)(F)F)[n-]c(=O)c12	ZINC000004864082	170032510	/nfs/dbraw/zinc/03/25/10/170032510.db2.gz	MLKCQTXBHVVYMV-UHFFFAOYSA-N	-1	0	271.202	1.773	50	30		CDEARM
CCc1nc(SCC(=O)N[C@H](C)CC)[n-]c(=O)c1C#N	ZINC000005238914	170078341	/nfs/dbraw/zinc/07/83/41/170078341.db2.gz	TUZANVKPVZDRDJ-MRVPVSSYSA-N	-1	0	294.380	1.211	50	30		CDEARM
CC1=CC(=O)C(=C([O-])C=Cc2cccc(O)c2)C(=O)O1	ZINC000110516929	424644406	/nfs/dbraw/zinc/64/44/06/424644406.db2.gz	GCXCAUAFKHWDEE-GEXIGZQTSA-N	-1	0	272.256	1.620	50	30		CDEARM
O=C([O-])C(N=Nc1ccc(F)cc1F)C(=O)C(F)(F)F	ZINC000004060328	534480586	/nfs/dbraw/zinc/48/05/86/534480586.db2.gz	ZDNWWTAMRIFTDU-REZTVBANSA-N	-1	0	296.151	1.949	50	30		CDEARM
C=C[C@H]1CCN(C(=O)NCc2ccc(C(=O)[O-])o2)C1	ZINC000426739816	527606942	/nfs/dbraw/zinc/60/69/42/527606942.db2.gz	QXGVHDNENXKRQQ-VIFPVBQESA-N	-1	0	264.281	1.695	50	30		CDEARM
N#Cc1cccc(S(=O)(=O)[N-]c2cccn3ncnc23)c1	ZINC000097944640	342162115	/nfs/dbraw/zinc/16/21/15/342162115.db2.gz	UNHDVIMRCMDFTK-UHFFFAOYSA-N	-1	0	299.315	1.402	50	30		CDEARM
C/C(=N/NC(N)=S)c1cc2ccc(O)cc2oc1=O	ZINC000000496326	365850395	/nfs/dbraw/zinc/85/03/95/365850395.db2.gz	JGGMVWOFVXGNGI-NSIKDUERSA-N	-1	0	277.305	1.056	50	30		CDEARM
O=C1[N-]C(=O)C(=NNc2ccccc2Cl)C(=O)N1	ZINC000007001894	356087434	/nfs/dbraw/zinc/08/74/34/356087434.db2.gz	XZVOLBTUCJEMRQ-UHFFFAOYSA-N	-1	0	266.644	1.314	50	30		CDEARM
O=C([O-])C[C@@H]1S/C(=N/N=C[C@H]2CC=CCC2)NC1=O	ZINC000252511842	367680953	/nfs/dbraw/zinc/68/09/53/367680953.db2.gz	LCXSJKUTAYWTNE-IUCAKERBSA-N	-1	0	281.337	1.391	50	30		CDEARM
C=CCNC(=O)C(C#N)=C([O-])c1cc(F)c(F)c(F)c1	ZINC000102766113	373725819	/nfs/dbraw/zinc/72/58/19/373725819.db2.gz	UGTLHUWANSWINY-QMMMGPOBSA-N	-1	0	282.221	1.729	50	30		CDEARM
N#Cc1ccc(OCC(=O)N2CCC[C@@H](C(=O)[O-])C2)cc1	ZINC000013170622	374658554	/nfs/dbraw/zinc/65/85/54/374658554.db2.gz	JISZCNAWSKSOOR-GFCCVEGCSA-N	-1	0	288.303	1.260	50	30		CDEARM
CN(C)c1ccc(C#N)c([N-]S(=O)(=O)c2c[nH]cn2)c1	ZINC000089323052	377827689	/nfs/dbraw/zinc/82/76/89/377827689.db2.gz	CJUMHEGSAUVDHQ-UHFFFAOYSA-N	-1	0	291.336	1.148	50	30		CDEARM
C#CC[C@]1(C(=O)[O-])CCCN1C(=O)OC(C)(C)C	ZINC000004241292	390150869	/nfs/dbraw/zinc/15/08/69/390150869.db2.gz	NZGJCBRBXVANRO-CYBMUJFWSA-N	-1	0	253.298	1.864	50	30		CDEARM
CCC(=O)ON[C@@H](CC(=O)[O-])c1ccc(OC)c(OC)c1	ZINC000002290624	169784788	/nfs/dbraw/zinc/78/47/88/169784788.db2.gz	QRGRJKPKTVJYBB-JTQLQIEISA-N	-1	0	297.307	1.677	50	30		CDEARM
CC(C)(C)c1ccc(C=NNc2nncc(=O)[n-]2)cc1	ZINC000004749604	170011430	/nfs/dbraw/zinc/01/14/30/170011430.db2.gz	ABLRYOKWPNTAOE-OVCLIPMQSA-N	-1	0	271.324	1.908	50	30		CDEARM
O=C1[N-]C(=O)C(=NNc2cccc(Cl)c2)C(=O)N1	ZINC000006861981	170250551	/nfs/dbraw/zinc/25/05/51/170250551.db2.gz	IDQVYARGLOQMGS-UHFFFAOYSA-N	-1	0	266.644	1.314	50	30		CDEARM
C=CCOc1ccc(C(=O)NCCCC(=O)[O-])cc1	ZINC000036973502	172841122	/nfs/dbraw/zinc/84/11/22/172841122.db2.gz	RSADSGVXHLFOGN-UHFFFAOYSA-N	-1	0	263.293	1.846	50	30		CDEARM
CCCN1C(C(C)=O)=C([O-])c2ccccc2S1(=O)=O	ZINC000037004514	172864318	/nfs/dbraw/zinc/86/43/18/172864318.db2.gz	CURCMFOSOBCULI-UHFFFAOYSA-N	-1	0	281.333	1.917	50	30		CDEARM
C=C(Cl)COC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)[O-]	ZINC000004143638	277811605	/nfs/dbraw/zinc/81/16/05/277811605.db2.gz	JDQQHYBAWBPWFX-QCLAVDOMSA-N	-1	0	256.685	1.805	50	30		CDEARM
C=CCN1C(=O)CO[C@H](C(=O)[O-])[C@H]1c1ccccc1	ZINC000062702272	518836031	/nfs/dbraw/zinc/83/60/31/518836031.db2.gz	YGLBKASIXGAIDQ-OLZOCXBDSA-N	-1	0	261.277	1.226	50	30		CDEARM
C=CCNC(=O)c1ccc(-n2cnc(C(=O)[O-])c2)cc1	ZINC000067872868	518934056	/nfs/dbraw/zinc/93/40/56/518934056.db2.gz	OUNNSNKNDXNZLD-UHFFFAOYSA-N	-1	0	271.276	1.486	50	30		CDEARM
O=C([O-])c1csc(N=NC2CC(=O)c3ccccc32)n1	ZINC000096609559	185108302	/nfs/dbraw/zinc/10/83/02/185108302.db2.gz	BAYRCAZTPGNIHL-DHDCSXOGSA-N	-1	0	287.300	1.666	50	30		CDEARM
Cc1conc1[N-]S(=O)(=O)Cc1ccc(C#N)cc1	ZINC000097035114	185157615	/nfs/dbraw/zinc/15/76/15/185157615.db2.gz	FNBDTCGHFMVDKM-UHFFFAOYSA-N	-1	0	277.305	1.797	50	30		CDEARM
Cc1cccc(NC(=O)C(C#N)=C([O-])c2cocn2)c1	ZINC000105756987	186070545	/nfs/dbraw/zinc/07/05/45/186070545.db2.gz	MZRSCUHUNFDJDY-NSHDSACASA-N	-1	0	269.260	1.944	50	30		CDEARM
Cc1n[n-]c(N/N=C\c2ccc(C(F)(F)F)cc2)nc1=O	ZINC000031843544	356770643	/nfs/dbraw/zinc/77/06/43/356770643.db2.gz	WQSXZEJCXAUSOR-SOFYXZRVSA-N	-1	0	297.240	1.938	50	30		CDEARM
COc1cccc(C(=O)C=c2nc3c([n-]c2=O)=NON3)c1	ZINC000101355765	360796435	/nfs/dbraw/zinc/79/64/35/360796435.db2.gz	YFBSFQDLBDUDNK-RMKNXTFCSA-N	-1	0	286.247	1.209	50	30		CDEARM
C#CCSc1nnnn1-c1ccc(C(=O)[O-])cc1	ZINC000019853047	364082833	/nfs/dbraw/zinc/08/28/33/364082833.db2.gz	LJOBVMDDTDPLET-UHFFFAOYSA-N	-1	0	260.278	1.086	50	30		CDEARM
C#Cc1cccc([N-]S(=O)(=O)c2ncn(C)c2Cl)c1	ZINC000026537065	364808174	/nfs/dbraw/zinc/80/81/74/364808174.db2.gz	KHUZMKAQZJWOGD-UHFFFAOYSA-N	-1	0	295.751	1.856	50	30		CDEARM
O=C([O-])C[C@@H]1SC(=NN=Cc2cccs2)NC1=O	ZINC000252601427	368370016	/nfs/dbraw/zinc/37/00/16/368370016.db2.gz	FALAOKLSBBVLDI-ZETCQYMHSA-N	-1	0	283.334	1.144	50	30		CDEARM
COC(=O)c1cc(C#N)c([O-])cc1Br	ZINC000263625288	390591561	/nfs/dbraw/zinc/59/15/61/390591561.db2.gz	YKYZOWBFCISEQK-UHFFFAOYSA-N	-1	0	256.055	1.813	50	30		CDEARM
CNC(=O)C(C#N)=C([O-])c1cc(C)n(-c2ccc(C)cc2)n1	ZINC000101989293	397826653	/nfs/dbraw/zinc/82/66/53/397826653.db2.gz	JBRZHKUSGRNMGN-ZDUSSCGKSA-N	-1	0	296.330	1.558	50	30		CDEARM
COC(=O)c1cc(-c2cccnc2)[n-]c(=O)c1C#N	ZINC000005400345	170094603	/nfs/dbraw/zinc/09/46/03/170094603.db2.gz	YIYYSWUALDHCQP-UHFFFAOYSA-N	-1	0	255.233	1.507	50	30		CDEARM
C#CCSc1nc(=O)c2c(C)c(C(=O)[O-])sc2[nH]1	ZINC000035682025	172353054	/nfs/dbraw/zinc/35/30/54/172353054.db2.gz	NAUUKFJGCFQSPH-UHFFFAOYSA-N	-1	0	280.330	1.717	50	30		CDEARM
N#CCc1cccc(C(=O)N2CC[C@](F)(C(=O)[O-])C2)c1	ZINC000262692861	330027590	/nfs/dbraw/zinc/02/75/90/330027590.db2.gz	ALAHLKJOJORNSG-CQSZACIVSA-N	-1	0	276.267	1.391	50	30		CDEARM
COC[C@@]1(C(=O)[O-])CCCN(C(=O)C2(C#N)CCCC2)C1	ZINC000262906909	330036627	/nfs/dbraw/zinc/03/66/27/330036627.db2.gz	MUBLOXSHNKZECN-OAHLLOKOSA-N	-1	0	294.351	1.410	50	30		CDEARM
N#CC1(C(=O)N2CCC[C@H]2CC(=O)[O-])CCCC1	ZINC000263013201	330038807	/nfs/dbraw/zinc/03/88/07/330038807.db2.gz	SIWCLLMMTMFGKZ-JTQLQIEISA-N	-1	0	250.298	1.536	50	30		CDEARM
Cc1ccoc1C([O-])=C(C#N)C(=O)CCc1cnn(C)c1	ZINC000100830725	525790618	/nfs/dbraw/zinc/79/06/18/525790618.db2.gz	AXYWVCMITWFUON-GFCCVEGCSA-N	-1	0	285.303	1.846	50	30		CDEARM
CCn1cc(Br)cc1C([O-])=C(C#N)C(=O)NC	ZINC000100705866	398136384	/nfs/dbraw/zinc/13/63/84/398136384.db2.gz	ZUKYJLHGRCTWQT-QMMMGPOBSA-N	-1	0	298.140	1.339	50	30		CDEARM
Cc1cc(S(=O)(=O)[N-]c2n[nH]cc2C#N)c(C)s1	ZINC000091052533	180092244	/nfs/dbraw/zinc/09/22/44/180092244.db2.gz	NXYKGWNBRUEAFG-UHFFFAOYSA-N	-1	0	282.350	1.761	50	30		CDEARM
C=CC[C@@]1(C(=O)[O-])CCCN(C(=O)Cn2nccc2C)C1	ZINC000091679084	180225388	/nfs/dbraw/zinc/22/53/88/180225388.db2.gz	VPBSLIMZRDHRIU-OAHLLOKOSA-N	-1	0	291.351	1.461	50	30		CDEARM
C/C(=N\N=C1/NC(=O)[C@H](CC(=O)[O-])S1)c1ccco1	ZINC000004480300	356364902	/nfs/dbraw/zinc/36/49/02/356364902.db2.gz	NWYKGPYKLJWIEB-UVDXRHSJSA-N	-1	0	281.293	1.066	50	30		CDEARM
CCOc1ccc(C(=O)NCC(=O)[O-])cc1OCC	ZINC000082068155	358146296	/nfs/dbraw/zinc/14/62/96/358146296.db2.gz	BLZLYGKTIGLOOQ-UHFFFAOYSA-N	-1	0	267.281	1.873	50	30		CDEARM
N#C[C@@H]1CCCN(Cc2ccccc2OCC(=O)[O-])C1	ZINC000216531942	358949180	/nfs/dbraw/zinc/94/91/80/358949180.db2.gz	IKFNEJBDQWYDMK-LBPRGKRZSA-N	-1	0	274.320	1.886	50	30		CDEARM
COc1ccccc1NC(=O)C(=N[O-])C(C)=NO	ZINC000252618193	368880423	/nfs/dbraw/zinc/88/04/23/368880423.db2.gz	LEUVGRALBTZALY-UHFFFAOYSA-N	-1	0	251.242	1.314	50	30		CDEARM
CN1C(=O)C(=N[O-])c2cc(Br)ccc21	ZINC000252626975	369398350	/nfs/dbraw/zinc/39/83/50/369398350.db2.gz	RJLXBYZPCIJJAM-UHFFFAOYSA-N	-1	0	255.071	1.604	50	30		CDEARM
O=C(O[C@H]1C/C(=N\O)C(=O)/C(=N\O)C1)c1ccccc1	ZINC000245240196	376027158	/nfs/dbraw/zinc/02/71/58/376027158.db2.gz	MZUAYSDBSKYJKQ-QQYTWFOJSA-N	-1	0	276.248	1.235	50	30		CDEARM
O=C([O-])c1cccc(NN=C2C(=O)CCCC2=O)c1	ZINC000001465711	304263899	/nfs/dbraw/zinc/26/38/99/304263899.db2.gz	WEGXBMIQUXSMGF-UHFFFAOYSA-N	-1	0	260.249	1.475	50	30		CDEARM
C=C(Cl)COC(=O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)[O-]	ZINC000000143290	391747008	/nfs/dbraw/zinc/74/70/08/391747008.db2.gz	JDQQHYBAWBPWFX-JXUBOQSCSA-N	-1	0	256.685	1.805	50	30		CDEARM
C=C(C)C[C@@H](C)C(=O)N1CC[C@@](COC)(C(=O)[O-])C1	ZINC000263173700	131285055	/nfs/dbraw/zinc/28/50/55/131285055.db2.gz	YYYLZWOHUDQBHX-BXUZGUMPSA-N	-1	0	269.341	1.538	50	30		CDEARM
CC[C@@H](C)S(=O)(=O)[N-]C(=O)Cc1c(C)nn(C)c1C	ZINC000097107187	397605406	/nfs/dbraw/zinc/60/54/06/397605406.db2.gz	GYDCWMVWOHKLKN-MRVPVSSYSA-N	-1	0	287.385	1.664	50	30		CDEARM
N#Cc1ccc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])cc1	ZINC000009234583	170367801	/nfs/dbraw/zinc/36/78/01/170367801.db2.gz	LXTQMGBYAFHPFA-AATRIKPKSA-N	-1	0	284.231	1.013	50	30		CDEARM
C=CCn1nc(CNc2ccc(OC)cc2)[n-]c1=O	ZINC000040286535	174219463	/nfs/dbraw/zinc/21/94/63/174219463.db2.gz	XKCBBNJUWNBMCM-UHFFFAOYSA-N	-1	0	260.297	1.378	50	30		CDEARM
C=CCn1c(=N)[n-]nc1SCc1cc(OC)no1	ZINC000585124130	930993934	/nfs/dbraw/zinc/99/39/34/930993934.db2.gz	KILXGFUFWRWZSA-UHFFFAOYSA-N	-1	0	267.314	1.166	50	30		CDEARM
C=CCN(Cc1ccccc1OC)C(=O)NCCC(=O)[O-]	ZINC001506431500	975162102	/nfs/dbraw/zinc/16/21/02/975162102.db2.gz	MRRZLJKLADOSBO-UHFFFAOYSA-N	-1	0	292.335	1.868	50	30		CDEARM
COc1ccc(C(O)=C2[C@@]3(C#N)C(=O)[N-]C(=O)[C@@]23C#N)cc1	ZINC000035325170	341994868	/nfs/dbraw/zinc/99/48/68/341994868.db2.gz	DEJKTODKRQGORY-SHHSBJBSSA-N	-1	0	295.254	1.024	50	30		CDEARM
N#CC(C(=O)NC1CCCCC1)=C([O-])c1cocn1	ZINC000105756751	186070349	/nfs/dbraw/zinc/07/03/49/186070349.db2.gz	CBNRCSPUGJBFNG-SNVBAGLBSA-N	-1	0	261.281	1.446	50	30		CDEARM
O=C([O-])C1=C[C@@H](c2ccccc2)C2=C(CCC2=O)N1	ZINC000100483495	304035995	/nfs/dbraw/zinc/03/59/95/304035995.db2.gz	CGACRRCXOUJSOH-JTQLQIEISA-N	-1	0	255.273	1.959	50	30		CDEARM
CC(=O)C1=C(C)N(Cc2ccccc2)C(=O)[C@H]1CC(=O)[O-]	ZINC000000213652	359309560	/nfs/dbraw/zinc/30/95/60/359309560.db2.gz	ZCAKYFHAWDKHEJ-ZDUSSCGKSA-N	-1	0	287.315	1.983	50	30		CDEARM
C=CCNC(=O)[C@@H](C)Oc1ccc(C)cc1C(=O)[O-]	ZINC000013316018	361321562	/nfs/dbraw/zinc/32/15/62/361321562.db2.gz	CORIYESENKAIHV-SNVBAGLBSA-N	-1	0	263.293	1.763	50	30		CDEARM
C#CCn1cc(/C=C2/NC(=O)[N-]C2=O)c2ccccc21	ZINC000000303883	169602868	/nfs/dbraw/zinc/60/28/68/169602868.db2.gz	ABWWVCOQLCWCIQ-XYOKQWHBSA-N	-1	0	265.272	1.455	50	30		CDEARM
CNC(=O)C(C#N)=C([O-])c1cc(SC)ccc1C	ZINC000103508171	397906899	/nfs/dbraw/zinc/90/68/99/397906899.db2.gz	HYGUGMNARKTVTH-LLVKDONJSA-N	-1	0	262.334	1.785	50	30		CDEARM
C=CCNc1nnc(Cc2ccc(C)cc2)c(=O)[n-]1	ZINC000005154548	170071480	/nfs/dbraw/zinc/07/14/80/170071480.db2.gz	QKOGWWURHKJGNB-UHFFFAOYSA-N	-1	0	256.309	1.662	50	30		CDEARM
CCOc1cc(/C=N/Nc2nc(=O)c(C)n[n-]2)ccc1O	ZINC000009691976	170384499	/nfs/dbraw/zinc/38/44/99/170384499.db2.gz	FZROCIKQOPWVSM-VGOFMYFVSA-N	-1	0	289.295	1.024	50	30		CDEARM
C=CCCn1c2cc(C(=O)[O-])ccc2n(CCOC)c1=O	ZINC000055211249	518727531	/nfs/dbraw/zinc/72/75/31/518727531.db2.gz	WLRSTPQSCKQYRM-UHFFFAOYSA-N	-1	0	290.319	1.724	50	30		CDEARM
C#CCCC1(CCC(=O)N2C[C@H](C(=O)[O-])C3(CC3)C2)N=N1	ZINC000952876354	910431722	/nfs/dbraw/zinc/43/17/22/910431722.db2.gz	NYYVRNLDQDUJSN-LLVKDONJSA-N	-1	0	289.335	1.665	50	30		CDEARM
Cc1cccc(NC(=O)C(C#N)=C([O-])c2cocn2)c1	ZINC000105756991	186070446	/nfs/dbraw/zinc/07/04/46/186070446.db2.gz	MZRSCUHUNFDJDY-LLVKDONJSA-N	-1	0	269.260	1.944	50	30		CDEARM
Cc1cc(C)c2ncc(C#N)c(NC[C@](C)(O)C(=O)[O-])c2c1	ZINC000263560782	366340176	/nfs/dbraw/zinc/34/01/76/366340176.db2.gz	RHCJPDORXHLLCO-INIZCTEOSA-N	-1	0	299.330	1.971	50	30		CDEARM
CC(C)C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)[O-]	ZINC000021802222	357476915	/nfs/dbraw/zinc/47/69/15/357476915.db2.gz	CXBSZFREFQAVFU-GFCCVEGCSA-N	-1	0	296.348	1.336	50	30		CDEARM
C#CCN(CC1CC1)C(=O)c1ccc([N+](=O)[O-])cc1[O-]	ZINC000097163945	358004389	/nfs/dbraw/zinc/00/43/89/358004389.db2.gz	DOLPZAXRPVNVCT-UHFFFAOYSA-N	-1	0	274.276	1.786	50	30		CDEARM
C[C@@](O)(CNc1c(F)cc(C#N)cc1F)C(=O)[O-]	ZINC000263541273	359018912	/nfs/dbraw/zinc/01/89/12/359018912.db2.gz	CXHPVESXOHHKBZ-LLVKDONJSA-N	-1	0	256.208	1.084	50	30		CDEARM
CN1C(=O)C[C@@H](C(=O)[O-])S/C1=N\c1cccc(F)c1	ZINC000005034724	360120395	/nfs/dbraw/zinc/12/03/95/360120395.db2.gz	MMEVBVKZHCNGEA-GCOCVTSNSA-N	-1	0	282.296	1.862	50	30		CDEARM
CCN(CC)C(=O)CN1c2ccccc2/C(=N\[O-])C1=O	ZINC000102454790	374156084	/nfs/dbraw/zinc/15/60/84/374156084.db2.gz	KJDLRCIGUOIUAY-FYWRMAATSA-N	-1	0	275.308	1.080	50	30		CDEARM
CC(=O)C1=C(O)C(=O)N([C@@H](C)C(=O)[O-])[C@@H]1c1ccccc1	ZINC000020112661	170997536	/nfs/dbraw/zinc/99/75/36/170997536.db2.gz	PVIOMRJMVNJYNK-QPUJVOFHSA-N	-1	0	289.287	1.444	50	30	biogenic	CDEARM
CC1(C)[C@H](C(=O)Nc2cccc(C#N)c2)[C@@H]1C(=O)[O-]	ZINC000071279261	176108074	/nfs/dbraw/zinc/10/80/74/176108074.db2.gz	HIFMIVYBNMSUFQ-WDEREUQCSA-N	-1	0	258.277	1.854	50	30		CDEARM
N#Cc1cc(C(=O)[O-])cc(Br)c1C=O	ZINC000263624470	303180069	/nfs/dbraw/zinc/18/00/69/303180069.db2.gz	QUALIQWTGQBUDD-UHFFFAOYSA-N	-1	0	254.039	1.831	50	30		CDEARM
C=C(C)COc1cccc(C(=O)N[C@@H](C)c2nnn[n-]2)c1	ZINC000055154198	518619426	/nfs/dbraw/zinc/61/94/26/518619426.db2.gz	OBQUNTVCBLNVBX-JTQLQIEISA-N	-1	0	287.323	1.646	50	30		CDEARM
C=CCn1c2cc(C(=O)[O-])cnc2n(CC(C)C)c1=O	ZINC000055282410	519261601	/nfs/dbraw/zinc/26/16/01/519261601.db2.gz	HSSSZMDPIGOIRL-UHFFFAOYSA-N	-1	0	275.308	1.738	50	30		CDEARM
CC(C)(C)c1[n-]n(CC2OCCO2)c(=O)c1CCC#N	ZINC000194654611	362844597	/nfs/dbraw/zinc/84/45/97/362844597.db2.gz	XSPCHQGCCZUNFH-UHFFFAOYSA-N	-1	0	279.340	1.715	50	30		CDEARM
CCOC(=O)C(C#N)=N[N-]c1c(F)cccc1F	ZINC000001392167	355934045	/nfs/dbraw/zinc/93/40/45/355934045.db2.gz	PJNOGMHMEDVRQB-OQLLNIDSSA-N	-1	0	253.208	1.819	50	30		CDEARM
C=CCN1CCC[C@H]1C(=O)N[C@H](C(=O)[O-])c1ccccc1	ZINC000426716856	360699003	/nfs/dbraw/zinc/69/90/03/360699003.db2.gz	JIDFCSBCGRUXCP-KBPBESRZSA-N	-1	0	288.347	1.579	50	30		CDEARM
O=C([O-])c1ccc2c3c(cccc13)C(=O)N(O)C2=O	ZINC000000315121	304254266	/nfs/dbraw/zinc/25/42/66/304254266.db2.gz	YOEXHYHTLZJFIM-UHFFFAOYSA-N	-1	0	257.201	1.523	50	30		CDEARM
CC1=CC(=O)C(=C([O-])C=Cc2ccccc2)C(=O)O1	ZINC000198414061	397915261	/nfs/dbraw/zinc/91/52/61/397915261.db2.gz	VPYUEWGWFJDJNO-WBTMPAOCSA-N	-1	0	256.257	1.915	50	30		CDEARM
O=C([O-])C[C@@H]1S/C(=N/N=C/c2cccs2)NC1=O	ZINC000005582305	170115717	/nfs/dbraw/zinc/11/57/17/170115717.db2.gz	FALAOKLSBBVLDI-AUEGDVLESA-N	-1	0	283.334	1.144	50	30		CDEARM
CC(=O)n1[n-]c(=N)c(N=Nc2ccc(Cl)cc2)c1N	ZINC000005830671	170144806	/nfs/dbraw/zinc/14/48/06/170144806.db2.gz	JHUVVIAOGFCWJC-QNZUYYNSSA-N	-1	0	278.703	1.429	50	30		CDEARM
COc1ccc(C=CC([O-])=C2C(=O)COC2=O)cc1	ZINC000017921224	295052714	/nfs/dbraw/zinc/05/27/14/295052714.db2.gz	GOXNWQRWCMETCV-LVDDQXARSA-N	-1	0	260.245	1.020	50	30	biogenic	CDEARM
C#CCCC1(CCC(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])N=N1	ZINC000952876891	910434627	/nfs/dbraw/zinc/43/46/27/910434627.db2.gz	ZSBPQMRJKMIHCT-GHMZBOCLSA-N	-1	0	277.324	1.712	50	30		CDEARM
N#Cc1cc(C(F)(F)F)ccc1NCCc1n[nH]c(=O)[n-]1	ZINC000095965313	185045302	/nfs/dbraw/zinc/04/53/02/185045302.db2.gz	UKYHUMUDNGYEME-UHFFFAOYSA-N	-1	0	297.240	1.643	50	30		CDEARM
C#CCCCCC(=O)[N-]S(=O)(=O)CC=C(Cl)Cl	ZINC000585135994	342215767	/nfs/dbraw/zinc/21/57/67/342215767.db2.gz	LLVYLGBSCNMGDM-UHFFFAOYSA-N	-1	0	298.191	1.945	50	30		CDEARM
CC(=O)C1=C(O)C(=O)N(CC(=O)[O-])[C@H]1c1ccccc1	ZINC000000283212	355901204	/nfs/dbraw/zinc/90/12/04/355901204.db2.gz	MGJBYEARFYIWTC-LBPRGKRZSA-N	-1	0	275.260	1.056	50	30	biogenic	CDEARM
COC(=O)C(C#N)=N[N-]c1ccc(C)cc1[N+](=O)[O-]	ZINC000012403976	256873171	/nfs/dbraw/zinc/87/31/71/256873171.db2.gz	FYHXAGZMIYGZRL-NTEUORMPSA-N	-1	0	262.225	1.368	50	30		CDEARM
COc1ccc(C(=O)C=C(N)C(F)(F)F)c([O-])c1	ZINC000100477125	533273831	/nfs/dbraw/zinc/27/38/31/533273831.db2.gz	VIQFYLGRINQHQB-YHYXMXQVSA-N	-1	0	261.199	1.988	50	30		CDEARM
N#CC(C(=O)N1CCCC1)=C([O-])c1ccc(F)cc1	ZINC000103259610	397894959	/nfs/dbraw/zinc/89/49/59/397894959.db2.gz	IYMHVDSBMJLHGR-LBPRGKRZSA-N	-1	0	260.268	1.771	50	30		CDEARM
COCCCNC(=O)C(C#N)=C([O-])c1ccc(C)cc1	ZINC000103502856	397906207	/nfs/dbraw/zinc/90/62/07/397906207.db2.gz	HCEBMQGASCBYDW-CYBMUJFWSA-N	-1	0	274.320	1.470	50	30		CDEARM
C=CCN1C(=O)[N-]C(=O)/C(=C/c2cccs2)C1=O	ZINC000005123882	170068396	/nfs/dbraw/zinc/06/83/96/170068396.db2.gz	ZKUJBGBTJYYGOM-CLFYSBASSA-N	-1	0	262.290	1.396	50	30		CDEARM
CCn1cc(C=Nn2c(=S)[n-]nc2C(F)F)cn1	ZINC000008340386	170332245	/nfs/dbraw/zinc/33/22/45/170332245.db2.gz	QPJVZZARJLMWGV-YIXHJXPBSA-N	-1	0	272.284	1.603	50	30		CDEARM
C#CCCS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1	ZINC000036893964	172786319	/nfs/dbraw/zinc/78/63/19/172786319.db2.gz	KEHCXNKSINYSMC-UHFFFAOYSA-N	-1	0	256.254	1.321	50	30		CDEARM
CC(=O)C1=C(O)C(=O)N([C@@H](C)C(=O)[O-])[C@H]1c1ccccc1	ZINC000020112655	277932996	/nfs/dbraw/zinc/93/29/96/277932996.db2.gz	PVIOMRJMVNJYNK-UFBFGSQYSA-N	-1	0	289.287	1.444	50	30	biogenic	CDEARM
CO[C@@H](C)CS(=O)(=O)[N-]c1cc(C#N)cc(C)n1	ZINC000585128653	1164215679	/nfs/dbraw/zinc/21/56/79/1164215679.db2.gz	JNKPYARBAUPKDX-VIFPVBQESA-N	-1	0	269.326	1.038	50	30		CDEARM
O=C1COC(=O)C1=C([O-])C=Cc1cccc(Cl)c1	ZINC000107780823	901577920	/nfs/dbraw/zinc/57/79/20/901577920.db2.gz	GVXAMIRIHOYAAV-ITKZLYELSA-N	-1	0	264.664	1.664	50	30		CDEARM
COc1cc2c(cc1OC)C(/C(=N/[O-])C(C)=O)=NCC2	ZINC000106772148	342089346	/nfs/dbraw/zinc/08/93/46/342089346.db2.gz	OMUVIPZFZKJDGB-DTQAZKPQSA-N	-1	0	276.292	1.468	50	30		CDEARM
CNC(=S)N=NCc1ccc([O-])c([N+](=O)[O-])c1	ZINC000001905275	346734348	/nfs/dbraw/zinc/73/43/48/346734348.db2.gz	VNKUTKNGOVOSOB-UHFFFAOYSA-N	-1	0	254.271	1.140	50	30		CDEARM
N#CCC(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1	ZINC000000241292	355898018	/nfs/dbraw/zinc/89/80/18/355898018.db2.gz	BUKXTALLSZZXDI-UHFFFAOYSA-N	-1	0	258.686	1.059	50	30		CDEARM
CCSC(=N)N/N=C/c1cccc(C(=O)[O-])c1O	ZINC000003123162	355993884	/nfs/dbraw/zinc/99/38/84/355993884.db2.gz	IMVCANHYJQBRFO-AWNIVKPZSA-N	-1	0	267.310	1.702	50	30		CDEARM
COC(=O)c1scc(C#N)c1[N-]N=C(C#N)C#N	ZINC000002148343	355961103	/nfs/dbraw/zinc/96/11/03/355961103.db2.gz	OEVHAKZHYPSHRU-UHFFFAOYSA-N	-1	0	259.250	1.221	50	30		CDEARM
O=C([O-])C[C@@H]1S/C(=N/N=C/c2ccccc2F)NC1=O	ZINC000002187092	355963321	/nfs/dbraw/zinc/96/33/21/355963321.db2.gz	RCISXQNALFJNMZ-RGEMTFFCSA-N	-1	0	295.295	1.222	50	30		CDEARM
O=C1CSC(=S)N1/N=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000001921946	359394613	/nfs/dbraw/zinc/39/46/13/359394613.db2.gz	URCAWISQNZFZRS-NYYWCZLTSA-N	-1	0	297.317	1.495	50	30		CDEARM
N#Cc1cccc(S(=O)(=O)[N-]c2nccs2)c1	ZINC000019483246	364146802	/nfs/dbraw/zinc/14/68/02/364146802.db2.gz	MINMQHOWUDKIHH-UHFFFAOYSA-N	-1	0	265.319	1.816	50	30		CDEARM
FC(F)(F)c1n[n-]c(=S)n1N=Cc1ccccn1	ZINC000252477726	367547801	/nfs/dbraw/zinc/54/78/01/367547801.db2.gz	URUQQJBHRCSEAM-UHFFFAOYSA-N	-1	0	273.243	1.863	50	30		CDEARM
C=CCn1c(=O)c2cc3c(cc2[n-]c1=S)OCO3	ZINC000040478888	378128844	/nfs/dbraw/zinc/12/88/44/378128844.db2.gz	JKWYUESSHAXAMP-UHFFFAOYSA-N	-1	0	262.290	1.974	50	30		CDEARM
CCN(CC)c1ccc(C=[NH+][N-]c2nnn[n-]2)c(O)c1	ZINC000101898421	397822758	/nfs/dbraw/zinc/82/27/58/397822758.db2.gz	SPGVEFBNXXDCMT-JYRVWZFOSA-N	-1	0	275.316	1.198	50	30		CDEARM
COC[C@H](C)NC(=O)C(C#N)=C([O-])c1ccc(C)c(F)c1	ZINC000103503043	397906902	/nfs/dbraw/zinc/90/69/02/397906902.db2.gz	UGSGIRKMTQEXLI-JQWIXIFHSA-N	-1	0	292.310	1.608	50	30		CDEARM
COC[C@H](C)NC(=O)C(C#N)=C([O-])c1ccc(C)c(F)c1	ZINC000103503040	397907024	/nfs/dbraw/zinc/90/70/24/397907024.db2.gz	UGSGIRKMTQEXLI-CMPLNLGQSA-N	-1	0	292.310	1.608	50	30		CDEARM
COc1ccccc1-n1nc(C(=O)[O-])c(C)c(C#N)c1=O	ZINC000009095677	170363560	/nfs/dbraw/zinc/36/35/60/170363560.db2.gz	VHOBYRCISCWULU-UHFFFAOYSA-N	-1	0	285.259	1.119	50	30		CDEARM
Cc1nc(C(=O)NC2(C(=O)[O-])CCCC2)ccc1C#N	ZINC000037419372	173196999	/nfs/dbraw/zinc/19/69/99/173196999.db2.gz	DVWNSIIHIXGNGO-UHFFFAOYSA-N	-1	0	273.292	1.389	50	30		CDEARM
N#Cc1c(C=O)cc(Br)cc1C(=O)[O-]	ZINC000263623654	303174430	/nfs/dbraw/zinc/17/44/30/303174430.db2.gz	JJNSIPXTRBXTBM-UHFFFAOYSA-N	-1	0	254.039	1.831	50	30		CDEARM
C[C@H](C#N)C[C@H](NC(=O)OCc1ccccc1)C(=O)[O-]	ZINC000700360183	811842877	/nfs/dbraw/zinc/84/28/77/811842877.db2.gz	RGJJXHGPIXLNLP-JQWIXIFHSA-N	-1	0	276.292	1.916	50	30		CDEARM
Cn1cc(C#N)c([N-]S(=O)(=O)CC2CCCC2)n1	ZINC000096494516	230383646	/nfs/dbraw/zinc/38/36/46/230383646.db2.gz	ZJQZVKNLTGRNSK-UHFFFAOYSA-N	-1	0	268.342	1.224	50	30		CDEARM
Cn1nnc([C@H](O)C/N=C/c2c(O)ccc3ccccc32)n1	ZINC000001030161	342474137	/nfs/dbraw/zinc/47/41/37/342474137.db2.gz	AFZOMYRMCJUWLE-UVYNJXETSA-N	-1	0	297.318	1.221	50	30		CDEARM
O=C1[N-]C(=O)C(=NNc2ccc(Cl)cc2)C(=O)N1	ZINC000003173536	355995436	/nfs/dbraw/zinc/99/54/36/355995436.db2.gz	KIJXOIQDPUUOBJ-UHFFFAOYSA-N	-1	0	266.644	1.314	50	30		CDEARM
Cc1ccc(/N=C2\NC(=O)[C@@H](CC(=O)[O-])S2)cc1	ZINC000001780111	355951761	/nfs/dbraw/zinc/95/17/61/355951761.db2.gz	QKEZXBBAQDLHKN-SECBINFHSA-N	-1	0	264.306	1.689	50	30		CDEARM
O=C([O-])C[C@H]1S/C(=N\N=C2CCCCCC2)NC1=O	ZINC000017084839	356454053	/nfs/dbraw/zinc/45/40/53/356454053.db2.gz	IWZBPGBAADIHCO-SECBINFHSA-N	-1	0	283.353	1.759	50	30		CDEARM
C=CCn1c([O-])c(CN2CO[C@H](C)C2)c(C)c(C#N)c1=O	ZINC000019690858	364079815	/nfs/dbraw/zinc/07/98/15/364079815.db2.gz	UVUBHLJJXRZVPS-SNVBAGLBSA-N	-1	0	289.335	1.098	50	30		CDEARM
N#Cc1nc(NC(=O)Cc2cccc(F)c2)[n-]c1C#N	ZINC000026275677	369851326	/nfs/dbraw/zinc/85/13/26/369851326.db2.gz	CFYRXGCARGGMMC-UHFFFAOYSA-N	-1	0	269.239	1.473	50	30		CDEARM
COc1cccc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)c1	ZINC000003581993	373278843	/nfs/dbraw/zinc/27/88/43/373278843.db2.gz	JINGKNVJQJWHKG-LQYUOIDQSA-N	-1	0	286.283	1.923	50	30		CDEARM
C=CCN(CC=C)S(=O)(=O)c1ccc(C(=O)[O-])cc1	ZINC000002455258	374652504	/nfs/dbraw/zinc/65/25/04/374652504.db2.gz	QPLMVYWZDNBOJU-UHFFFAOYSA-N	-1	0	281.333	1.748	50	30		CDEARM
O=[N+]([O-])c1ccc([O-])c(/C=N/C[C@@H]2CCCO2)c1	ZINC000019641983	374768709	/nfs/dbraw/zinc/76/87/09/374768709.db2.gz	SNHLNYWIVLKXBB-DELQEKLWSA-N	-1	0	250.254	1.898	50	30		CDEARM
N#CC(C(=O)NC1CC1)=C([O-])c1cc2c(s1)CCOC2	ZINC000103330211	397897183	/nfs/dbraw/zinc/89/71/83/397897183.db2.gz	ASORHFVPOVADGV-JTQLQIEISA-N	-1	0	290.344	1.422	50	30		CDEARM
COC[C@@H](C)NC(=O)C(C#N)=C([O-])c1cc(C)cc(C)c1	ZINC000103502965	397906764	/nfs/dbraw/zinc/90/67/64/397906764.db2.gz	YOKIBJVTUZPYJK-TZMCWYRMSA-N	-1	0	288.347	1.777	50	30		CDEARM
Cc1n[n-]c(=S)n(N=C[C@@H]2CC=CCC2)c1=O	ZINC000008228438	170326161	/nfs/dbraw/zinc/32/61/61/170326161.db2.gz	VMYMJSRMGVFTIC-SZJBZFAYSA-N	-1	0	250.327	1.800	50	30		CDEARM
C#CCCC1(CCC(=O)N[C@@H](C(=O)[O-])C2CC2)N=N1	ZINC000952876747	910435376	/nfs/dbraw/zinc/43/53/76/910435376.db2.gz	VYVPHALOHICGIZ-LLVKDONJSA-N	-1	0	263.297	1.322	50	30		CDEARM
N#Cc1ccc(S(=O)(=O)[N-]c2ccon2)c(F)c1	ZINC000096500769	230384654	/nfs/dbraw/zinc/38/46/54/230384654.db2.gz	GOUDFHWNSRLPKO-UHFFFAOYSA-N	-1	0	267.241	1.486	50	30		CDEARM
COc1cccc([C@@H]2[C@@]3(C#N)C(=O)[N-]C(=O)[C@@]23C#N)c1	ZINC000206327252	350445545	/nfs/dbraw/zinc/44/55/45/350445545.db2.gz	CIEZJBYWUVURSP-ZOZIMZAQSA-N	-1	0	267.244	1.309	50	30		CDEARM
Cc1nnc(SCC(=O)[O-])n1/N=C/c1ccc(O)cc1	ZINC000002544707	367545737	/nfs/dbraw/zinc/54/57/37/367545737.db2.gz	MCFAKNDERAPPTQ-AWNIVKPZSA-N	-1	0	292.320	1.351	50	30		CDEARM
N#CCCCS(=O)(=O)[N-]C(=O)c1ccccc1F	ZINC000095463468	374959165	/nfs/dbraw/zinc/95/91/65/374959165.db2.gz	KIOBWIDWWAECER-UHFFFAOYSA-N	-1	0	270.285	1.764	50	30		CDEARM
CS(=O)(=O)[N-]C(=O)[C@H]1C[C@H]1c1cc(F)ccc1F	ZINC000096441803	533309170	/nfs/dbraw/zinc/30/91/70/533309170.db2.gz	GLFNNQUGCMKUQS-CBAPKCEASA-N	-1	0	275.276	1.984	50	30		CDEARM
COCCCNC(=O)C(C#N)=C([O-])c1ccc(Cl)cc1	ZINC000103502785	397906199	/nfs/dbraw/zinc/90/61/99/397906199.db2.gz	XTJHNPUKDHUXNN-GFCCVEGCSA-N	-1	0	294.738	1.815	50	30		CDEARM
N#Cc1ccccc1NC(=O)c1nccnc1C(=O)[O-]	ZINC000006737223	170236571	/nfs/dbraw/zinc/23/65/71/170236571.db2.gz	SSFIWYSCHAFGHG-UHFFFAOYSA-N	-1	0	268.232	1.299	50	30		CDEARM
CC[C@H]1CCCCN1S(=O)(=O)[N-]C(=O)OC	ZINC000095452560	288198251	/nfs/dbraw/zinc/19/82/51/288198251.db2.gz	NUBQRPGRAIMUKM-QMMMGPOBSA-N	-1	0	250.320	1.056	50	30		CDEARM
CCn1c(O)c2c(=O)[n-]c(=O)c(C#N)c-2c2ccccc21	ZINC000170624554	288683601	/nfs/dbraw/zinc/68/36/01/288683601.db2.gz	UMGAMVVRHJMSCM-UHFFFAOYSA-N	-1	0	281.271	1.392	50	30		CDEARM
C=CCNC(=O)CCc1nnc(-c2cccc(C)c2)[n-]c1=O	ZINC000034768737	526526380	/nfs/dbraw/zinc/52/63/80/526526380.db2.gz	RDRJXBLFCJZXRE-UHFFFAOYSA-N	-1	0	298.346	1.787	50	30		CDEARM
C#CCCC1(CCC(=O)N[C@H]2CCC[C@@H]2C(=O)[O-])N=N1	ZINC000952876893	910434304	/nfs/dbraw/zinc/43/43/04/910434304.db2.gz	ZSBPQMRJKMIHCT-QWRGUYRKSA-N	-1	0	277.324	1.712	50	30		CDEARM
CC[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc(C#N)cc1	ZINC000096010444	185064711	/nfs/dbraw/zinc/06/47/11/185064711.db2.gz	IWPNXJVDISQMEK-VIFPVBQESA-N	-1	0	266.322	1.416	50	30		CDEARM
C[C@@](O)(CNc1nc2c(cc1C#N)CCCC2)C(=O)[O-]	ZINC000263549411	539114620	/nfs/dbraw/zinc/11/46/20/539114620.db2.gz	JPMBLZZJFKBPAQ-CQSZACIVSA-N	-1	0	275.308	1.080	50	30		CDEARM
Cc1c(C#N)c2[nH]c3ccccc3n2c(=O)c1CCC(=O)[O-]	ZINC000100019560	362080925	/nfs/dbraw/zinc/08/09/25/362080925.db2.gz	QRWDFJMBLRVKEP-UHFFFAOYSA-N	-1	0	295.298	1.978	50	30		CDEARM
CCn1cc([N-]S(=O)(=O)c2cccc(C#N)c2)cn1	ZINC000032595290	356307944	/nfs/dbraw/zinc/30/79/44/356307944.db2.gz	CEQVWRQNMCFHQI-UHFFFAOYSA-N	-1	0	276.321	1.575	50	30		CDEARM
NC(=S)N/N=C/c1ccc(-c2ccc(C(=O)[O-])cc2)o1	ZINC000000566059	357258721	/nfs/dbraw/zinc/25/87/21/357258721.db2.gz	GBFDUEHBZPUKMB-VIZOYTHASA-N	-1	0	289.316	1.812	50	30		CDEARM
N#C[C@H]1CCCN(Cc2ccccc2OCC(=O)[O-])C1	ZINC000216531890	358948931	/nfs/dbraw/zinc/94/89/31/358948931.db2.gz	IKFNEJBDQWYDMK-GFCCVEGCSA-N	-1	0	274.320	1.886	50	30		CDEARM
C=CCSc1nc(O)c(CC)c(=O)n1CC=C	ZINC000016513531	361436085	/nfs/dbraw/zinc/43/60/85/361436085.db2.gz	OPJGKEUKPCYZSR-UHFFFAOYSA-N	-1	0	252.339	1.975	50	30		CDEARM
N#Cc1cc(Br)ccc1N1CC(C(=O)[O-])C1	ZINC000161813799	375183599	/nfs/dbraw/zinc/18/35/99/375183599.db2.gz	UWFANZUNIALHTJ-UHFFFAOYSA-N	-1	0	281.109	1.842	50	30		CDEARM
Cn1ncc(C(=O)[O-])c1C(=O)Nc1ccccc1C#N	ZINC000020615258	171267879	/nfs/dbraw/zinc/26/78/79/171267879.db2.gz	IQXSMWXCLZNZNR-UHFFFAOYSA-N	-1	0	270.248	1.242	50	30		CDEARM
Cc1ccccc1-n1nc(C(=O)[O-])c(C)c(C#N)c1=O	ZINC000000521143	302075288	/nfs/dbraw/zinc/07/52/88/302075288.db2.gz	SFEJDPWUGVSQFT-UHFFFAOYSA-N	-1	0	269.260	1.419	50	30		CDEARM
N#CCCN(Cc1ccccc1)C(=O)CCC(=O)[O-]	ZINC000036563247	356875231	/nfs/dbraw/zinc/87/52/31/356875231.db2.gz	BAOSRLOPPXNMGM-UHFFFAOYSA-N	-1	0	260.293	1.794	50	30		CDEARM
Cc1[nH]nc([N-]S(=O)(=O)c2cc(C)cc(F)c2)c1C#N	ZINC000097114316	357984330	/nfs/dbraw/zinc/98/43/30/357984330.db2.gz	SFWJYCJFSZIKHZ-UHFFFAOYSA-N	-1	0	294.311	1.838	50	30		CDEARM
C=CCNC(=O)c1c([O-])c2cccc3c2n(c1=O)CC3	ZINC000002319844	373756153	/nfs/dbraw/zinc/75/61/53/373756153.db2.gz	GMUQGNILUSZRSR-UHFFFAOYSA-N	-1	0	270.288	1.179	50	30		CDEARM
Cc1nnc(NN=Cc2cccc(Cl)c2)[n-]c1=O	ZINC000253532425	373885947	/nfs/dbraw/zinc/88/59/47/373885947.db2.gz	OXSBQJLRKZEFDD-UHFFFAOYSA-N	-1	0	263.688	1.985	50	30		CDEARM
O=C([N-]S(=O)(=O)c1cncc(Cl)c1)C1CC1	ZINC000095440727	374942673	/nfs/dbraw/zinc/94/26/73/374942673.db2.gz	JNZJXWNPQDSXNT-UHFFFAOYSA-N	-1	0	260.702	1.790	50	30		CDEARM
COC[C@@H](C)NC(=O)C(C#N)=C([O-])c1cc(C)cc(C)c1	ZINC000103502969	397906982	/nfs/dbraw/zinc/90/69/82/397906982.db2.gz	YOKIBJVTUZPYJK-OCCSQVGLSA-N	-1	0	288.347	1.777	50	30		CDEARM
NC(=S)N/N=C/c1ccc(-c2ccccc2C(=O)[O-])o1	ZINC000005869337	170149050	/nfs/dbraw/zinc/14/90/50/170149050.db2.gz	JPBUJAODMVMYME-VIZOYTHASA-N	-1	0	289.316	1.812	50	30		CDEARM
CC(=O)C1C(C)=Nc2ncnn2[C@@H]1c1ccc(C(=O)[O-])cc1	ZINC000004085145	277932255	/nfs/dbraw/zinc/93/22/55/277932255.db2.gz	PGBCURJYMNUBCQ-CYBMUJFWSA-N	-1	0	298.302	1.854	50	30		CDEARM
N#CCc1ccc(C(=O)N2CCCC[C@H]2C(=O)[O-])cc1	ZINC000095989368	303157396	/nfs/dbraw/zinc/15/73/96/303157396.db2.gz	CBWFIWLPGIZRPX-ZDUSSCGKSA-N	-1	0	272.304	1.832	50	30		CDEARM
[O-]N=C(Cc1cscn1)c1ccc(O)cc1O	ZINC000254288401	839321160	/nfs/dbraw/zinc/32/11/60/839321160.db2.gz	HJSWDPMDSPLRJI-UHFFFAOYSA-N	-1	0	250.279	1.975	50	30		CDEARM
CN(C)c1ccc(C=CC(=O)C2=C([O-])CCC2=O)cc1	ZINC000104976872	348743265	/nfs/dbraw/zinc/74/32/65/348743265.db2.gz	JVUGAMLTMOCPRB-VMPITWQZSA-N	-1	0	271.316	1.883	50	30		CDEARM
C=CCc1cc(/C=C2\NC(=O)[N-]C2=O)cc(OCC)c1O	ZINC000100779556	356841351	/nfs/dbraw/zinc/84/13/51/356841351.db2.gz	JRDHRKMHYCEFHH-XFFZJAGNSA-N	-1	0	288.303	1.700	50	30		CDEARM
Cc1sc(NC(=O)/C=C\C(=O)[O-])c(C#N)c1C	ZINC000101030863	357020865	/nfs/dbraw/zinc/02/08/65/357020865.db2.gz	XPBVVJQMUUACRY-ARJAWSKDSA-N	-1	0	250.279	1.816	50	30		CDEARM
Cc1cc(C)cc(/N=C2\NC(=O)[C@@H](CC(=O)[O-])S2)c1	ZINC000004690158	357754865	/nfs/dbraw/zinc/75/48/65/357754865.db2.gz	MDTOYMOPZGTEMM-SNVBAGLBSA-N	-1	0	278.333	1.997	50	30		CDEARM
O=[N+]([O-])c1ccc([O-])c(/C=N/C[C@H]2CCCO2)c1	ZINC000019641988	374768647	/nfs/dbraw/zinc/76/86/47/374768647.db2.gz	SNHLNYWIVLKXBB-ZTFCMROMSA-N	-1	0	250.254	1.898	50	30		CDEARM
CC(=O)c1cc(C#N)c(SCC(=O)[O-])nc1C	ZINC000003407331	375682649	/nfs/dbraw/zinc/68/26/49/375682649.db2.gz	VWDLFEVYYXMTPW-UHFFFAOYSA-N	-1	0	250.279	1.641	50	30		CDEARM
CCN1C(=O)CS/C1=N/c1ccc(C(=O)[O-])cc1	ZINC000061966154	285172322	/nfs/dbraw/zinc/17/23/22/285172322.db2.gz	CSRREVVARNXTCL-OUKQBFOZSA-N	-1	0	264.306	1.968	50	30		CDEARM
N#CC(C(=O)N1CCCC1)=C([O-])c1ccc(F)cc1	ZINC000103259606	397894884	/nfs/dbraw/zinc/89/48/84/397894884.db2.gz	IYMHVDSBMJLHGR-GFCCVEGCSA-N	-1	0	260.268	1.771	50	30		CDEARM
C=CCN1C(=O)C[C@@H](Sc2ccccc2C(=O)[O-])C1=O	ZINC000005016017	170055823	/nfs/dbraw/zinc/05/58/23/170055823.db2.gz	CUHDUFAYFINIDM-LLVKDONJSA-N	-1	0	291.328	1.790	50	30		CDEARM
N#CCCCS(=O)(=O)c1ccc(C(=O)[O-])cc1	ZINC000019488881	170814255	/nfs/dbraw/zinc/81/42/55/170814255.db2.gz	DABPXPFVVLXWRA-UHFFFAOYSA-N	-1	0	253.279	1.462	50	30		CDEARM
COCc1nc(NC(=O)Cc2ccccc2C(=O)[O-])n[nH]1	ZINC000071288252	176110626	/nfs/dbraw/zinc/11/06/26/176110626.db2.gz	YEDGYXDLTAUNDW-UHFFFAOYSA-N	-1	0	290.279	1.480	50	30		CDEARM
N#Cc1cc([N+](=O)[O-])c(N2CCC[C@H]2C(=O)[O-])cc1C#N	ZINC000004182339	303185925	/nfs/dbraw/zinc/18/59/25/303185925.db2.gz	NWBVZJYKFIYRTB-JTQLQIEISA-N	-1	0	286.247	1.392	50	30		CDEARM
C=C(C)C[C@H](C)C(=O)N1C[C@H](OC)C[C@@H]1CC(=O)[O-]	ZINC000263148792	330045861	/nfs/dbraw/zinc/04/58/61/330045861.db2.gz	URLODKLBWCEFBB-QJPTWQEYSA-N	-1	0	269.341	1.679	50	30		CDEARM
CC1=CC(=O)C(=C([O-])C=Cc2ccc(N(C)C)cc2)C(=O)O1	ZINC000019309155	846864831	/nfs/dbraw/zinc/86/48/31/846864831.db2.gz	QSJDEBQAWBVIIF-YXMGTMDOSA-N	-1	0	299.326	1.981	50	30		CDEARM
C[C@H](CC#N)[C@H](NC(=O)OCc1ccccc1)C(=O)[O-]	ZINC000700402847	847695038	/nfs/dbraw/zinc/69/50/38/847695038.db2.gz	JIIKNXVKSNGGRQ-PWSUYJOCSA-N	-1	0	276.292	1.916	50	30		CDEARM
C=CCN(CC(=O)[O-])C(=O)c1ccc(F)cc1C	ZINC000126920653	187271427	/nfs/dbraw/zinc/27/14/27/187271427.db2.gz	AEHJZOOJHRYHDY-UHFFFAOYSA-N	-1	0	251.257	1.847	50	30		CDEARM
Cc1n[n-]c(N/N=C/c2ccc(Cl)cc2)nc1=O	ZINC000003901978	356012815	/nfs/dbraw/zinc/01/28/15/356012815.db2.gz	BATQPGOSMIZIHF-AWNIVKPZSA-N	-1	0	263.688	1.573	50	30		CDEARM
CCCCNC(=O)N=S(=O)([O-])c1ccc(F)cc1	ZINC000034460413	356814585	/nfs/dbraw/zinc/81/45/85/356814585.db2.gz	MSJLHLGPUHOYGZ-UHFFFAOYSA-N	-1	0	274.317	1.818	50	30		CDEARM
C=CCN1C(=O)[N-]C(=O)/C(=C/C=C/c2ccccc2)C1=O	ZINC000012343645	361271670	/nfs/dbraw/zinc/27/16/70/361271670.db2.gz	ANZNGTXTGAZNGD-AWTKBBGNSA-N	-1	0	282.299	1.891	50	30		CDEARM
C=CCSC(=S)[N-][C@@H]1CCS(=O)(=O)C1	ZINC000334158943	370282046	/nfs/dbraw/zinc/28/20/46/370282046.db2.gz	HAWHWVYAOBWXSF-SSDOTTSWSA-P	-1	0	252.406	1.525	50	30		CDEARM
N#CC(C(=O)N1CCSCC1)=C([O-])c1ccsc1	ZINC000102759089	373720438	/nfs/dbraw/zinc/72/04/38/373720438.db2.gz	NQJPVIVKIGCIFI-JTQLQIEISA-N	-1	0	280.374	1.646	50	30		CDEARM
CCC(=O)ON[C@H](CC(=O)[O-])c1ccc(OC)c(OC)c1	ZINC000002290625	373740052	/nfs/dbraw/zinc/74/00/52/373740052.db2.gz	QRGRJKPKTVJYBB-SNVBAGLBSA-N	-1	0	297.307	1.677	50	30		CDEARM
C[C@](O)(CNc1nc2c(cc1C#N)CCCC2)C(=O)[O-]	ZINC000263549410	140494507	/nfs/dbraw/zinc/49/45/07/140494507.db2.gz	JPMBLZZJFKBPAQ-AWEZNQCLSA-N	-1	0	275.308	1.080	50	30		CDEARM
N#CCSC1=Nc2ccccc2S(=O)(=O)[N-]1	ZINC000009708805	170384888	/nfs/dbraw/zinc/38/48/88/170384888.db2.gz	GGSIDIYHASZLPK-UHFFFAOYSA-N	-1	0	253.308	1.414	50	30		CDEARM
CCCCCC(=O)/C=C/N1C(=O)CC[C@H]1C(=O)[O-]	ZINC000044125761	175144435	/nfs/dbraw/zinc/14/44/35/175144435.db2.gz	AUYYMNUQCSHJBL-FBOQAHMBSA-N	-1	0	253.298	1.725	50	30		CDEARM
CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC000066055077	278381126	/nfs/dbraw/zinc/38/11/26/278381126.db2.gz	URBDNSCLBSLLFQ-UHFFFAOYSA-N	-1	0	254.286	1.612	50	30		CDEARM
O=C([O-])Cc1sc(NN=Cc2ccccc2)nc1O	ZINC000028050458	849005360	/nfs/dbraw/zinc/00/53/60/849005360.db2.gz	QIJOLPVMRAPYPX-VAENJDROSA-N	-1	0	277.305	1.083	50	30		CDEARM
COc1cc(C([O-])=C[N+](=O)[O-])cc(OC)c1OC	ZINC000100023596	362104959	/nfs/dbraw/zinc/10/49/59/362104959.db2.gz	AZCVMOODRYWMLC-UHFFFAOYSA-N	-1	0	255.226	1.172	50	30		CDEARM
Cc1csc([N-]S(=O)(=O)c2ccc(C#N)cc2)n1	ZINC000019517715	366124121	/nfs/dbraw/zinc/12/41/21/366124121.db2.gz	BVGSWQBXEDVVIR-UHFFFAOYSA-N	-1	0	279.346	1.546	50	30		CDEARM
NC(=O)c1ccc(-c2ccc(CN=Nc3nnn[n-]3)o2)cc1	ZINC000004691486	357762124	/nfs/dbraw/zinc/76/21/24/357762124.db2.gz	MECKIHJOZZEZLG-VIZOYTHASA-N	-1	0	297.278	1.005	50	30		CDEARM
CON=C(C(=O)[O-])C1=NNC(=Nc2ccccc2)SC1	ZINC000000197677	359290035	/nfs/dbraw/zinc/29/00/35/359290035.db2.gz	UZWLVLNXOOFWOM-YBEGLDIGSA-N	-1	0	292.320	1.644	50	30		CDEARM
Cc1ncsc1C([O-])=C(C#N)C(=O)NC1CCCC1	ZINC000102708138	373639776	/nfs/dbraw/zinc/63/97/76/373639776.db2.gz	PYJXPPSAGFGPQM-JTQLQIEISA-N	-1	0	277.349	1.833	50	30		CDEARM
CC(=CC(=O)[N-]S(=O)(=O)N(C)C)c1ccc(F)cc1	ZINC000096313770	256773493	/nfs/dbraw/zinc/77/34/93/256773493.db2.gz	CQEFRBQXCPZPOW-CMDGGOBGSA-N	-1	0	286.328	1.992	50	30		CDEARM
N#Cc1cc(C(=O)[O-])cc(C=O)c1Br	ZINC000263624765	303179954	/nfs/dbraw/zinc/17/99/54/303179954.db2.gz	TZMOKLWEECARPE-UHFFFAOYSA-N	-1	0	254.039	1.831	50	30		CDEARM
N#Cc1ccc(S(=O)(=O)[N-]c2cnc3ccnn3c2)cc1	ZINC000225576342	303199596	/nfs/dbraw/zinc/19/95/96/303199596.db2.gz	OOCJCPCIUYOTMO-UHFFFAOYSA-N	-1	0	299.315	1.402	50	30		CDEARM
C=CCOc1cccnc1C(=O)N(C)[C@H](C)C(=O)[O-]	ZINC000263574798	330059642	/nfs/dbraw/zinc/05/96/42/330059642.db2.gz	NZMIZZBIVMJTCL-SECBINFHSA-N	-1	0	264.281	1.192	50	30		CDEARM
Cc1cc([O-])c(C(=O)/C=C/c2ccccn2)c(=O)o1	ZINC000022018187	709870300	/nfs/dbraw/zinc/87/03/00/709870300.db2.gz	RHIKTMIGUJOIHK-AATRIKPKSA-N	-1	0	257.245	1.945	50	30		CDEARM
C[C@@H](CC#N)[C@H](NC(=O)OCc1ccccc1)C(=O)[O-]	ZINC000700402846	710851274	/nfs/dbraw/zinc/85/12/74/710851274.db2.gz	JIIKNXVKSNGGRQ-JQWIXIFHSA-N	-1	0	276.292	1.916	50	30		CDEARM
CC(=O)N1C(=O)/C(=N/[O-])c2c1ccc(C)c2Br	ZINC000006863686	711777372	/nfs/dbraw/zinc/77/73/72/711777372.db2.gz	KJPSYBJGNVVPDV-JLHYYAGUSA-N	-1	0	297.108	1.829	50	30		CDEARM
N#CC1([N-]S(=O)(=O)c2onc(C3CC3)c2Cl)CC1	ZINC000864095735	711819039	/nfs/dbraw/zinc/81/90/39/711819039.db2.gz	YXWHUXMASNLDBK-UHFFFAOYSA-N	-1	0	287.728	1.540	50	30		CDEARM
C#CCCC1(CCC(=O)N2CCC[C@@]2(C)C(=O)[O-])N=N1	ZINC000952876163	910431823	/nfs/dbraw/zinc/43/18/23/910431823.db2.gz	DACRGBGONPSQED-ZDUSSCGKSA-N	-1	0	277.324	1.808	50	30		CDEARM
O=C([O-])C[C@H]1SC(=NN=Cc2ccc(F)cc2)NC1=O	ZINC000252602953	361870436	/nfs/dbraw/zinc/87/04/36/361870436.db2.gz	FMXAJPBZKIEHEK-SECBINFHSA-N	-1	0	295.295	1.222	50	30		CDEARM
Cc1cc(NC[C@H](C(=O)[O-])C2CCOCC2)c(C#N)cn1	ZINC000685943842	539046088	/nfs/dbraw/zinc/04/60/88/539046088.db2.gz	BQWOIYBFTZQDIN-ZDUSSCGKSA-N	-1	0	289.335	1.223	50	30		CDEARM
Cc1ccc(/N=C2\NC(=O)[C@H](CC(=O)[O-])S2)cc1	ZINC000001780115	355951509	/nfs/dbraw/zinc/95/15/09/355951509.db2.gz	QKEZXBBAQDLHKN-VIFPVBQESA-N	-1	0	264.306	1.689	50	30		CDEARM
CCc1c(C)nc2[nH]c([N-]C(=O)C(F)(F)F)nn2c1=O	ZINC000015938847	356427571	/nfs/dbraw/zinc/42/75/71/356427571.db2.gz	CYBPILHDPJVXEG-UHFFFAOYSA-N	-1	0	289.217	1.851	50	30		CDEARM
C=CCN(CC(=O)[O-])S(=O)(=O)c1ccc(Cl)cc1	ZINC000002633017	358734250	/nfs/dbraw/zinc/73/42/50/358734250.db2.gz	AZGQALIAMDAIST-UHFFFAOYSA-N	-1	0	289.740	1.601	50	30		CDEARM
C=C(CC(=O)OCc1ccc(OC)cc1)C(=O)[O-]	ZINC000001433367	361460544	/nfs/dbraw/zinc/46/05/44/361460544.db2.gz	RUWJSSDMIGOBCS-UHFFFAOYSA-N	-1	0	250.250	1.769	50	30		CDEARM
Nc1nnnn1N=Cc1cc(Cl)cc(Cl)c1[O-]	ZINC000252613766	368740029	/nfs/dbraw/zinc/74/00/29/368740029.db2.gz	JDWZPNVADVPMTH-UHFFFAOYSA-N	-1	0	273.083	1.150	50	30		CDEARM
O=c1[n-]c(=O)c(C(F)(C(F)(F)F)C(F)(F)F)c[nH]1	ZINC000001631667	370270681	/nfs/dbraw/zinc/27/06/81/370270681.db2.gz	RUKXKUXHBRQYLK-UHFFFAOYSA-N	-1	0	280.099	1.353	50	30		CDEARM
N#Cc1c(=O)[n-]c(N2CCCCC2)nc1-c1ccco1	ZINC000008661235	374227129	/nfs/dbraw/zinc/22/71/29/374227129.db2.gz	JAKRCRJTTZABIC-UHFFFAOYSA-N	-1	0	270.292	1.892	50	30		CDEARM
N#CC(=N[O-])C(=O)NC(=O)Nc1ccccc1Cl	ZINC000252604793	374250533	/nfs/dbraw/zinc/25/05/33/374250533.db2.gz	GDCWSCBHQLKQOS-UHFFFAOYSA-N	-1	0	266.644	1.342	50	30		CDEARM
CCOc1cc(CN=NC(=S)NC)cc([N+](=O)[O-])c1[O-]	ZINC000019793751	374791177	/nfs/dbraw/zinc/79/11/77/374791177.db2.gz	LQIKUNSBCAMEBB-AWNIVKPZSA-N	-1	0	298.324	1.538	50	30		CDEARM
CC(=O)[N-]S(=O)(=O)c1ccc2c(c1)N(C)CCC2	ZINC000095411666	374915168	/nfs/dbraw/zinc/91/51/68/374915168.db2.gz	NSYLOLUYYSKBNQ-UHFFFAOYSA-N	-1	0	268.338	1.734	50	30		CDEARM
CCNC(=O)/C(=N\[O-])P(=O)(OCC)OCC	ZINC000004786039	170016958	/nfs/dbraw/zinc/01/69/58/170016958.db2.gz	NCBHUYFBBUTUOY-CSKARUKUSA-N	-1	0	252.207	1.176	50	30		CDEARM
C=CCSc1ncccc1-c1nn(CC(=O)[O-])c(=O)o1	ZINC000020357855	171157477	/nfs/dbraw/zinc/15/74/77/171157477.db2.gz	PUQMHMPHZSNKCJ-UHFFFAOYSA-N	-1	0	293.304	1.261	50	30		CDEARM
N#CCCCS(=O)(=O)[N-]C(=O)Cc1cccs1	ZINC000096493325	534618674	/nfs/dbraw/zinc/61/86/74/534618674.db2.gz	WBYLATKPCJXIFC-UHFFFAOYSA-N	-1	0	272.351	1.881	50	30		CDEARM
C#CCCC1(CCC(=O)N2CCC[C@H]2C(=O)[O-])N=N1	ZINC000952876398	910431843	/nfs/dbraw/zinc/43/18/43/910431843.db2.gz	PIIKBIVSROOINV-JTQLQIEISA-N	-1	0	263.297	1.418	50	30		CDEARM
C#CCCC1(CCC(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)N=N1	ZINC000952878981	910434487	/nfs/dbraw/zinc/43/44/87/910434487.db2.gz	LBXYEPOFEQXPFT-NWDGAFQWSA-N	-1	0	291.351	1.911	50	30		CDEARM
C#CCCC1(CCC(=O)N2CCOC[C@@H]2CC(=O)[O-])N=N1	ZINC000952879725	910438172	/nfs/dbraw/zinc/43/81/72/910438172.db2.gz	ALVRDPFQKKNNMR-NSHDSACASA-N	-1	0	293.323	1.044	50	30		CDEARM
N#Cc1ccc(C(=O)N2CCCSCC2)c([O-])c1	ZINC000585121251	930987225	/nfs/dbraw/zinc/98/72/25/930987225.db2.gz	KCUCLMLKVWTHMB-UHFFFAOYSA-N	-1	0	262.334	1.843	50	30		CDEARM
Cc1ccc(C(=O)[N-]S(=O)(=O)Cc2ccon2)s1	ZINC000096446457	230374781	/nfs/dbraw/zinc/37/47/81/230374781.db2.gz	LADLHQLDEJRYNG-UHFFFAOYSA-N	-1	0	286.334	1.879	50	30		CDEARM
N#Cc1c2c(c(=O)[n-]c1N)C(=O)N[C@@H]2c1ccccc1	ZINC000253496444	361950164	/nfs/dbraw/zinc/95/01/64/361950164.db2.gz	BLHCNDGLGAMJDB-LLVKDONJSA-N	-1	0	266.260	1.074	50	30		CDEARM
Cc1cc(C)c2ncc(C#N)c(NC[C@@](C)(O)C(=O)[O-])c2c1	ZINC000263560783	366339483	/nfs/dbraw/zinc/33/94/83/366339483.db2.gz	RHCJPDORXHLLCO-MRXNPFEDSA-N	-1	0	299.330	1.971	50	30		CDEARM
Cc1c(C=Nn2cnnc2)[n-]n(-c2ccccc2)c1=O	ZINC000000055319	356812758	/nfs/dbraw/zinc/81/27/58/356812758.db2.gz	QLLPQCKUVOAMGK-FRKPEAEDSA-N	-1	0	268.280	1.360	50	30		CDEARM
Cc1[n-]oc(=O)c1N=Nc1ccc(Cl)c(C(N)=O)c1	ZINC000100151875	358821848	/nfs/dbraw/zinc/82/18/48/358821848.db2.gz	AUOFQYUQRGUWAL-OQLLNIDSSA-N	-1	0	280.671	1.140	50	30		CDEARM
CCOC(=O)c1n[n-]n(N=Cc2ccc(OC)cc2)c1=O	ZINC000033428856	359331129	/nfs/dbraw/zinc/33/11/29/359331129.db2.gz	SFHQTMAXVGLRSR-ZSOIEALJSA-N	-1	0	290.279	1.051	50	30		CDEARM
CCOC(=O)C(C#N)=NNc1ccccc1C(=O)[O-]	ZINC000002310485	373754238	/nfs/dbraw/zinc/75/42/38/373754238.db2.gz	QTKLKPFTUVLLJF-XNTDXEJSSA-N	-1	0	261.237	1.239	50	30		CDEARM
O=c1oc2ccccc2c([O-])c1C=Nc1ncccn1	ZINC000103722984	374162930	/nfs/dbraw/zinc/16/29/30/374162930.db2.gz	QIBMFKMQGNFMMK-CSKARUKUSA-N	-1	0	267.244	1.574	50	30		CDEARM
CNC(=O)C(C#N)=C([O-])c1ccc(Br)o1	ZINC000100871194	397746017	/nfs/dbraw/zinc/74/60/17/397746017.db2.gz	GERCZGSGIYOOOI-YFKPBYRVSA-N	-1	0	271.070	1.111	50	30		CDEARM
CCOC(=O)C(C#N)=C([O-])c1ccc([N+](=O)[O-])cc1	ZINC000000032512	397968613	/nfs/dbraw/zinc/96/86/13/397968613.db2.gz	UKBSTFRRKWGHPS-SNVBAGLBSA-N	-1	0	262.221	1.480	50	30		CDEARM
CS(=O)(=O)[N-]C(=O)c1ncccc1OCC(F)(F)F	ZINC000083937410	483222337	/nfs/dbraw/zinc/22/23/37/483222337.db2.gz	FBBIGOHZFNXGPK-UHFFFAOYSA-N	-1	0	298.242	1.287	50	30		CDEARM
CCCCNC(N)=NC(=O)c1cc(Cl)ccc1[O-]	ZINC000033692492	520553810	/nfs/dbraw/zinc/55/38/10/520553810.db2.gz	VCUHXPRGVIQMMO-UHFFFAOYSA-N	-1	0	269.732	1.890	50	30		CDEARM
CCCN(C)S(=O)(=O)[N-]C(=O)C[C@@H]1C=CCC1	ZINC000089955533	521502125	/nfs/dbraw/zinc/50/21/25/521502125.db2.gz	GZZOAHRFSLMLOZ-SNVBAGLBSA-N	-1	0	260.359	1.886	50	30		CDEARM
C#CCCC1(CCC(=O)NCc2nc(C(=O)[O-])co2)N=N1	ZINC000952876430	910431837	/nfs/dbraw/zinc/43/18/37/910431837.db2.gz	PVZXPTYIQYTORR-UHFFFAOYSA-N	-1	0	290.279	1.345	50	30		CDEARM
Cc1nnc([N-]S(=O)(=O)c2ccc(CC#N)cc2)s1	ZINC000096459907	230377655	/nfs/dbraw/zinc/37/76/55/230377655.db2.gz	XRPDDHXEKKYESM-UHFFFAOYSA-N	-1	0	294.361	1.713	50	30		CDEARM
CS(=O)(=O)[N-]C(=O)c1cccc2ncccc21	ZINC000097034273	185157692	/nfs/dbraw/zinc/15/76/92/185157692.db2.gz	VXAQLXIIXIZKLP-UHFFFAOYSA-N	-1	0	250.279	1.499	50	30		CDEARM
N=C(NO)/C(=N\[O-])c1ncc(C(F)(F)F)cc1Cl	ZINC000261494976	539051883	/nfs/dbraw/zinc/05/18/83/539051883.db2.gz	ZATRVVLEIYJFKN-UUASQNMZSA-N	-1	0	282.609	1.888	50	30		CDEARM
Cc1[nH]nc([N-]S(=O)(=O)c2cccc(C#N)c2)c1C#N	ZINC000097375669	356097884	/nfs/dbraw/zinc/09/78/84/356097884.db2.gz	NNUJRIVJSRNPHY-UHFFFAOYSA-N	-1	0	287.304	1.262	50	30		CDEARM
Cc1csc(=NN=Cc2ccc([O-])c([N+](=O)[O-])c2)[nH]1	ZINC000019791608	356503697	/nfs/dbraw/zinc/50/36/97/356503697.db2.gz	VZFBGCIVJNIEEI-LFYBBSHMSA-N	-1	0	278.293	1.933	50	30		CDEARM
CC(C)C[C@@H](NC(=O)C1(C#N)CCCC1)C(=O)[O-]	ZINC000194948077	358544945	/nfs/dbraw/zinc/54/49/45/358544945.db2.gz	IOJMPZXPJIAENC-SNVBAGLBSA-N	-1	0	252.314	1.686	50	30		CDEARM
CCn1cc(S(=O)(=O)[N-]C(=O)c2cccs2)nc1C	ZINC000095455858	374954045	/nfs/dbraw/zinc/95/40/45/374954045.db2.gz	QEXVDGXKBMOVTO-UHFFFAOYSA-N	-1	0	299.377	1.966	50	30		CDEARM
Cn1cc(C(=O)c2cc(F)ccc2[O-])cc(C#N)c1=O	ZINC000002650729	375287887	/nfs/dbraw/zinc/28/78/87/375287887.db2.gz	SGTSCHIAZHARNC-UHFFFAOYSA-N	-1	0	272.235	1.333	50	30		CDEARM
COC(=O)c1cc(Br)cc([O-])c1C#N	ZINC000263624410	190071114	/nfs/dbraw/zinc/07/11/14/190071114.db2.gz	QERMNFCICIUSTJ-UHFFFAOYSA-N	-1	0	256.055	1.813	50	30		CDEARM
O=C([O-])C[C@H]1S/C(=N/N=C/[C@H]2CC=CCC2)NC1=O	ZINC000004844762	170029320	/nfs/dbraw/zinc/02/93/20/170029320.db2.gz	LCXSJKUTAYWTNE-IWLYLNEASA-N	-1	0	281.337	1.391	50	30		CDEARM
COc1ccc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)cc1	ZINC000110516896	424643135	/nfs/dbraw/zinc/64/31/35/424643135.db2.gz	GNFWIWOKPJMDBY-KKTNHOPESA-N	-1	0	286.283	1.923	50	30		CDEARM
C=C(C)COc1cccc(C(=O)N[C@H](C)c2nnn[n-]2)c1	ZINC000055154200	518619110	/nfs/dbraw/zinc/61/91/10/518619110.db2.gz	OBQUNTVCBLNVBX-SNVBAGLBSA-N	-1	0	287.323	1.646	50	30		CDEARM
C=CCc1cc(/C=C2/NC(=O)[N-]C2=O)cc(OCC)c1O	ZINC000014011364	527227259	/nfs/dbraw/zinc/22/72/59/527227259.db2.gz	JRDHRKMHYCEFHH-YRNVUSSQSA-N	-1	0	288.303	1.700	50	30		CDEARM
C=CCn1c(SCc2nc(C)oc2C)n[n-]c1=N	ZINC000585124149	930993823	/nfs/dbraw/zinc/99/38/23/930993823.db2.gz	ZBGFPRZSGKUIPB-UHFFFAOYSA-N	-1	0	265.342	1.774	50	30		CDEARM
Cn1c2c([n+]([O-])c1-c1ccccc1)/C(=N/[O-])CCC2	ZINC000013111314	342052614	/nfs/dbraw/zinc/05/26/14/342052614.db2.gz	JDPRYHPNXWVRRW-RVDMUPIBSA-N	-1	0	257.293	1.840	50	30		CDEARM
C=CCNC(=S)[N-]S(=O)(=O)c1ccc(CC)cc1	ZINC000004538078	356391316	/nfs/dbraw/zinc/39/13/16/356391316.db2.gz	PXTZJIRDYZYRDC-UHFFFAOYSA-N	-1	0	284.406	1.588	50	30		CDEARM
CN1C(=O)C[C@H](C(=O)[O-])S/C1=N\c1ccc(F)cc1	ZINC000018208614	366255398	/nfs/dbraw/zinc/25/53/98/366255398.db2.gz	TZEVEERZPLQFTQ-USPJWIJHSA-N	-1	0	282.296	1.862	50	30		CDEARM
C#CCSc1ncc(C(=O)[O-])c(C(OC)OC)n1	ZINC000003125885	357354868	/nfs/dbraw/zinc/35/48/68/357354868.db2.gz	VPBZJJRVYBBTLD-UHFFFAOYSA-N	-1	0	268.294	1.192	50	30		CDEARM
CCOc1ccc(N=Nc2c(N)[n-]n(C(C)=O)c2=N)cc1	ZINC000016949007	358697179	/nfs/dbraw/zinc/69/71/79/358697179.db2.gz	GSHWSBWCMHSHJP-AYNBLPLNSA-N	-1	0	288.311	1.174	50	30		CDEARM
CCOC([O-])=NC(=O)C(C#N)=NNc1ccccc1	ZINC000003137888	373666266	/nfs/dbraw/zinc/66/62/66/373666266.db2.gz	WKJSRUISZVKTOM-MHWRWJLKSA-N	-1	0	260.253	1.251	50	30		CDEARM
CCOC(=O)NC(=O)CSc1nc(C)cc(C)c1C#N	ZINC000002343997	373765655	/nfs/dbraw/zinc/76/56/55/373765655.db2.gz	UWKDYAQABYPMTM-UHFFFAOYSA-N	-1	0	293.348	1.935	50	30		CDEARM
O=C(Nc1cccnc1)C(=N[O-])C(=O)c1ccccc1	ZINC000254300993	374051783	/nfs/dbraw/zinc/05/17/83/374051783.db2.gz	YGTFPZMWQMOGLG-UHFFFAOYSA-N	-1	0	269.260	1.733	50	30		CDEARM
CCOC(=O)C(C(=O)OCC)=C1[N-]c2ccccc2C1=O	ZINC000003901060	169922614	/nfs/dbraw/zinc/92/26/14/169922614.db2.gz	DCHVBIYTAAXWSY-UHFFFAOYSA-N	-1	0	289.287	1.675	50	30		CDEARM
O=C([O-])COc1ccccc1CN=Nc1ccccn1	ZINC000004982604	170048441	/nfs/dbraw/zinc/04/84/41/170048441.db2.gz	VXVPUBULTBYKSV-CXUHLZMHSA-N	-1	0	271.276	1.991	50	30		CDEARM
C=CCn1cnc2sc(C(=O)[O-])c(C)c2c1=O	ZINC000019992288	277895981	/nfs/dbraw/zinc/89/59/81/277895981.db2.gz	RTIIUKGOIOGRSN-UHFFFAOYSA-N	-1	0	250.279	1.651	50	30		CDEARM
N#CC1=C([O-])NC(=S)N[C@H]1c1ccc(Cl)cc1	ZINC000017124917	303166746	/nfs/dbraw/zinc/16/67/46/303166746.db2.gz	ABMFAEYEKHNRPB-BDAKNGLRSA-N	-1	0	265.725	1.525	50	30		CDEARM
C[C@@H](C#N)C[C@@H](NC(=O)OCc1ccccc1)C(=O)[O-]	ZINC000700360191	678790492	/nfs/dbraw/zinc/79/04/92/678790492.db2.gz	RGJJXHGPIXLNLP-ZYHUDNBSSA-N	-1	0	276.292	1.916	50	30		CDEARM
CC1=CC(=O)C(=C([O-])C=Cc2ccsc2)C(=O)O1	ZINC000111684754	679618385	/nfs/dbraw/zinc/61/83/85/679618385.db2.gz	RYWPDRBUCCDQJR-ZZKXABKFSA-N	-1	0	262.286	1.976	50	30		CDEARM
C#CCCC1(CCC(=O)N2CC(C)(C(=O)[O-])C2)N=N1	ZINC000952876268	910431931	/nfs/dbraw/zinc/43/19/31/910431931.db2.gz	JEESLUTWKUAOBY-UHFFFAOYSA-N	-1	0	263.297	1.275	50	30		CDEARM
N#CCCN(Cc1ccccc1)C(=O)CSCC(=O)[O-]	ZINC000004325335	356027504	/nfs/dbraw/zinc/02/75/04/356027504.db2.gz	YZPYRUSOXMMHQD-UHFFFAOYSA-N	-1	0	292.360	1.747	50	30		CDEARM
CC(=NNc1ccc(Cl)cc1)C1C(=O)[N-]C(=O)NC1=O	ZINC000017146917	356455328	/nfs/dbraw/zinc/45/53/28/356455328.db2.gz	WUCMSZFUHSCSJP-OMCISZLKSA-N	-1	0	294.698	1.258	50	30		CDEARM
C=CCNC(=O)c1c([O-])c2ccccc2n(C)c1=O	ZINC000100508740	358831244	/nfs/dbraw/zinc/83/12/44/358831244.db2.gz	MLFNQOSKGYVRFB-UHFFFAOYSA-N	-1	0	258.277	1.160	50	30		CDEARM
CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cn[nH]c1	ZINC000084791125	359001273	/nfs/dbraw/zinc/00/12/73/359001273.db2.gz	BJSSUTHZPFPROA-UHFFFAOYSA-N	-1	0	291.336	1.514	50	30		CDEARM
O=C([O-])C[C@@H]1S/C(=N/N=C[C@@H]2CC=CCC2)NC1=O	ZINC000252511840	367681011	/nfs/dbraw/zinc/68/10/11/367681011.db2.gz	LCXSJKUTAYWTNE-BDAKNGLRSA-N	-1	0	281.337	1.391	50	30		CDEARM
C=C(C)C(=O)Nc1cc(OC)c(OC)cc1C(=O)[O-]	ZINC000004040397	184529967	/nfs/dbraw/zinc/52/99/67/184529967.db2.gz	NCPKOEHRRNRQGQ-UHFFFAOYSA-N	-1	0	265.265	1.917	50	30	biogenic	CDEARM
COc1cc(C([O-])=C(C#N)C(=O)NCC(C)C)ccc1F	ZINC000101671897	397809856	/nfs/dbraw/zinc/80/98/56/397809856.db2.gz	HOEBWBSHNGAJQQ-LLVKDONJSA-N	-1	0	292.310	1.929	50	30		CDEARM
CNC(=O)C(C#N)=C([O-])c1ccc(Br)o1	ZINC000100871196	397745943	/nfs/dbraw/zinc/74/59/43/397745943.db2.gz	GERCZGSGIYOOOI-RXMQYKEDSA-N	-1	0	271.070	1.111	50	30		CDEARM
N#CCOc1ccccc1[C@H]1N[C@H](C(=O)[O-])CS1	ZINC000004992615	170051335	/nfs/dbraw/zinc/05/13/35/170051335.db2.gz	ZALCOFDLEUBSTK-ONGXEEELSA-N	-1	0	264.306	1.377	50	30		CDEARM
Cc1csc(=NN=Cc2cc([N+](=O)[O-])ccc2[O-])[nH]1	ZINC000020123755	171005177	/nfs/dbraw/zinc/00/51/77/171005177.db2.gz	OOSURUUPZIFHJS-LFYBBSHMSA-N	-1	0	278.293	1.933	50	30		CDEARM
COc1ccc(/N=C2\S[C@@H](C(=O)[O-])CC(=O)N2C)cc1	ZINC000012417078	295063384	/nfs/dbraw/zinc/06/33/84/295063384.db2.gz	SHHMYICJNAACAQ-YAWLZAOSSA-N	-1	0	294.332	1.731	50	30		CDEARM
C#CCCC1(CCC(=O)N2C[C@@H](OC)C[C@H]2C(=O)[O-])N=N1	ZINC000952880314	910440777	/nfs/dbraw/zinc/44/07/77/910440777.db2.gz	AELQFPFMFMFNDU-QWRGUYRKSA-N	-1	0	293.323	1.043	50	30		CDEARM
CCCCNC(=O)N=S(=O)([O-])c1ccc(CO)cc1	ZINC000002516902	341991703	/nfs/dbraw/zinc/99/17/03/341991703.db2.gz	SJRHYONYKZIRPM-UHFFFAOYSA-N	-1	0	286.353	1.171	50	30	endogenous,world	CDEARM
N#Cc1c(N)c2c(c([O-])c1C#N)C(=O)c1ccccc1C2=O	ZINC000003880361	283076953	/nfs/dbraw/zinc/07/69/53/283076953.db2.gz	MFVRNTLOEGHWAF-UHFFFAOYSA-N	-1	0	289.250	1.493	50	30		CDEARM
N#CCOc1ccccc1[C@@H]1N[C@@H](C(=O)[O-])CS1	ZINC000002584208	355976281	/nfs/dbraw/zinc/97/62/81/355976281.db2.gz	ZALCOFDLEUBSTK-MWLCHTKSSA-N	-1	0	264.306	1.377	50	30		CDEARM
CSC(=N)NN=Cc1cc([N+](=O)[O-])ccc1[O-]	ZINC000019720547	356497054	/nfs/dbraw/zinc/49/70/54/356497054.db2.gz	UERQQAIZKPRJJC-VZUCSPMQSA-N	-1	0	254.271	1.312	50	30		CDEARM
COC(=O)C1=C(C)NC(=Cc2ccc(C(=O)[O-])cc2)C1=O	ZINC000033309806	358229518	/nfs/dbraw/zinc/22/95/18/358229518.db2.gz	MYBVEVQRRAVRHG-XFFZJAGNSA-N	-1	0	287.271	1.345	50	30		CDEARM
N#Cc1ccc(OCC(=O)N2CCC(C(=O)[O-])CC2)cc1	ZINC000013167166	366451007	/nfs/dbraw/zinc/45/10/07/366451007.db2.gz	RUSUSCUKIYXJCU-UHFFFAOYSA-N	-1	0	288.303	1.260	50	30		CDEARM
C#CCn1cc(CN=c2nc(CC(C)C)[n-]s2)cn1	ZINC000521394081	359966571	/nfs/dbraw/zinc/96/65/71/359966571.db2.gz	XYUNUBGHFOINGV-UHFFFAOYSA-N	-1	0	275.381	1.600	50	30		CDEARM
O=[N+]([O-])c1cccc(-c2ccc(CN=Nc3nnn[n-]3)o2)c1	ZINC000252595882	368356406	/nfs/dbraw/zinc/35/64/06/368356406.db2.gz	CEYNFNFHSSBBKR-UHFFFAOYSA-N	-1	0	299.250	1.814	50	30		CDEARM
N#Cc1ccc(C(=O)N2CCC[C@@H](C(=O)[O-])C2)cc1	ZINC000013170341	374659019	/nfs/dbraw/zinc/65/90/19/374659019.db2.gz	CUCMXUSQMZQJSR-GFCCVEGCSA-N	-1	0	258.277	1.495	50	30		CDEARM
Cc1cc([O-])c(C(=O)/C=C/c2cccn2C)c(=O)o1	ZINC000071784923	379638301	/nfs/dbraw/zinc/63/83/01/379638301.db2.gz	IRBYJAKZFDXBJQ-AATRIKPKSA-N	-1	0	259.261	1.888	50	30		CDEARM
CCN1C(C(C)=O)=C([O-])c2ccccc2S1(=O)=O	ZINC000038790241	285179289	/nfs/dbraw/zinc/17/92/89/285179289.db2.gz	LRHMRKQEBZKXKQ-UHFFFAOYSA-N	-1	0	267.306	1.526	50	30		CDEARM
COCCCNC(=O)C(C#N)=C([O-])c1ccc(C)c(F)c1	ZINC000103502850	397906423	/nfs/dbraw/zinc/90/64/23/397906423.db2.gz	MCFNVZAULKDHCG-LBPRGKRZSA-N	-1	0	292.310	1.609	50	30		CDEARM
O=[N+]([O-])c1cc(/C=N/n2cnnc2)c([O-])c2ccccc21	ZINC000000296719	304798562	/nfs/dbraw/zinc/79/85/62/304798562.db2.gz	YWXZXJHZQPHIJB-OMCISZLKSA-N	-1	0	283.247	1.927	50	30		CDEARM
N#CCCN(Cc1cccs1)C(=O)CSCC(=O)[O-]	ZINC000004332784	526459496	/nfs/dbraw/zinc/45/94/96/526459496.db2.gz	PKHYAANOSWAYNI-UHFFFAOYSA-N	-1	0	298.389	1.808	50	30		CDEARM
Cc1ccc(F)c(S(=O)(=O)[N-]c2c(C#N)cnn2C)c1	ZINC000097163187	185552314	/nfs/dbraw/zinc/55/23/14/185552314.db2.gz	SFLWACPSLDOSNS-UHFFFAOYSA-N	-1	0	294.311	1.540	50	30		CDEARM
NC(=S)N/N=C/c1cccn1-c1ccc(C(=O)[O-])cc1	ZINC000004682254	356041075	/nfs/dbraw/zinc/04/10/75/356041075.db2.gz	KWYPPLDJOOHEAP-OVCLIPMQSA-N	-1	0	288.332	1.343	50	30		CDEARM
O=C([O-])C[C@H]1S/C(=N/N=C[C@@H]2CC=CCC2)NC1=O	ZINC000252511843	367681043	/nfs/dbraw/zinc/68/10/43/367681043.db2.gz	LCXSJKUTAYWTNE-RKDXNWHRSA-N	-1	0	281.337	1.391	50	30		CDEARM
C=CCN(CC(=O)[O-])C(=O)Cc1ccc(F)cc1F	ZINC000095066350	373707324	/nfs/dbraw/zinc/70/73/24/373707324.db2.gz	NPNMCEJVKDRRPE-UHFFFAOYSA-N	-1	0	269.247	1.607	50	30		CDEARM
[O-]/N=C(/c1ncon1)N1CCN(c2ccccc2)CC1	ZINC000020178437	374853414	/nfs/dbraw/zinc/85/34/14/374853414.db2.gz	BTASQBBFKAGQRR-SQFISAMPSA-N	-1	0	273.296	1.028	50	30		CDEARM
Cc1cc([O-])c(C(=O)/C=C/c2ccncc2)c(=O)o1	ZINC000004663579	260015877	/nfs/dbraw/zinc/01/58/77/260015877.db2.gz	ZSBPEMYSEGRXDP-NSCUHMNNSA-N	-1	0	257.245	1.945	50	30		CDEARM
CCOC(=O)C(N=Nc1ccccc1C#N)C(C)=O	ZINC000004548403	390213443	/nfs/dbraw/zinc/21/34/43/390213443.db2.gz	IOVBZZMUXDFRMU-FOWTUZBSSA-N	-1	0	259.265	1.478	50	30		CDEARM
COCC[C@@]1(C(=O)[O-])CCCN(c2ccc(C#N)cn2)C1	ZINC000091680701	135073407	/nfs/dbraw/zinc/07/34/07/135073407.db2.gz	KKPZVEHESIDKEX-HNNXBMFYSA-N	-1	0	289.335	1.661	50	30		CDEARM
COc1ccc([N-]N=C2C(=O)ON=C2C)c([N+](=O)[O-])c1	ZINC000102033985	397830396	/nfs/dbraw/zinc/83/03/96/397830396.db2.gz	GJHIOMCYIMMFPZ-JLHYYAGUSA-N	-1	0	278.224	1.304	50	30		CDEARM
Cc1occc1C([O-])=C(C#N)C(=O)NC[C@@H]1CCCO1	ZINC000103502303	397906354	/nfs/dbraw/zinc/90/63/54/397906354.db2.gz	MACVILFHAPAQNZ-JQWIXIFHSA-N	-1	0	276.292	1.206	50	30		CDEARM
COC[C@H](C)NC(=O)C(C#N)=C([O-])c1ccc(Cl)cc1	ZINC000103502903	397906684	/nfs/dbraw/zinc/90/66/84/397906684.db2.gz	UNWNJMCNLVDBHQ-JOYOIKCWSA-N	-1	0	294.738	1.814	50	30		CDEARM
N#CCc1nc(=O)[n-]c(Nc2nc3ccccc3[nH]2)n1	ZINC000005204676	170076170	/nfs/dbraw/zinc/07/61/70/170076170.db2.gz	FGXQDUGADYQYPR-UHFFFAOYSA-N	-1	0	267.252	1.263	50	30		CDEARM
CC(C)[C@H](Nc1ccc([N+](=O)[O-])cc1C#N)C(=O)[O-]	ZINC000006673005	170225082	/nfs/dbraw/zinc/22/50/82/170225082.db2.gz	OGHRRRMXSCECGD-NSHDSACASA-N	-1	0	263.253	1.988	50	30		CDEARM
Cc1nn(C)c(C)c1C=Nn1c(C(F)F)n[n-]c1=S	ZINC000008535941	170339092	/nfs/dbraw/zinc/33/90/92/170339092.db2.gz	UNKRYJKFDKRVOC-YIXHJXPBSA-N	-1	0	286.311	1.737	50	30		CDEARM
CCOC(=O)C(=CN[C@H](C(=O)[O-])c1ccccc1)C(C)=O	ZINC000020219267	171081783	/nfs/dbraw/zinc/08/17/83/171081783.db2.gz	UPCXUKHAHUDJKJ-SRXBQZRASA-N	-1	0	291.303	1.438	50	30		CDEARM
CCn1cc(/C=C/C(=O)c2c([O-])cc(C)oc2=O)cn1	ZINC000020606643	171267035	/nfs/dbraw/zinc/26/70/35/171267035.db2.gz	FRAOKGORUAANBO-SNAWJCMRSA-N	-1	0	274.276	1.766	50	30		CDEARM
C=C(Cl)CS(=O)(=O)[N-]C(=O)c1ccc(C#N)cc1	ZINC000097138951	567904873	/nfs/dbraw/zinc/90/48/73/567904873.db2.gz	BXZHDNXMDVOWTL-UHFFFAOYSA-N	-1	0	284.724	1.945	50	30		CDEARM
O=C1COC(=O)C1=C([O-])C=Cc1cccc(Cl)c1	ZINC000107780820	694534935	/nfs/dbraw/zinc/53/49/35/694534935.db2.gz	GVXAMIRIHOYAAV-ZYOFXKKJSA-N	-1	0	264.664	1.664	50	30		CDEARM
CC(=NNc1nnc(C)c(=O)[n-]1)c1cccc([N+](=O)[O-])c1	ZINC000254614772	694890377	/nfs/dbraw/zinc/89/03/77/694890377.db2.gz	YPRUOBICLOWAPP-UHFFFAOYSA-N	-1	0	288.267	1.630	50	30		CDEARM
C#CCCC1(CCC(=O)NC2(C(=O)[O-])CCOCC2)N=N1	ZINC000952883841	910458397	/nfs/dbraw/zinc/45/83/97/910458397.db2.gz	XWZJAAGIVLFSIO-UHFFFAOYSA-N	-1	0	293.323	1.092	50	30		CDEARM
CC(=NN=C1NC(=O)[C@H](CC(=O)[O-])S1)c1ccco1	ZINC000006185342	539069032	/nfs/dbraw/zinc/06/90/32/539069032.db2.gz	NWYKGPYKLJWIEB-BYODANBRSA-N	-1	0	281.293	1.906	50	30		CDEARM
N#Cc1c(NC(=O)CCC(=O)[O-])sc2c1CCC2	ZINC000004660806	357674986	/nfs/dbraw/zinc/67/49/86/357674986.db2.gz	CBZQKTUXYAJFKN-UHFFFAOYSA-N	-1	0	264.306	1.912	50	30		CDEARM
O=[N+]([O-])c1ccc([O-])c(/C=N\C[C@@H]2CCCO2)c1	ZINC000100236884	358823217	/nfs/dbraw/zinc/82/32/17/358823217.db2.gz	SNHLNYWIVLKXBB-HKMIMPICSA-N	-1	0	250.254	1.898	50	30		CDEARM
CC1=CC(=O)C(=C([O-])C=Cc2ccsc2)C(=O)O1	ZINC000102500512	373096909	/nfs/dbraw/zinc/09/69/09/373096909.db2.gz	RYWPDRBUCCDQJR-QAVQXKDTSA-N	-1	0	262.286	1.976	50	30		CDEARM
CCNC(=S)N=S(=O)([O-])c1ccc(F)cc1	ZINC000013544930	285149691	/nfs/dbraw/zinc/14/96/91/285149691.db2.gz	HEIXMYRJXZDATB-UHFFFAOYSA-N	-1	0	262.331	1.410	50	30		CDEARM
Cc1occc1C([O-])=C(C#N)C(=O)NC[C@@H]1CCCO1	ZINC000103502300	397906190	/nfs/dbraw/zinc/90/61/90/397906190.db2.gz	MACVILFHAPAQNZ-CMPLNLGQSA-N	-1	0	276.292	1.206	50	30		CDEARM
Cc1cc(Br)cc2c1N(C)C(=O)/C2=N\[O-]	ZINC000004963257	301070520	/nfs/dbraw/zinc/07/05/20/301070520.db2.gz	NXDMHSSTQNCOIX-WQLSENKSSA-N	-1	0	269.098	1.912	50	30		CDEARM
COC[C@]1(C(=O)[O-])CCCN(C(=O)C2(C#N)CCCC2)C1	ZINC000262906907	330036684	/nfs/dbraw/zinc/03/66/84/330036684.db2.gz	MUBLOXSHNKZECN-HNNXBMFYSA-N	-1	0	294.351	1.410	50	30		CDEARM
CC(C)n1cc(C(=O)/C=C/c2c(C(=O)[O-])cnn2C)cn1	ZINC000585136187	342215845	/nfs/dbraw/zinc/21/58/45/342215845.db2.gz	VDRGJKSMQNLXAL-SNAWJCMRSA-N	-1	0	288.307	1.792	50	30		CDEARM
Cc1n[n-]c(N/N=C/[C@@H](C)c2ccccc2)nc1=O	ZINC000015923651	356427860	/nfs/dbraw/zinc/42/78/60/356427860.db2.gz	JHUPIVHWRIXQRM-MBBDXHFBSA-N	-1	0	257.297	1.675	50	30		CDEARM
CCOC(=O)c1cc(C#N)c(SCC(=O)OC)[n-]c1=O	ZINC000004640863	357512429	/nfs/dbraw/zinc/51/24/29/357512429.db2.gz	LEDHHQMMRSDBEH-UHFFFAOYSA-N	-1	0	296.304	1.101	50	30		CDEARM
CCOC([O-])=NS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000000244536	359389779	/nfs/dbraw/zinc/38/97/79/359389779.db2.gz	QZYXJEYZQBVEGP-UHFFFAOYSA-N	-1	0	274.254	1.234	50	30		CDEARM
N#Cc1ccc(CSc2nc([O-])cc(=O)[nH]2)cc1	ZINC000016669769	360399923	/nfs/dbraw/zinc/39/99/23/360399923.db2.gz	AOYJOZKEESPUBJ-UHFFFAOYSA-N	-1	0	259.290	1.639	50	30		CDEARM
Nc1nnnn1/N=C/c1cc(Cl)cc(Cl)c1[O-]	ZINC000001214910	364121939	/nfs/dbraw/zinc/12/19/39/364121939.db2.gz	JDWZPNVADVPMTH-KGVSQERTSA-N	-1	0	273.083	1.150	50	30		CDEARM
CC(=O)[N-]S(=O)(=O)c1ccc(N=NN(C)C)cc1	ZINC000252609507	368463843	/nfs/dbraw/zinc/46/38/43/368463843.db2.gz	HTPQXNBIHUKXMG-UHFFFAOYSA-N	-1	0	270.314	1.912	50	30		CDEARM
Cc1noc(C)c1S(=O)(=O)[N-]C(=O)COCC1CC1	ZINC000084025701	483235033	/nfs/dbraw/zinc/23/50/33/483235033.db2.gz	CRKJVLGEFQMJRG-UHFFFAOYSA-N	-1	0	288.325	1.363	50	30		CDEARM
CC[C@H](C)S(=O)(=O)[N-]C(=O)c1scnc1C	ZINC000097107172	397605495	/nfs/dbraw/zinc/60/54/95/397605495.db2.gz	CDLZLPZWEIVALK-LURJTMIESA-N	-1	0	262.356	1.884	50	30		CDEARM
C[C@@H](NC(=O)c1ccc(C#CC(C)(C)O)s1)C(=O)[O-]	ZINC000004698073	170000796	/nfs/dbraw/zinc/00/07/96/170000796.db2.gz	OUZUJMBEZVWQFE-MRVPVSSYSA-N	-1	0	281.333	1.073	50	30		CDEARM
COC(=O)C1=C(C)NC(=Cc2ccc(C(=O)[O-])cc2)C1=O	ZINC000019735286	170849134	/nfs/dbraw/zinc/84/91/34/170849134.db2.gz	MYBVEVQRRAVRHG-YRNVUSSQSA-N	-1	0	287.271	1.345	50	30		CDEARM
N#Cc1cc(C=O)c(Br)c(C(=O)[O-])c1	ZINC000263623010	303180205	/nfs/dbraw/zinc/18/02/05/303180205.db2.gz	CVELPBVPKHLOLR-UHFFFAOYSA-N	-1	0	254.039	1.831	50	30		CDEARM
CC(C)CC(=O)[N-]S(=O)(=O)c1ccc(N)cc1	ZINC000001013784	728350965	/nfs/dbraw/zinc/35/09/65/728350965.db2.gz	COBQUWSEPYEORP-UHFFFAOYSA-N	-1	0	256.327	1.960	50	30		CDEARM
N#Cc1ccc([O-])c(NC(=O)COCC(F)(F)F)c1	ZINC000096450058	230375746	/nfs/dbraw/zinc/37/57/46/230375746.db2.gz	IEXZZROGFXXARK-UHFFFAOYSA-N	-1	0	274.198	1.781	50	30		CDEARM
Cc1ccc(-c2noc(-c3cc(C#N)c(=O)[n-]c3C)n2)nn1	ZINC000095511557	185001456	/nfs/dbraw/zinc/00/14/56/185001456.db2.gz	OQSHNFYVPXKNAS-UHFFFAOYSA-N	-1	0	294.274	1.370	50	30		CDEARM
C=CC[C@]1(C(=O)[O-])CCCN(S(=O)(=O)C2CC2)C1	ZINC000091987258	180298187	/nfs/dbraw/zinc/29/81/87/180298187.db2.gz	GZKPWUJDEROLBL-LBPRGKRZSA-N	-1	0	273.354	1.222	50	30		CDEARM
CCNc1nc(OC)nc(Oc2ccc(/C=N/[O-])cc2)n1	ZINC000000090492	355885218	/nfs/dbraw/zinc/88/52/18/355885218.db2.gz	DJNQKGJGWWHXAW-OVCLIPMQSA-N	-1	0	289.295	1.912	50	30		CDEARM
Cc1n[n-]c(N/N=C/c2ccc(C(F)(F)F)cc2)nc1=O	ZINC000012341109	356293955	/nfs/dbraw/zinc/29/39/55/356293955.db2.gz	WQSXZEJCXAUSOR-OMCISZLKSA-N	-1	0	297.240	1.938	50	30		CDEARM
CC(/C=N/Nc1nc(=O)c(C)n[n-]1)=C\c1ccccc1	ZINC000018084530	356467789	/nfs/dbraw/zinc/46/77/89/356467789.db2.gz	KELFINLXRFAQTH-BPNXTJCCSA-N	-1	0	269.308	1.975	50	30		CDEARM
N#Cc1ccccc1CS(=O)(=O)c1nc2ccc[nH]c-2n1	ZINC000002504140	361266310	/nfs/dbraw/zinc/26/63/10/361266310.db2.gz	NWUYVKVEPDFBIU-UHFFFAOYSA-N	-1	0	298.327	1.803	50	30		CDEARM
N#Cc1nc(NC(=O)CCc2ccccc2)[n-]c1C#N	ZINC000026273689	369850139	/nfs/dbraw/zinc/85/01/39/369850139.db2.gz	MBQITYOBYFUXAS-UHFFFAOYSA-N	-1	0	265.276	1.724	50	30		CDEARM
Cc1n[n-]c(=S)n(N=C[C@H]2CC=CCC2)c1=O	ZINC000008228437	170326127	/nfs/dbraw/zinc/32/61/27/170326127.db2.gz	VMYMJSRMGVFTIC-SZUMLMDFSA-N	-1	0	250.327	1.800	50	30		CDEARM
C[C@H](CS(=O)(=O)Nc1cccc(C#N)c1)C(=O)[O-]	ZINC000019984038	170960341	/nfs/dbraw/zinc/96/03/41/170960341.db2.gz	FTYPKCPWRASREP-MRVPVSSYSA-N	-1	0	268.294	1.021	50	30		CDEARM
C=CCNc1ccccc1C(=O)N[C@@H](C)c1n[nH]c(=O)[n-]1	ZINC000055282596	264351113	/nfs/dbraw/zinc/35/11/13/264351113.db2.gz	UXTQYXBVIRJRJZ-VIFPVBQESA-N	-1	0	287.323	1.187	50	30		CDEARM
CC[C@H](CC#N)[C@H](NC(=O)OC(C)(C)C)C(=O)[O-]	ZINC000700372793	729896692	/nfs/dbraw/zinc/89/66/92/729896692.db2.gz	DLCWXMALQLDAPO-BDAKNGLRSA-N	-1	0	256.302	1.904	50	30		CDEARM
CNC(=O)C(C#N)=C([O-])c1cnc(-c2cccs2)s1	ZINC000100752485	398138148	/nfs/dbraw/zinc/13/81/48/398138148.db2.gz	UVMCNZLAAAYVSM-SSDOTTSWSA-N	-1	0	291.357	1.940	50	30		CDEARM
COC[C@H](C)NC(=O)C(C#N)=C([O-])c1cccc(F)c1	ZINC000103502984	185846788	/nfs/dbraw/zinc/84/67/88/185846788.db2.gz	CMQAARGQRNRUFH-CABZTGNLSA-N	-1	0	278.283	1.299	50	30		CDEARM
C=CC[C@]1(C(=O)[O-])CCCN(C(=O)C2(COC)CC2)C1	ZINC000091526518	180178586	/nfs/dbraw/zinc/17/85/86/180178586.db2.gz	NOSQBPNGUUZBPX-AWEZNQCLSA-N	-1	0	281.352	1.683	50	30		CDEARM
CC(=NNc1[nH]c(=O)nnc1C)c1ccc(C)cc1	ZINC000004370198	356323907	/nfs/dbraw/zinc/32/39/07/356323907.db2.gz	WCHAXWQEPMUFHU-OQLLNIDSSA-N	-1	0	257.297	1.618	50	30		CDEARM
O=C([O-])/C(Cc1ccc(O)c(Br)c1)=N/O	ZINC000100544910	358831511	/nfs/dbraw/zinc/83/15/11/358831511.db2.gz	OTQJUBTXGZWKKA-YRNVUSSQSA-N	-1	0	274.070	1.612	50	30		CDEARM
C=CCN1C(=O)[N-]C(=O)/C(=C/c2ccc(N(C)C)cc2)C1=O	ZINC000000118970	359112472	/nfs/dbraw/zinc/11/24/72/359112472.db2.gz	BSFWBKSLFLJKSR-RAXLEYEMSA-N	-1	0	299.330	1.400	50	30		CDEARM
C=CCOC(=O)Cc1c([O-])c2ccccc2n(C)c1=O	ZINC000170624634	364445006	/nfs/dbraw/zinc/44/50/06/364445006.db2.gz	SBBSDUNAXAELEJ-UHFFFAOYSA-N	-1	0	273.288	1.516	50	30		CDEARM
CCOC(=O)C(C#N)=N[N-]c1n[nH]c(C)c1C(=O)OCC	ZINC000252594817	368352132	/nfs/dbraw/zinc/35/21/32/368352132.db2.gz	BVBALXKFDKHPMZ-QMMMGPOBSA-N	-1	0	293.283	1.434	50	30		CDEARM
N#Cc1ccc(OCC(=O)N2CCC[C@H](C(=O)[O-])C2)cc1	ZINC000013170623	374659379	/nfs/dbraw/zinc/65/93/79/374659379.db2.gz	JISZCNAWSKSOOR-LBPRGKRZSA-N	-1	0	288.303	1.260	50	30		CDEARM
CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1c[nH]cn1	ZINC000095412889	374915981	/nfs/dbraw/zinc/91/59/81/374915981.db2.gz	CWAWAZQVEHBIEY-UHFFFAOYSA-N	-1	0	291.336	1.514	50	30		CDEARM
C=CCN(CC(=O)[O-])S(=O)(=O)c1ccc(C)c(C)c1	ZINC000003339096	375653465	/nfs/dbraw/zinc/65/34/65/375653465.db2.gz	STMKWVFRURDPEL-UHFFFAOYSA-N	-1	0	283.349	1.565	50	30		CDEARM
C=CCOc1cccc(NC(=O)[C@H]2C[C@@H]2C(=O)[O-])c1	ZINC000192925182	378230557	/nfs/dbraw/zinc/23/05/57/378230557.db2.gz	ZJKSZTGAEPFOFY-RYUDHWBXSA-N	-1	0	261.277	1.911	50	30		CDEARM
C=CCNC(=O)[C@@H](C)Sc1n[nH]c(-c2ccccn2)n1	ZINC000096409187	393182094	/nfs/dbraw/zinc/18/20/94/393182094.db2.gz	MDCAXLCRYRWTJI-SECBINFHSA-N	-1	0	289.364	1.650	50	30		CDEARM
COC[C@H](C)NC(=O)C(C#N)=C([O-])c1cc(C)cc(C)c1	ZINC000103502960	397906621	/nfs/dbraw/zinc/90/66/21/397906621.db2.gz	YOKIBJVTUZPYJK-GXTWGEPZSA-N	-1	0	288.347	1.777	50	30		CDEARM
CC(C)NC(=O)C(C#N)=C([O-])c1ccnc(Cl)c1	ZINC000103608329	397910546	/nfs/dbraw/zinc/91/05/46/397910546.db2.gz	HRUMEXZIOCNUGM-VIFPVBQESA-N	-1	0	265.700	1.582	50	30		CDEARM
Cc1nc(C([O-])=C(C#N)C(=O)NC2CCCC2)cs1	ZINC000103935285	397925085	/nfs/dbraw/zinc/92/50/85/397925085.db2.gz	DCFLLKXBQMQMOO-SNVBAGLBSA-N	-1	0	277.349	1.833	50	30		CDEARM
N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)[O-])CC2)cc1	ZINC000004218549	169945207	/nfs/dbraw/zinc/94/52/07/169945207.db2.gz	ZQEBOWPRCWAPOI-UHFFFAOYSA-N	-1	0	294.332	1.044	50	30		CDEARM
C/C(=N\CCO)c1c([O-])c2cc([N+](=O)[O-])ccc2oc1=O	ZINC000006015991	170168525	/nfs/dbraw/zinc/16/85/25/170168525.db2.gz	CQSKYTBJQNROMU-VGOFMYFVSA-N	-1	0	292.247	1.208	50	30		CDEARM
CC(=O)C1=C(O)C(=O)N(CCC(=O)[O-])[C@H]1c1ccccc1	ZINC000000074308	355884341	/nfs/dbraw/zinc/88/43/41/355884341.db2.gz	XFMRNIFNQMSMDQ-ZDUSSCGKSA-N	-1	0	289.287	1.446	50	30		CDEARM
CCOC([O-])=NS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000000374270	363484268	/nfs/dbraw/zinc/48/42/68/363484268.db2.gz	UEAIZIBHNZNSGC-UHFFFAOYSA-N	-1	0	274.254	1.234	50	30		CDEARM
COc1ccccc1C=CC([O-])=C1C(=O)C=C(C)OC1=O	ZINC000023624429	359277489	/nfs/dbraw/zinc/27/74/89/359277489.db2.gz	JASPIELCFDXCEV-KIUWMYQTSA-N	-1	0	286.283	1.923	50	30		CDEARM
N#CC(=N[O-])C(=O)c1cncc(Br)c1	ZINC000252611551	368668283	/nfs/dbraw/zinc/66/82/83/368668283.db2.gz	IKSREGDEAMZMSQ-UHFFFAOYSA-N	-1	0	254.043	1.381	50	30		CDEARM
COc1ccc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)cc1	ZINC000028605404	295052579	/nfs/dbraw/zinc/05/25/79/295052579.db2.gz	GNFWIWOKPJMDBY-PXTSUWAFSA-N	-1	0	286.283	1.923	50	30		CDEARM
CC(=O)[N-]S(=O)(=O)c1cnn(Cc2ccccc2)c1	ZINC000096452601	527543110	/nfs/dbraw/zinc/54/31/10/527543110.db2.gz	JMDYOOBDEIFKKH-UHFFFAOYSA-N	-1	0	279.321	1.597	50	30		CDEARM
CC(C)c1ccc(C#N)c(NCc2n[nH]c(=O)[n-]2)n1	ZINC000952860911	910411710	/nfs/dbraw/zinc/41/17/10/910411710.db2.gz	APAAGRRZCVZUQD-UHFFFAOYSA-N	-1	0	258.285	1.512	50	30		CDEARM
C#CCCC1(CCC(=O)N2CC3CC2(C(=O)[O-])C3)N=N1	ZINC000952880906	910445108	/nfs/dbraw/zinc/44/51/08/910445108.db2.gz	KIUYMTKHCCGAMD-UHFFFAOYSA-N	-1	0	275.308	1.418	50	30		CDEARM
O=C(C=CNCCc1ccccc1)C1=C([O-])CCC1=O	ZINC000100704232	230392202	/nfs/dbraw/zinc/39/22/02/230392202.db2.gz	LKIBEPATLKCZCT-LUAWRHEFSA-N	-1	0	271.316	1.450	50	30		CDEARM
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)c1cccc(C#N)c1	ZINC000097022283	185153596	/nfs/dbraw/zinc/15/35/96/185153596.db2.gz	LLDJHMCXSMXBKR-GFCCVEGCSA-N	-1	0	296.348	1.336	50	30		CDEARM
CCOC(=O)C(C#N)=N[N-]c1n[nH]c(C)c1C(=O)OCC	ZINC000103550016	185849961	/nfs/dbraw/zinc/84/99/61/185849961.db2.gz	BVBALXKFDKHPMZ-ZLDWFIFVSA-N	-1	0	293.283	1.434	50	30		CDEARM
C=CC[C@]1(C(=O)[O-])CCCN(C(=O)N2CCCC2)C1	ZINC000091745582	180243941	/nfs/dbraw/zinc/24/39/41/180243941.db2.gz	AFJKHEAXXVARDY-AWEZNQCLSA-N	-1	0	266.341	1.945	50	30		CDEARM
O=C([O-])C[C@H]1SC(=NN=Cc2cccs2)NC1=O	ZINC000252601426	368370314	/nfs/dbraw/zinc/37/03/14/368370314.db2.gz	FALAOKLSBBVLDI-SSDOTTSWSA-N	-1	0	283.334	1.144	50	30		CDEARM
C#CCOc1ccc(C([O-])=C(C#N)C(=O)NCC=C)cc1	ZINC000102708222	373640721	/nfs/dbraw/zinc/64/07/21/373640721.db2.gz	SJTVTVCFMUALGE-AWEZNQCLSA-N	-1	0	282.299	1.323	50	30		CDEARM
CCN(C)c1ccc(C(=O)[N-]S(C)(=O)=O)cc1	ZINC000097038907	375139847	/nfs/dbraw/zinc/13/98/47/375139847.db2.gz	QFQLQNMZNPYHIX-UHFFFAOYSA-N	-1	0	256.327	1.407	50	30		CDEARM
Cc1ccc(S(=O)(=O)c2cc(C#N)c(=O)[n-]c2N)cc1	ZINC000004002833	375837775	/nfs/dbraw/zinc/83/77/75/375837775.db2.gz	PZJLBCXLHBHVIV-UHFFFAOYSA-N	-1	0	289.316	1.382	50	30		CDEARM
CCn1cc(S(=O)(=O)[N-]C(=O)c2ccsc2)nc1C	ZINC000095455857	184991255	/nfs/dbraw/zinc/99/12/55/184991255.db2.gz	BZYVTMXRZBNNAU-UHFFFAOYSA-N	-1	0	299.377	1.966	50	30		CDEARM
Cc1sc(N=Nc2c([O-])[nH]c(=O)[nH]c2=O)c(C#N)c1C	ZINC000006008413	170167575	/nfs/dbraw/zinc/16/75/75/170167575.db2.gz	WIYOBCDDPXQNMB-UHFFFAOYSA-N	-1	0	291.292	1.211	50	30		CDEARM
COC(=O)c1cc([O-])c(C#N)c(Br)c1	ZINC000263624353	277152702	/nfs/dbraw/zinc/15/27/02/277152702.db2.gz	PPQAYTOZZVGPGB-UHFFFAOYSA-N	-1	0	256.055	1.813	50	30		CDEARM
Cc1nc(C(=O)N2CCCC[C@H]2C(=O)[O-])ccc1C#N	ZINC000036974767	302550666	/nfs/dbraw/zinc/55/06/66/302550666.db2.gz	IVJKXRWRKMDSCG-LBPRGKRZSA-N	-1	0	273.292	1.341	50	30		CDEARM
N#Cc1cc(Br)cc(C=O)c1C(=O)[O-]	ZINC000263624833	303179311	/nfs/dbraw/zinc/17/93/11/303179311.db2.gz	UOLOJVICXTZJGF-UHFFFAOYSA-N	-1	0	254.039	1.831	50	30		CDEARM
N#Cc1nnc2c(N=Nc3ccccc3)c(=O)[n-]n2c1N	ZINC000006343964	303219045	/nfs/dbraw/zinc/21/90/45/303219045.db2.gz	ZWMNJOYYEXXRPB-BMRADRMJSA-N	-1	0	280.251	1.699	50	30		CDEARM
C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@]21C(=O)[O-]	ZINC000004218239	517331292	/nfs/dbraw/zinc/33/12/92/517331292.db2.gz	SRTPTDVXYBPLOX-OAHLLOKOSA-N	-1	0	286.287	1.236	50	30		CDEARM
C=CCN(CC=C)C(=O)CSc1nnc(C)c(=O)[n-]1	ZINC000011667079	527618328	/nfs/dbraw/zinc/61/83/28/527618328.db2.gz	OOACXSIYRAOTOP-UHFFFAOYSA-N	-1	0	280.353	1.178	50	30		CDEARM
CC(C)OC(=O)N=S(=O)([O-])c1cccc([N+](=O)[O-])c1	ZINC000003899385	527769634	/nfs/dbraw/zinc/76/96/34/527769634.db2.gz	LIPXGISZHNXROP-UHFFFAOYSA-N	-1	0	288.281	1.623	50	30		CDEARM
CCOC(=O)C(C#N)=C([O-])c1ccc(NC(C)=O)cc1	ZINC000000289166	739080289	/nfs/dbraw/zinc/08/02/89/739080289.db2.gz	FUANJCIFQYJKLO-GFCCVEGCSA-N	-1	0	274.276	1.531	50	30		CDEARM
C=CC[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2c[nH]nc2C(=O)[O-])C1	ZINC000091725998	180241827	/nfs/dbraw/zinc/24/18/27/180241827.db2.gz	TUYJRMOGLIIESR-CQSZACIVSA-N	-1	0	293.323	1.351	50	30		CDEARM
Cc1ccc(C=Nn2c(=O)c(C)n[n-]c2=S)o1	ZINC000100283089	356107252	/nfs/dbraw/zinc/10/72/52/356107252.db2.gz	QJIXIMQCJFVRSN-VZUCSPMQSA-N	-1	0	250.283	1.393	50	30		CDEARM
O=C([O-])/C(Cc1ccc(O)c(Br)c1)=N\O	ZINC000081213644	358118651	/nfs/dbraw/zinc/11/86/51/358118651.db2.gz	OTQJUBTXGZWKKA-XFFZJAGNSA-N	-1	0	274.070	1.612	50	30		CDEARM
C=CCn1cc(C(=O)c2cc(F)ccc2[O-])cc(C#N)c1=O	ZINC000003251775	359371551	/nfs/dbraw/zinc/37/15/51/359371551.db2.gz	LZVGZKBKWHGNTP-UHFFFAOYSA-N	-1	0	298.273	1.982	50	30		CDEARM
Cn1ncc(C#N)c1[N-]S(=O)(=O)c1ccc(F)c(F)c1	ZINC000093341628	366706872	/nfs/dbraw/zinc/70/68/72/366706872.db2.gz	YSSLGXHEDKYNHH-UHFFFAOYSA-N	-1	0	298.274	1.371	50	30		CDEARM
C#CCSc1nnc(Cc2ccccc2)c(=O)[n-]1	ZINC000013629200	361340079	/nfs/dbraw/zinc/34/00/79/361340079.db2.gz	WCYIDXHGVXWFND-UHFFFAOYSA-N	-1	0	257.318	1.893	50	30		CDEARM
N#Cc1cn(-c2ccc(OC(F)(F)F)cc2)c(=O)[n-]c1=O	ZINC000000169588	365052449	/nfs/dbraw/zinc/05/24/49/365052449.db2.gz	DHZLCBZTYITBGE-UHFFFAOYSA-N	-1	0	297.192	1.296	50	30		CDEARM
N#Cc1nc(NC(=O)c2cc(C3CC3)[nH]n2)[n-]c1C#N	ZINC000026266440	369760761	/nfs/dbraw/zinc/76/07/61/369760761.db2.gz	DYETXSLCZASHPC-UHFFFAOYSA-N	-1	0	267.252	1.006	50	30		CDEARM
N#Cc1nc(NC(=O)c2ccc3[nH]cnc3c2)[n-]c1C#N	ZINC000026273167	369848935	/nfs/dbraw/zinc/84/89/35/369848935.db2.gz	GPTMSUMFCJONNL-UHFFFAOYSA-N	-1	0	277.247	1.282	50	30		CDEARM
COC(=O)[C@]1(Cl)C([O-])=C(C(C)=O)C(=O)CC1(C)C	ZINC000004625882	390497136	/nfs/dbraw/zinc/49/71/36/390497136.db2.gz	PVZGPWNIGJGZFU-GFCCVEGCSA-N	-1	0	274.700	1.537	50	30		CDEARM
CCc1oc(C([O-])=C(C#N)C(=O)Nc2ncccn2)cc1C	ZINC000101974702	397827073	/nfs/dbraw/zinc/82/70/73/397827073.db2.gz	UGIVJFVNXOBMGX-SNVBAGLBSA-N	-1	0	298.302	1.902	50	30		CDEARM
COCCCNC(=O)C(C#N)=C([O-])c1ccc(C)s1	ZINC000103259680	397894908	/nfs/dbraw/zinc/89/49/08/397894908.db2.gz	SNAYZQQUTPDYBU-SNVBAGLBSA-N	-1	0	280.349	1.532	50	30		CDEARM
COC[C@@H](C)NC(=O)C(C#N)=C([O-])c1cccc(F)c1	ZINC000103502986	397907042	/nfs/dbraw/zinc/90/70/42/397907042.db2.gz	CMQAARGQRNRUFH-SKDRFNHKSA-N	-1	0	278.283	1.299	50	30		CDEARM
CCOC(=O)C(=CN[C@@H](C(=O)[O-])c1ccccc1)C(C)=O	ZINC000020219265	171082103	/nfs/dbraw/zinc/08/21/03/171082103.db2.gz	UPCXUKHAHUDJKJ-CNELAYHGSA-N	-1	0	291.303	1.438	50	30		CDEARM
N#Cc1cc(S(=O)(=O)[N-]c2nccs2)ccc1F	ZINC000071248374	176094741	/nfs/dbraw/zinc/09/47/41/176094741.db2.gz	XFHMZVOZPKVGSP-UHFFFAOYSA-N	-1	0	283.309	1.955	50	30		CDEARM
Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nn1cnnc1	ZINC000018118358	276187128	/nfs/dbraw/zinc/18/71/28/276187128.db2.gz	GGEJALBVLOLXKC-QFULYMJESA-N	-1	0	268.280	1.151	50	30		CDEARM
C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]21C(=O)[O-]	ZINC000004218238	277856697	/nfs/dbraw/zinc/85/66/97/277856697.db2.gz	SRTPTDVXYBPLOX-HNNXBMFYSA-N	-1	0	286.287	1.236	50	30		CDEARM
Cc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2)no1	ZINC000000142031	301363874	/nfs/dbraw/zinc/36/38/74/301363874.db2.gz	ZUSUPWRCKCXIHC-UHFFFAOYSA-N	-1	0	263.278	1.656	50	30		CDEARM
Cc1[n-]c(=O)c(C#N)c(C)c1I	ZINC000952990004	740645078	/nfs/dbraw/zinc/64/50/78/740645078.db2.gz	RPEFNTFTQRKDFE-UHFFFAOYSA-N	-1	0	274.061	1.880	50	30		CDEARM
C#CCCC1(CCC(=O)Nc2ccn(CC(=O)[O-])n2)N=N1	ZINC000952876246	910432047	/nfs/dbraw/zinc/43/20/47/910432047.db2.gz	INSPGXLFCFWCBN-UHFFFAOYSA-N	-1	0	289.295	1.262	50	30		CDEARM
C=CCn1c(=N)[n-]nc1SCc1cc(OC)c(C)cn1	ZINC000585093548	930928078	/nfs/dbraw/zinc/92/80/78/930928078.db2.gz	VASOGWWPSOPWCQ-UHFFFAOYSA-N	-1	0	291.380	1.881	50	30		CDEARM
O=C([N-]S(=O)(=O)N1CCCCC1)c1cccn1C1CC1	ZINC000096499657	230384411	/nfs/dbraw/zinc/38/44/11/230384411.db2.gz	FGCPLNPFMHKRMO-UHFFFAOYSA-N	-1	0	297.380	1.858	50	30		CDEARM
CCn1ccc(/C=C/C(=O)c2c([O-])cc(C)oc2=O)n1	ZINC000096118978	185101833	/nfs/dbraw/zinc/10/18/33/185101833.db2.gz	UWOSJWMZOMAIMA-SNAWJCMRSA-N	-1	0	274.276	1.766	50	30		CDEARM
N#Cc1ccc(OCC(=O)N2CCCC[C@@H]2C(=O)[O-])cc1	ZINC000036966363	363303309	/nfs/dbraw/zinc/30/33/09/363303309.db2.gz	JWJXYNNUKCEGOS-CYBMUJFWSA-N	-1	0	288.303	1.403	50	30		CDEARM
CN(CC(=O)[O-])C(=O)CC1=C(c2ccccc2)CCC1=O	ZINC000426360121	360658636	/nfs/dbraw/zinc/65/86/36/360658636.db2.gz	SPHTVNSOZSEFAE-UHFFFAOYSA-N	-1	0	287.315	1.736	50	30		CDEARM
CC(C)OC(=O)N=S(=O)([O-])c1ccc([N+](=O)[O-])cc1	ZINC000000243327	169585159	/nfs/dbraw/zinc/58/51/59/169585159.db2.gz	MZFFJOOBGFNECJ-UHFFFAOYSA-N	-1	0	288.281	1.623	50	30		CDEARM
C[C@@H](CS)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-]	ZINC000028260223	390254592	/nfs/dbraw/zinc/25/45/92/390254592.db2.gz	GDGPVPYTXHNOSO-JOYOIKCWSA-N	-1	0	279.361	1.590	50	30		CDEARM
Cc1ccc(S(=O)(=O)[N-]C(=S)NC(C)C)cc1	ZINC000071772752	390619015	/nfs/dbraw/zinc/61/90/15/390619015.db2.gz	QAIZEZLCIGLJAJ-UHFFFAOYSA-N	-1	0	272.395	1.968	50	30		CDEARM
COc1ccc(C([O-])=C(C#N)C(=O)N2CCCC2)cc1	ZINC000103502571	397906218	/nfs/dbraw/zinc/90/62/18/397906218.db2.gz	RGLZJNWNKBKVSS-ZDUSSCGKSA-N	-1	0	272.304	1.640	50	30		CDEARM
N#Cc1c[nH]nc1NC(=O)Cc1ccccc1C(=O)[O-]	ZINC000071285307	176109914	/nfs/dbraw/zinc/10/99/14/176109914.db2.gz	XAMDTDKBRWJHDU-UHFFFAOYSA-N	-1	0	270.248	1.161	50	30		CDEARM
C=C[C@@H](C(=O)[O-])N1CCN(C(=O)OC(C)(C)C)CC1	ZINC000012954763	277896361	/nfs/dbraw/zinc/89/63/61/277896361.db2.gz	ZXJMXILXWUNTEW-JTQLQIEISA-N	-1	0	270.329	1.178	50	30		CDEARM
CC(C)(C)OC(=O)N1CC[C@](C#N)(CC(=O)[O-])C1	ZINC000260523230	328130968	/nfs/dbraw/zinc/13/09/68/328130968.db2.gz	SEWRHQAYZOBQOH-GFCCVEGCSA-N	-1	0	254.286	1.612	50	30		CDEARM
CCc1cccc(S(=O)(=O)[N-]c2c(C#N)cnn2C)c1	ZINC000195573230	323572620	/nfs/dbraw/zinc/57/26/20/323572620.db2.gz	CZIOOOMHRYWTQF-UHFFFAOYSA-N	-1	0	290.348	1.655	50	30		CDEARM
C#CCCC1(CCC(=O)N2CC([C@H](F)C(=O)[O-])C2)N=N1	ZINC000952876371	910432708	/nfs/dbraw/zinc/43/27/08/910432708.db2.gz	OGWFSWQEXBXYGD-NSHDSACASA-N	-1	0	281.287	1.223	50	30		CDEARM
CCCC(=O)C1=C(N[C@@H](C)C(=O)[O-])CCCC1=O	ZINC000100731390	398137420	/nfs/dbraw/zinc/13/74/20/398137420.db2.gz	RZWAREWVIBHMHE-QMMMGPOBSA-N	-1	0	253.298	1.425	50	30		CDEARM
Cc1cc(NC[C@@H](C(=O)[O-])C2CCOCC2)c(C#N)cn1	ZINC000685943841	539046104	/nfs/dbraw/zinc/04/61/04/539046104.db2.gz	BQWOIYBFTZQDIN-CYBMUJFWSA-N	-1	0	289.335	1.223	50	30		CDEARM
C=CCOC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)[O-]	ZINC000002564708	362009290	/nfs/dbraw/zinc/00/92/90/362009290.db2.gz	VNZYUMCXQWYCAW-VIFPVBQESA-N	-1	0	287.312	1.474	50	30		CDEARM
C#CCn1c2nc(C)ccc2c([O-])c(C(=O)OCC)c1=O	ZINC000100066829	185704304	/nfs/dbraw/zinc/70/43/04/185704304.db2.gz	GKIRTYSXPDPKQW-UHFFFAOYSA-N	-1	0	286.287	1.220	50	30		CDEARM
CO/N=C(/C(=O)[O-])c1cn2cc(Br)ccc2n1	ZINC000000187250	355894256	/nfs/dbraw/zinc/89/42/56/355894256.db2.gz	MKDLQODMFQTBKA-UKTHLTGXSA-N	-1	0	298.096	1.532	50	30		CDEARM
COc1ccc(OCc2ncc(C#N)c(=O)[n-]2)cc1	ZINC000033268215	356796856	/nfs/dbraw/zinc/79/68/56/356796856.db2.gz	UWYRAXHKVWYFPP-UHFFFAOYSA-N	-1	0	257.249	1.641	50	30		CDEARM
CCOC(=O)C(N=Nc1ccccc1OC)C(C)=O	ZINC000016310389	358561928	/nfs/dbraw/zinc/56/19/28/358561928.db2.gz	QFPQZHRQSGCZSG-NTCAYCPXSA-N	-1	0	264.281	1.615	50	30		CDEARM
C=CCO[N-]C(=O)Cn1c(=O)sc2ccccc21	ZINC000002874960	359201074	/nfs/dbraw/zinc/20/10/74/359201074.db2.gz	USTAGGOOKQSFQA-UHFFFAOYSA-N	-1	0	264.306	1.297	50	30		CDEARM
CC(=NNC1=NC(=O)C[C@@H](C(=O)[O-])S1)c1ccccc1	ZINC000252679468	372282436	/nfs/dbraw/zinc/28/24/36/372282436.db2.gz	MWRAGBLQCRBEBH-JTQLQIEISA-N	-1	0	291.332	1.473	50	30		CDEARM
C#CCOc1ccc(C([O-])=C(C#N)C(=O)NCC=C)cc1	ZINC000102708224	373640906	/nfs/dbraw/zinc/64/09/06/373640906.db2.gz	SJTVTVCFMUALGE-CQSZACIVSA-N	-1	0	282.299	1.323	50	30		CDEARM
N#Cc1cc(C(=O)c2ccccc2[O-])cn(C2CC2)c1=O	ZINC000004218956	375927106	/nfs/dbraw/zinc/92/71/06/375927106.db2.gz	RSIJAXCRUFLOAT-UHFFFAOYSA-N	-1	0	280.283	1.991	50	30		CDEARM
CCNC(=S)N=S(=O)([O-])c1ccc(C)cc1	ZINC000008683447	285149614	/nfs/dbraw/zinc/14/96/14/285149614.db2.gz	QKXAKHONQHLDJH-UHFFFAOYSA-N	-1	0	258.368	1.579	50	30		CDEARM
COCCCNC(=O)C(C#N)=C([O-])c1cc(C)cc(C)c1	ZINC000103502808	397906390	/nfs/dbraw/zinc/90/63/90/397906390.db2.gz	LLPPJFDUZKJMAG-AWEZNQCLSA-N	-1	0	288.347	1.779	50	30		CDEARM
COC[C@@H](C)NC(=O)C(C#N)=C([O-])c1ccc(OC)cc1	ZINC000103502924	397906651	/nfs/dbraw/zinc/90/66/51/397906651.db2.gz	RTUWBGKUSOGXPS-ZWNOBZJWSA-N	-1	0	290.319	1.169	50	30		CDEARM
CNC(=O)C(C#N)=C([O-])c1cc(SC)ccc1C	ZINC000103508173	397906947	/nfs/dbraw/zinc/90/69/47/397906947.db2.gz	HYGUGMNARKTVTH-NSHDSACASA-N	-1	0	262.334	1.785	50	30		CDEARM
CC(C)CNc1[n-]c(=O)n(C(C)C)c(=O)c1C#N	ZINC000000367584	398135102	/nfs/dbraw/zinc/13/51/02/398135102.db2.gz	FAFOQUFHKAYZPR-UHFFFAOYSA-N	-1	0	250.302	1.057	50	30		CDEARM
O=c1cn[n-]c(N/N=C/c2ccc(Br)cc2)n1	ZINC000003945134	169925940	/nfs/dbraw/zinc/92/59/40/169925940.db2.gz	ZYUAWTCNPFKURH-LFYBBSHMSA-N	-1	0	294.112	1.373	50	30		CDEARM
CNc1c2ccccc2oc(=O)c1/N=C(\[O-])CC(=O)OC	ZINC000021147863	171298431	/nfs/dbraw/zinc/29/84/31/171298431.db2.gz	QMAZEABILPXNTK-UHFFFAOYSA-N	-1	0	290.275	1.986	50	30		CDEARM
CCOC(=O)C(C#N)N=Nc1cc([N+](=O)[O-])ccc1[O-]	ZINC000035415556	172190452	/nfs/dbraw/zinc/19/04/52/172190452.db2.gz	WLOGWMFOKOFIKR-NTEUORMPSA-N	-1	0	278.224	1.155	50	30		CDEARM
C=CCN(C)S(=O)(=O)c1ccc(C(=O)[O-])cc1	ZINC000041325269	174522031	/nfs/dbraw/zinc/52/20/31/174522031.db2.gz	NTIZOERQCSXKJX-UHFFFAOYSA-N	-1	0	255.295	1.191	50	30		CDEARM
COCc1ccccc1C(=O)[N-]S(=O)(=O)CCCC#N	ZINC000095987706	185056996	/nfs/dbraw/zinc/05/69/96/185056996.db2.gz	NBASPFXBLLIWIU-UHFFFAOYSA-N	-1	0	296.348	1.196	50	30		CDEARM
N#CCCN(C[C@@H]1CCOC1)C(=O)c1c([O-])cccc1F	ZINC000252496868	342382580	/nfs/dbraw/zinc/38/25/80/342382580.db2.gz	PTFJLBPBGFZOHR-NSHDSACASA-N	-1	0	292.310	1.924	50	30		CDEARM
N#CCCN(C[C@H]1CCOC1)C(=O)c1c([O-])cccc1F	ZINC000252496867	342382589	/nfs/dbraw/zinc/38/25/89/342382589.db2.gz	PTFJLBPBGFZOHR-LLVKDONJSA-N	-1	0	292.310	1.924	50	30		CDEARM
COc1ccc(/N=C2\S[C@H](CC(=O)[O-])C(=O)N2C)cc1	ZINC000013898504	357432818	/nfs/dbraw/zinc/43/28/18/357432818.db2.gz	OCUQUUNJEWLFFE-YAWLZAOSSA-N	-1	0	294.332	1.731	50	30		CDEARM
Cc1noc(C)c1S(=O)(=O)[N-]c1ncccc1C#N	ZINC000097104539	358751291	/nfs/dbraw/zinc/75/12/91/358751291.db2.gz	OBDIDBSQXVETHQ-UHFFFAOYSA-N	-1	0	278.293	1.359	50	30		CDEARM
C=CCOC(=O)[C@H](CC(=O)[O-])NC(=O)OC(C)(C)C	ZINC000034255766	359759389	/nfs/dbraw/zinc/75/93/89/359759389.db2.gz	IAEZDRCCBIEBCS-QMMMGPOBSA-N	-1	0	273.285	1.084	50	30		CDEARM
C=CCN1C(=O)[N-]C(=O)/C(=C/c2ccc(O)cc2)C1=O	ZINC000013509569	361324866	/nfs/dbraw/zinc/32/48/66/361324866.db2.gz	NWQPTJGVSICZQY-FLIBITNWSA-N	-1	0	272.260	1.040	50	30		CDEARM
CCc1nnc([N-]S(=O)(=O)c2cccc(CC#N)c2)[nH]1	ZINC000253429198	373736257	/nfs/dbraw/zinc/73/62/57/373736257.db2.gz	QTVLCNOEQNABBL-UHFFFAOYSA-N	-1	0	291.336	1.234	50	30		CDEARM
N#Cc1c[nH]c(C(=O)/N=c2\[n-]ncn2-c2ccccc2)c1	ZINC000095988449	375048648	/nfs/dbraw/zinc/04/86/48/375048648.db2.gz	KBNOIEVHJNBUKC-UHFFFAOYSA-N	-1	0	278.275	1.141	50	30		CDEARM
O=S(=O)(NN=Cc1cccc(O)c1O)c1ccccc1	ZINC000254743022	375409137	/nfs/dbraw/zinc/40/91/37/375409137.db2.gz	HMQFBYRDYMIGSG-UHFFFAOYSA-N	-1	0	292.316	1.410	50	30		CDEARM
COc1ccc2ccccc2c1CN=Nc1nnn[n-]1	ZINC000004150945	375896276	/nfs/dbraw/zinc/89/62/76/375896276.db2.gz	ZPMSZLCEHUPBKV-RIYZIHGNSA-N	-1	0	268.280	1.808	50	30		CDEARM
CCCCCCCCC(=O)c1c([O-])n(C)c(=O)n(C)c1=O	ZINC000060179037	390503828	/nfs/dbraw/zinc/50/38/28/390503828.db2.gz	APSSPQDJRLXSSY-UHFFFAOYSA-N	-1	0	296.367	1.723	50	30		CDEARM
C#CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(F)c(F)c21	ZINC000034474505	391155068	/nfs/dbraw/zinc/15/50/68/391155068.db2.gz	LAMIOSUTEFAJIC-UHFFFAOYSA-N	-1	0	281.189	1.750	50	30		CDEARM
CC[C@@H](C)S(=O)(=O)[N-]C(=O)c1scnc1C	ZINC000097107171	397605250	/nfs/dbraw/zinc/60/52/50/397605250.db2.gz	CDLZLPZWEIVALK-ZCFIWIBFSA-N	-1	0	262.356	1.884	50	30		CDEARM
COCCCNC(=O)C(C#N)=C([O-])c1ccsc1	ZINC000103502836	397906281	/nfs/dbraw/zinc/90/62/81/397906281.db2.gz	GZVSXMGLVADBBD-SNVBAGLBSA-N	-1	0	266.322	1.223	50	30		CDEARM
O=c1c2ccccc2nc(N=NCc2ccc(O)cc2)n1[O-]	ZINC000005341224	170087601	/nfs/dbraw/zinc/08/76/01/170087601.db2.gz	DFCLAOOVFIWIBJ-CXUHLZMHSA-N	-1	0	296.286	1.785	50	30		CDEARM
COc1ccc(-c2c(C#N)c(N)[n-]c(=O)c2C#N)cc1	ZINC000012370954	295045502	/nfs/dbraw/zinc/04/55/02/295045502.db2.gz	LHVCKOKUYXXLOS-UHFFFAOYSA-N	-1	0	266.260	1.788	50	30		CDEARM
N#Cc1ccc(C(=O)[O-])c(I)c1	ZINC000082048535	303189136	/nfs/dbraw/zinc/18/91/36/303189136.db2.gz	OWTQANSUZFJZRT-UHFFFAOYSA-N	-1	0	273.029	1.861	50	30		CDEARM
CCCCCCCCNC=C1C(=O)[N-]C(=O)NC1=O	ZINC000003157957	520035038	/nfs/dbraw/zinc/03/50/38/520035038.db2.gz	CMIKDTAXEVBWLW-UHFFFAOYSA-N	-1	0	267.329	1.186	50	30		CDEARM
Cc1nnc(NN=CC(F)(F)C(F)(F)F)[n-]c1=O	ZINC000001097904	362541183	/nfs/dbraw/zinc/54/11/83/362541183.db2.gz	IFCYPXFHHPRUKC-XNJYKOPJSA-N	-1	0	271.149	1.481	50	30		CDEARM
C=CCOc1ccc(CN=Nc2nnn[n-]2)cc1OC	ZINC000033154987	357741106	/nfs/dbraw/zinc/74/11/06/357741106.db2.gz	VMPWRPHJCVOHDD-JYRVWZFOSA-N	-1	0	274.284	1.219	50	30		CDEARM
N#Cc1ccc(OC([O-])=NC(=O)C(F)(F)F)cc1	ZINC000003265159	375613203	/nfs/dbraw/zinc/61/32/03/375613203.db2.gz	BODVBPIPIZNONG-UHFFFAOYSA-N	-1	0	258.155	1.736	50	30		CDEARM
CS(=O)(=O)[N-]C(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F	ZINC000096441802	533309165	/nfs/dbraw/zinc/30/91/65/533309165.db2.gz	GLFNNQUGCMKUQS-IONNQARKSA-N	-1	0	275.276	1.984	50	30		CDEARM
CS(=O)(=O)[N-]C(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F	ZINC000096441800	533309419	/nfs/dbraw/zinc/30/94/19/533309419.db2.gz	GLFNNQUGCMKUQS-VXNVDRBHSA-N	-1	0	275.276	1.984	50	30		CDEARM
N#Cc1cc(Br)c(C(=O)[O-])c(C=O)c1	ZINC000263622895	303179334	/nfs/dbraw/zinc/17/93/34/303179334.db2.gz	BTXBRUWNYNDJNO-UHFFFAOYSA-N	-1	0	254.039	1.831	50	30		CDEARM
CCn1cc(S(=O)(=O)[N-]C(=O)c2ccoc2C)cn1	ZINC000096453130	230376620	/nfs/dbraw/zinc/37/66/20/230376620.db2.gz	MXGYQDFNOCAHLF-UHFFFAOYSA-N	-1	0	283.309	1.498	50	30		CDEARM
Cc1cc(C#N)ccc1S(=O)(=O)[N-]C(=O)c1ccoc1	ZINC000195577082	342628987	/nfs/dbraw/zinc/62/89/87/342628987.db2.gz	RVDQGDWEZCCRAP-UHFFFAOYSA-N	-1	0	290.300	1.578	50	30		CDEARM
N#CC1(C(=O)NCc2ccc(C(=O)[O-])o2)CCCC1	ZINC000097036076	185166580	/nfs/dbraw/zinc/16/65/80/185166580.db2.gz	WIPVYILKELYAKQ-UHFFFAOYSA-N	-1	0	262.265	1.678	50	30		CDEARM
O=C1Nc2ccccc2[C@@]1(O)C/C(=N/[O-])c1ccco1	ZINC000000068453	355883558	/nfs/dbraw/zinc/88/35/58/355883558.db2.gz	RBGSZKSXKSMPHR-HNDQUVLASA-N	-1	0	272.260	1.688	50	30		CDEARM
O=C([O-])CCNC(=O)c1cncc(Br)c1	ZINC000082163356	358150416	/nfs/dbraw/zinc/15/04/16/358150416.db2.gz	UXDDCRYZCDOAEL-UHFFFAOYSA-N	-1	0	273.086	1.623	50	30		CDEARM
C=CCN1C(=O)C[C@H](Sc2ncccc2C(=O)[O-])C1=O	ZINC000019881899	364082950	/nfs/dbraw/zinc/08/29/50/364082950.db2.gz	XHHPMJDUDNWSOZ-VIFPVBQESA-N	-1	0	292.316	1.185	50	30		CDEARM
C[C@H](NC(=O)NCCc1ccccc1F)C(=O)[O-]	ZINC000082098460	374581559	/nfs/dbraw/zinc/58/15/59/374581559.db2.gz	JKYHUIFBKZGCIG-QMMMGPOBSA-N	-1	0	254.261	1.345	50	30		CDEARM
O=[N+]([O-])c1cc(Cl)cc(C=Nn2cnnc2)c1[O-]	ZINC000245284184	378041865	/nfs/dbraw/zinc/04/18/65/378041865.db2.gz	QJOLPNZPBHGSTI-UHFFFAOYSA-N	-1	0	267.632	1.428	50	30		CDEARM
COC(=O)c1cc([O-])c(Br)c(C#N)c1	ZINC000263622979	292002453	/nfs/dbraw/zinc/00/24/53/292002453.db2.gz	CPHYFGXUUKHONR-UHFFFAOYSA-N	-1	0	256.055	1.813	50	30		CDEARM
CC(=O)O[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C)cc1	ZINC000003893643	169921062	/nfs/dbraw/zinc/92/10/62/169921062.db2.gz	CELNKQZYEGTTMP-SECBINFHSA-N	-1	0	285.321	1.592	50	30		CDEARM
O=C([O-])C[C@@H]1S/C(=N/N=C/c2ccc(F)cc2)NC1=O	ZINC000006191824	170181948	/nfs/dbraw/zinc/18/19/48/170181948.db2.gz	FMXAJPBZKIEHEK-RGEMTFFCSA-N	-1	0	295.295	1.222	50	30		CDEARM
Cc1cc(=O)[nH]c(NN=Cc2cc([N+](=O)[O-])ccc2[O-])n1	ZINC000036073931	301059586	/nfs/dbraw/zinc/05/95/86/301059586.db2.gz	YUNDSBNOLHOGKA-AWNIVKPZSA-N	-1	0	289.251	1.138	50	30		CDEARM
O=CC1=C([O-])c2cc(Br)ccc2OC1	ZINC000100805559	304724050	/nfs/dbraw/zinc/72/40/50/304724050.db2.gz	WFJGCSIKSOIWIB-ZCFIWIBFSA-N	-1	0	255.067	1.839	50	30		CDEARM
Cc1nc(=O)[n-]c(SCC(=O)N[C@@H](C)C(C)C)c1C#N	ZINC000032776386	260145580	/nfs/dbraw/zinc/14/55/80/260145580.db2.gz	SEDUXKLHLRKMNC-QMMMGPOBSA-N	-1	0	294.380	1.203	50	30		CDEARM
O=C([O-])c1cccc(-n2cccc2/C=N/n2cnnc2)c1	ZINC000000563982	355917526	/nfs/dbraw/zinc/91/75/26/355917526.db2.gz	ZSVJVDMQGNNTAL-CAOOACKPSA-N	-1	0	281.275	1.649	50	30		CDEARM
[O-]/N=C(\Cc1cscn1)c1ccc(O)cc1O	ZINC000100684113	356805786	/nfs/dbraw/zinc/80/57/86/356805786.db2.gz	HJSWDPMDSPLRJI-JLHYYAGUSA-N	-1	0	250.279	1.975	50	30		CDEARM
C=CCN(Cc1n[nH]c(=O)[n-]1)Cc1ccc(OC)cc1	ZINC000092617768	377992898	/nfs/dbraw/zinc/99/28/98/377992898.db2.gz	BTMUPWWREAQAHW-UHFFFAOYSA-N	-1	0	274.324	1.707	50	30		CDEARM
COc1cc(C([O-])=C(C#N)C(=O)NCC(C)C)ccc1F	ZINC000101671893	397809912	/nfs/dbraw/zinc/80/99/12/397809912.db2.gz	HOEBWBSHNGAJQQ-NSHDSACASA-N	-1	0	292.310	1.929	50	30		CDEARM
C=CCSc1nnc([N-]C(=O)c2csnn2)s1	ZINC000009250847	170368523	/nfs/dbraw/zinc/36/85/23/170368523.db2.gz	ROMMWOPXMATFNE-UHFFFAOYSA-N	-1	0	285.379	1.920	50	30		CDEARM
CC[C@@H](C)n1cnc(S(=O)(=O)[N-]c2n[nH]cc2C#N)c1	ZINC000091052491	482531122	/nfs/dbraw/zinc/53/11/22/482531122.db2.gz	KLXWLTXMBDLERD-MRVPVSSYSA-N	-1	0	294.340	1.250	50	30		CDEARM
CC(C)(C)CCS(=O)(=O)[N-]C(=O)CNC(=O)C1CC1	ZINC000084169817	483264044	/nfs/dbraw/zinc/26/40/44/483264044.db2.gz	BGMGXZBRKISTSJ-UHFFFAOYSA-N	-1	0	290.385	1.235	50	30		CDEARM
CC(C)(C)OC(=O)N1CCC([C@H](C#N)C(=O)[O-])CC1	ZINC000756955966	575930410	/nfs/dbraw/zinc/93/04/10/575930410.db2.gz	VSMBJUMSYNIAEI-JTQLQIEISA-N	-1	0	268.313	1.858	50	30		CDEARM
C#CCCC1(CCC(=O)NCc2ccc(C(=O)[O-])o2)N=N1	ZINC000952881056	910445260	/nfs/dbraw/zinc/44/52/60/910445260.db2.gz	KPFJIAQJXBQKER-UHFFFAOYSA-N	-1	0	289.291	1.950	50	30		CDEARM
CC[C@@H](CC#N)NC(=O)c1sc2nnc([S-])n2c1C	ZINC000585089541	930917787	/nfs/dbraw/zinc/91/77/87/930917787.db2.gz	VQRBAGTXFFONKW-ZETCQYMHSA-N	-1	0	295.393	1.810	50	30		CDEARM
C=CCN1C(=O)[N-]C(=O)/C(=C\c2ccccc2OC)C1=O	ZINC000016511468	935642009	/nfs/dbraw/zinc/64/20/09/935642009.db2.gz	VYNIWGBIFNBUDL-PKNBQFBNSA-N	-1	0	286.287	1.343	50	30		CDEARM
CCc1nc([N-]S(=O)(=O)c2ccc(C#N)cc2F)no1	ZINC000095994125	185059512	/nfs/dbraw/zinc/05/95/12/185059512.db2.gz	AHZFZPJJTFORSW-UHFFFAOYSA-N	-1	0	296.283	1.444	50	30		CDEARM
Cc1cc(C)nc(C(C#N)=C([O-])c2cc(C)[nH]c(=O)c2)n1	ZINC000096007972	185064024	/nfs/dbraw/zinc/06/40/24/185064024.db2.gz	NOXLKQZZYDAURZ-LBPRGKRZSA-N	-1	0	282.303	1.580	50	30		CDEARM
C=CC[C@]1(C(=O)[O-])CCCN(C(=O)Cn2nccc2C)C1	ZINC000091679088	180225484	/nfs/dbraw/zinc/22/54/84/180225484.db2.gz	VPBSLIMZRDHRIU-HNNXBMFYSA-N	-1	0	291.351	1.461	50	30		CDEARM
C=CCN(CC(=O)[O-])C(=O)c1ccc(C(F)(F)F)nc1	ZINC000092463573	180390191	/nfs/dbraw/zinc/39/01/91/180390191.db2.gz	RRNQPCKDFSIJKT-UHFFFAOYSA-N	-1	0	288.225	1.813	50	30		CDEARM
O=C(NCc1cccnc1)/C(=N\[O-])c1ccccc1	ZINC000018254784	355905428	/nfs/dbraw/zinc/90/54/28/355905428.db2.gz	JSPMCWULEIWYLR-LGMDPLHJSA-N	-1	0	255.277	1.576	50	30		CDEARM
O=[N+]([O-])c1cc(Cl)cc(C=NN2CCOCC2)c1[O-]	ZINC000252511805	367680604	/nfs/dbraw/zinc/68/06/04/367680604.db2.gz	KTBNANPMPYLFDB-UHFFFAOYSA-N	-1	0	285.687	1.620	50	30		CDEARM
Cc1csc([N-]S(=O)(=O)c2cccc(C#N)c2)n1	ZINC000019436766	374734411	/nfs/dbraw/zinc/73/44/11/374734411.db2.gz	RUMLKRHBXRFJAW-UHFFFAOYSA-N	-1	0	279.346	1.546	50	30		CDEARM
COCCn1cc(C(=O)c2ccccc2[O-])cc(C#N)c1=O	ZINC000003278537	375617877	/nfs/dbraw/zinc/61/78/77/375617877.db2.gz	AOARUFPTPJIVAY-UHFFFAOYSA-N	-1	0	298.298	1.303	50	30		CDEARM
COCCCNC(=O)C(C#N)=C([O-])c1ccc(C)cc1	ZINC000103502858	397906435	/nfs/dbraw/zinc/90/64/35/397906435.db2.gz	HCEBMQGASCBYDW-ZDUSSCGKSA-N	-1	0	274.320	1.470	50	30		CDEARM
N#CCOc1ccccc1[C@H]1N[C@@H](C(=O)[O-])CS1	ZINC000004992616	170051036	/nfs/dbraw/zinc/05/10/36/170051036.db2.gz	ZALCOFDLEUBSTK-KOLCDFICSA-N	-1	0	264.306	1.377	50	30		CDEARM
C=CCNc1ccccc1C(=O)N[C@H](C)c1n[nH]c(=O)[n-]1	ZINC000055282599	518962107	/nfs/dbraw/zinc/96/21/07/518962107.db2.gz	UXTQYXBVIRJRJZ-SECBINFHSA-N	-1	0	287.323	1.187	50	30		CDEARM
CC(C)c1ccc(NN=C2C(=O)[N-]C(=S)NC2=O)cc1	ZINC000000137418	355889312	/nfs/dbraw/zinc/88/93/12/355889312.db2.gz	WYBRFEIUBTUMGT-UHFFFAOYSA-N	-1	0	290.348	1.109	50	30		CDEARM
CC(=NNC1=NC(=O)C[C@H](C(=O)[O-])S1)c1ccccc1	ZINC000000167965	355892372	/nfs/dbraw/zinc/89/23/72/355892372.db2.gz	MWRAGBLQCRBEBH-IIBSKXHVSA-N	-1	0	291.332	1.473	50	30		CDEARM
C=CCNC(=S)N=NCc1ccc([O-])c([N+](=O)[O-])c1	ZINC000001912936	355955563	/nfs/dbraw/zinc/95/55/63/355955563.db2.gz	DJABYGMFSRZEDA-NTUHNPAUSA-N	-1	0	280.309	1.696	50	30		CDEARM
CCN(CC)c1ccc(C=[NH+][N-]c2nnn[n-]2)cc1	ZINC000004043083	356015974	/nfs/dbraw/zinc/01/59/74/356015974.db2.gz	UPIXXZNPLPKAND-UKTHLTGXSA-N	-1	0	259.317	1.492	50	30		CDEARM
CC(C)[C@](C)(C#N)NC(=O)COc1ccc(C(=O)[O-])cc1	ZINC000013412687	356345816	/nfs/dbraw/zinc/34/58/16/356345816.db2.gz	PUMFGNWKHFUXST-HNNXBMFYSA-N	-1	0	290.319	1.818	50	30		CDEARM
O=C([O-])CCCNC=C1C(=O)c2ccccc2C1=O	ZINC000019831141	356507603	/nfs/dbraw/zinc/50/76/03/356507603.db2.gz	DDDXIGJNMNUKQV-UHFFFAOYSA-N	-1	0	259.261	1.404	50	30		CDEARM
CC(=O)C1=C(O)C(=O)N(CC(=O)[O-])[C@@H]1c1ccccc1F	ZINC000000283293	359429509	/nfs/dbraw/zinc/42/95/09/359429509.db2.gz	VEPGUGQACYDATA-GFCCVEGCSA-N	-1	0	293.250	1.195	50	30		CDEARM
C=CCn1c(SCC(=O)[O-])nnc1-c1ccncc1	ZINC000169882245	372092323	/nfs/dbraw/zinc/09/23/23/372092323.db2.gz	IPVGRTRXDCWQLV-UHFFFAOYSA-N	-1	0	276.321	1.703	50	30		CDEARM
C=C(C)C[C@H](C)C(=O)N1CC[C@@](COC)(C(=O)[O-])C1	ZINC000263173703	533534179	/nfs/dbraw/zinc/53/41/79/533534179.db2.gz	YYYLZWOHUDQBHX-SMDDNHRTSA-N	-1	0	269.341	1.538	50	30		CDEARM
COC[C@@H](C)NC(=O)C(C#N)=C([O-])c1cccc(OC)c1	ZINC000103502957	397906698	/nfs/dbraw/zinc/90/66/98/397906698.db2.gz	QAZHMFVJUODEHJ-ZWNOBZJWSA-N	-1	0	290.319	1.169	50	30		CDEARM
C/C(=N/N=C1/NC(=O)C[C@@H](C(=O)[O-])S1)c1cccs1	ZINC000005455439	170100549	/nfs/dbraw/zinc/10/05/49/170100549.db2.gz	KTCLSQQHLVLHNU-BYODANBRSA-N	-1	0	297.361	1.534	50	30		CDEARM
COC(=O)c1cc(-c2ccc(OC)cc2)[n-]c(=O)c1C#N	ZINC000008655364	170344459	/nfs/dbraw/zinc/34/44/59/170344459.db2.gz	KDXKZLJKVPEQRO-UHFFFAOYSA-N	-1	0	284.271	1.709	50	30		CDEARM
C=CCN1C(=O)[N-]C(=O)C(=CNc2ccc(F)cc2)C1=O	ZINC000008972174	170359789	/nfs/dbraw/zinc/35/97/89/170359789.db2.gz	CCPCNPIJDRUGNG-DHZHZOJOSA-N	-1	0	289.266	1.590	50	30		CDEARM
C=C(C)C[C@H](C)C(=O)N1CC[C@](COC)(C(=O)[O-])C1	ZINC000263173701	277782716	/nfs/dbraw/zinc/78/27/16/277782716.db2.gz	YYYLZWOHUDQBHX-FZMZJTMJSA-N	-1	0	269.341	1.538	50	30		CDEARM
N#Cc1ccc(N2CCC[C@H]2C(=O)[O-])c([N+](=O)[O-])c1	ZINC000004051738	303193828	/nfs/dbraw/zinc/19/38/28/303193828.db2.gz	UYIWNUZVBXSYDJ-JTQLQIEISA-N	-1	0	261.237	1.520	50	30		CDEARM
C=C(C)C[C@@H](C)C(=O)Nc1cc(=O)n2[n-]ccc2n1	ZINC000585126680	1164214106	/nfs/dbraw/zinc/21/41/06/1164214106.db2.gz	FSLMVHLUGJDJCS-SECBINFHSA-N	-1	0	260.297	1.563	50	30		CDEARM
C#CCCC1(CCC(=O)N2CCO[C@@H](CC(=O)[O-])C2)N=N1	ZINC000952876266	910432758	/nfs/dbraw/zinc/43/27/58/910432758.db2.gz	JCAOOANKYSSZKV-NSHDSACASA-N	-1	0	293.323	1.044	50	30		CDEARM
C=CCN(Cc1ccccc1OC)C(=O)N[C@H](C)C(=O)[O-]	ZINC001506424827	975159776	/nfs/dbraw/zinc/15/97/76/975159776.db2.gz	LXKUIEOBAVEEAW-LLVKDONJSA-N	-1	0	292.335	1.866	50	30		CDEARM
CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)Nc1ccccc1C#N	ZINC000061721770	362096704	/nfs/dbraw/zinc/09/67/04/362096704.db2.gz	HRJIVQUOAHVIQB-QWRGUYRKSA-N	-1	0	258.277	1.854	50	30		CDEARM
N#Cc1ccc(C(=O)NC2(CC(=O)[O-])CCOCC2)cc1	ZINC000610847257	346469093	/nfs/dbraw/zinc/46/90/93/346469093.db2.gz	VICFEFAXKJMBJM-UHFFFAOYSA-N	-1	0	288.303	1.312	50	30		CDEARM
N#Cc1cc(S(=O)(=O)[N-]c2ncns2)ccc1F	ZINC000095629690	351422160	/nfs/dbraw/zinc/42/21/60/351422160.db2.gz	WSEFNWFOCLULGP-UHFFFAOYSA-N	-1	0	284.297	1.350	50	30		CDEARM
O=C([O-])c1ccc(-n2cccc2/C=N/n2cnnc2)cc1	ZINC000001105567	355929094	/nfs/dbraw/zinc/92/90/94/355929094.db2.gz	IUXSMDCHPIJHTP-CAOOACKPSA-N	-1	0	281.275	1.649	50	30		CDEARM
CCCCNC(=O)N=S(=O)([O-])c1ccc(C)cc1	ZINC000001530703	355938756	/nfs/dbraw/zinc/93/87/56/355938756.db2.gz	JLRGJRBPOGGCBT-UHFFFAOYSA-N	-1	0	270.354	1.987	50	30	fda	CDEARM
COc1ccc(C=CC([O-])=C2C(=O)COC2=O)cc1OC	ZINC000100319959	358827183	/nfs/dbraw/zinc/82/71/83/358827183.db2.gz	BRACNOSWHCPFPP-LYKUJDHUSA-N	-1	0	290.271	1.028	50	30		CDEARM
C=CCN(CC(=O)[O-])C(=O)c1cc(C2CC2)on1	ZINC000092463308	374085868	/nfs/dbraw/zinc/08/58/68/374085868.db2.gz	FYNBNOJPDICWHX-UHFFFAOYSA-N	-1	0	250.254	1.265	50	30		CDEARM
Cc1cc(C(=O)[N-]S(C)(=O)=O)c(C)n1-c1ccccn1	ZINC000095351147	374888020	/nfs/dbraw/zinc/88/80/20/374888020.db2.gz	OJLNUCJBHHLGTA-UHFFFAOYSA-N	-1	0	293.348	1.753	50	30		CDEARM
N#Cc1ccc(S(=O)(=O)[N-]c2nccn3ccnc23)cc1	ZINC000095466356	374961866	/nfs/dbraw/zinc/96/18/66/374961866.db2.gz	FMJBEEXRFOUQLS-UHFFFAOYSA-N	-1	0	299.315	1.402	50	30		CDEARM
C=CCN1C(=O)C[C@@H](Sc2ncccc2C(=O)[O-])C1=O	ZINC000005016053	170056237	/nfs/dbraw/zinc/05/62/37/170056237.db2.gz	XHHPMJDUDNWSOZ-SECBINFHSA-N	-1	0	292.316	1.185	50	30		CDEARM
Nc1nonc1/C(=N/[O-])Nc1ccc(F)c(Cl)c1	ZINC000045319649	175358956	/nfs/dbraw/zinc/35/89/56/175358956.db2.gz	HGXSLPIXNPASGZ-UHFFFAOYSA-N	-1	0	271.639	1.692	50	30	in-vitro	CDEARM
CC(C)(C(=O)[O-])n1cc(NC(=O)C2(C#N)CCCC2)cn1	ZINC000193016111	262214364	/nfs/dbraw/zinc/21/43/64/262214364.db2.gz	RBALPLFAQYAHCG-UHFFFAOYSA-N	-1	0	290.323	1.725	50	30		CDEARM
N#Cc1nc(NC(=O)Cc2ccc(Cl)nc2)[n-]c1C#N	ZINC000111561959	424067371	/nfs/dbraw/zinc/06/73/71/424067371.db2.gz	XKCPMIDCRNMOKG-UHFFFAOYSA-N	-1	0	286.682	1.383	50	30		CDEARM
O=C1c2cccc3cc(S(=O)(=O)[O-])cc(c32)C(=O)N1O	ZINC000003056980	304720821	/nfs/dbraw/zinc/72/08/21/304720821.db2.gz	XJDFARQJVYRGQM-UHFFFAOYSA-N	-1	0	293.256	1.072	50	30		CDEARM
C=CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)[O-])cc1C	ZINC000382512325	336092056	/nfs/dbraw/zinc/09/20/56/336092056.db2.gz	RZHBVPNGYXIDAD-JTQLQIEISA-N	-1	0	283.349	1.936	50	30		CDEARM
Cc1cc(=O)[nH]c(NN=Cc2cc([N+](=O)[O-])ccc2[O-])n1	ZINC000254742419	793835599	/nfs/dbraw/zinc/83/55/99/793835599.db2.gz	YUNDSBNOLHOGKA-UHFFFAOYSA-N	-1	0	289.251	1.550	50	30		CDEARM
C#CCCC1(CCC(=O)N[C@@]2(CC(=O)[O-])CCOC2)N=N1	ZINC000952876753	910435874	/nfs/dbraw/zinc/43/58/74/910435874.db2.gz	WBLQVERSOOSKQU-CYBMUJFWSA-N	-1	0	293.323	1.092	50	30		CDEARM
CCCCNC(=O)N=S(=O)([O-])c1ccc(OC)cc1	ZINC000003650636	539048103	/nfs/dbraw/zinc/04/81/03/539048103.db2.gz	IRMBSCHMQJLMEG-UHFFFAOYSA-N	-1	0	286.353	1.688	50	30		CDEARM
C=CC[C@@]1(C(=O)[O-])CCCN(S(=O)(=O)C2CC2)C1	ZINC000091987259	180298728	/nfs/dbraw/zinc/29/87/28/180298728.db2.gz	GZKPWUJDEROLBL-GFCCVEGCSA-N	-1	0	273.354	1.222	50	30		CDEARM
CC(=O)C1=C(O)C(=O)N(CC(=O)[O-])[C@H]1c1ccc(F)cc1	ZINC000004638264	356039188	/nfs/dbraw/zinc/03/91/88/356039188.db2.gz	DTPGSPZPVXHQQY-LBPRGKRZSA-N	-1	0	293.250	1.195	50	30		CDEARM
CCOc1ccccc1/C=N/Nc1nc(=O)c(C)n[n-]1	ZINC000003902045	356012644	/nfs/dbraw/zinc/01/26/44/356012644.db2.gz	SETXINSDBKUEDN-RIYZIHGNSA-N	-1	0	273.296	1.318	50	30		CDEARM
C=CCN1C(=O)[N-]C(=O)C(=Cc2ccc(O)c(O)c2)C1=O	ZINC000017029170	367010219	/nfs/dbraw/zinc/01/02/19/367010219.db2.gz	WHXHHYBHDFANMS-RMKNXTFCSA-N	-1	0	288.259	1.586	50	30		CDEARM
N#Cc1cccnc1N1C[C@H](C(=O)[O-])C2(CCC2)C1	ZINC000575608518	370625355	/nfs/dbraw/zinc/62/53/55/370625355.db2.gz	NVYWVQYYPSTHJU-LLVKDONJSA-N	-1	0	257.293	1.644	50	30		CDEARM
Cc1ncsc1C([O-])=C(C#N)C(=O)NC1CCCC1	ZINC000102708137	373638074	/nfs/dbraw/zinc/63/80/74/373638074.db2.gz	PYJXPPSAGFGPQM-SNVBAGLBSA-N	-1	0	277.349	1.833	50	30		CDEARM
C[C@@H](CS(=O)(=O)Nc1cccc(C#N)c1)C(=O)[O-]	ZINC000019984034	374833279	/nfs/dbraw/zinc/83/32/79/374833279.db2.gz	FTYPKCPWRASREP-QMMMGPOBSA-N	-1	0	268.294	1.021	50	30		CDEARM
CCC[C@H](C)S(=O)(=O)[N-]C(=O)c1cccnc1	ZINC000095426614	374926925	/nfs/dbraw/zinc/92/69/25/374926925.db2.gz	OSLASODYQRRWAJ-VIFPVBQESA-N	-1	0	256.327	1.905	50	30		CDEARM
COC(=O)c1cc(-c2ccncc2)[n-]c(=O)c1C#N	ZINC000005316364	170085126	/nfs/dbraw/zinc/08/51/26/170085126.db2.gz	VQDQSTOTFXMDER-UHFFFAOYSA-N	-1	0	255.233	1.507	50	30		CDEARM
Cc1n[n-]c(=S)n(N=Cc2cccc(F)c2)c1=O	ZINC000006685098	170226457	/nfs/dbraw/zinc/22/64/57/170226457.db2.gz	BZBGSIBBMXARGQ-AWNIVKPZSA-N	-1	0	264.285	1.631	50	30		CDEARM
N#CC1(NC(=O)COc2ccc(C(=O)[O-])cc2)CCCC1	ZINC000013418689	170549016	/nfs/dbraw/zinc/54/90/16/170549016.db2.gz	VYAMTPDDEXXDBO-UHFFFAOYSA-N	-1	0	288.303	1.716	50	30		CDEARM
C=CCN(C)S(=O)(=O)c1cccc(C(=O)[O-])c1	ZINC000041325270	174521995	/nfs/dbraw/zinc/52/19/95/174521995.db2.gz	RVPFXVZBGPTHSM-UHFFFAOYSA-N	-1	0	255.295	1.191	50	30		CDEARM
N#Cc1c([O-])c2cccc([N+](=O)[O-])c2c(O)c1C#N	ZINC000002567292	303177564	/nfs/dbraw/zinc/17/75/64/303177564.db2.gz	FFSZGCAJTTUCCU-UHFFFAOYSA-N	-1	0	255.189	1.903	50	30		CDEARM
C=CC[C@@]1(C(=O)[O-])CCCN(C(=O)c2cnc(C)cn2)C1	ZINC000091381541	180143853	/nfs/dbraw/zinc/14/38/53/180143853.db2.gz	KQGXIGADDPHKQT-OAHLLOKOSA-N	-1	0	289.335	1.668	50	30		CDEARM
Cc1ccc(C=Nn2c(=O)c(C)n[n-]c2=S)o1	ZINC000254291904	374014042	/nfs/dbraw/zinc/01/40/42/374014042.db2.gz	QJIXIMQCJFVRSN-UHFFFAOYSA-N	-1	0	250.283	1.019	50	30		CDEARM
Cc1c(C(=O)[O-])oc2c1/C(=N/NC(N)=S)CC(C)(C)C2	ZINC000013557137	390208199	/nfs/dbraw/zinc/20/81/99/390208199.db2.gz	JMGLKDMQHBFGCH-VIZOYTHASA-N	-1	0	295.364	1.796	50	30		CDEARM
COCCCNC(=O)C(C#N)=C([O-])c1cc(C)cc(C)c1	ZINC000103502805	397906357	/nfs/dbraw/zinc/90/63/57/397906357.db2.gz	LLPPJFDUZKJMAG-CQSZACIVSA-N	-1	0	288.347	1.779	50	30		CDEARM
COC[C@H](C)NC(=O)C(C#N)=C([O-])c1cccc(OC)c1	ZINC000103502954	397906687	/nfs/dbraw/zinc/90/66/87/397906687.db2.gz	QAZHMFVJUODEHJ-GXFFZTMASA-N	-1	0	290.319	1.169	50	30		CDEARM
N#Cc1cc(Br)c(C(=O)[O-])cc1C=O	ZINC000263622976	303179278	/nfs/dbraw/zinc/17/92/78/303179278.db2.gz	COESXLWZCYRVSO-UHFFFAOYSA-N	-1	0	254.039	1.831	50	30		CDEARM
O=C([O-])C#C[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1	ZINC000864092669	813908090	/nfs/dbraw/zinc/90/80/90/813908090.db2.gz	SQKYNGOKXGIUCG-JTQLQIEISA-N	-1	0	299.373	1.237	50	30		CDEARM
C#CCCC1(CCC(=O)N2CC[C@@H](C(=O)[O-])[C@@H]2C)N=N1	ZINC000952876732	910434682	/nfs/dbraw/zinc/43/46/82/910434682.db2.gz	VPEYXEWMSRTXFG-WDEREUQCSA-N	-1	0	277.324	1.664	50	30		CDEARM
COc1ccc(C(C)N=Nc2nnn[n-]2)c(OC)c1	ZINC000004737803	539059407	/nfs/dbraw/zinc/05/94/07/539059407.db2.gz	WNSSINRXWJLGDI-KPKJPENVSA-N	-1	0	262.273	1.053	50	30		CDEARM
Nc1nnnn1N=Cc1cc(Cl)c([O-])c(Cl)c1	ZINC000252426415	303506813	/nfs/dbraw/zinc/50/68/13/303506813.db2.gz	AXBPGCIPYJXZJA-UHFFFAOYSA-N	-1	0	273.083	1.150	50	30		CDEARM
Cc1ccsc1/C=N/N=C1/NC(=O)[C@H](CC(=O)[O-])S1	ZINC000001154398	355929982	/nfs/dbraw/zinc/92/99/82/355929982.db2.gz	IRBAJKOAKSBOLH-FWVBMKIOSA-N	-1	0	297.361	1.453	50	30		CDEARM
C=CCc1cccc(/C=N/CCS(=O)(=O)[O-])c1O	ZINC000019707932	356497058	/nfs/dbraw/zinc/49/70/58/356497058.db2.gz	QGENCRWXRCVNCU-UKTHLTGXSA-N	-1	0	269.322	1.427	50	30		CDEARM
C=CCN1C(=O)C[C@H](Sc2ccccc2C(=O)[O-])C1=O	ZINC000019881887	364083168	/nfs/dbraw/zinc/08/31/68/364083168.db2.gz	CUHDUFAYFINIDM-NSHDSACASA-N	-1	0	291.328	1.790	50	30		CDEARM
Cc1cc(F)cc(S(=O)(=O)[N-]c2cnn(CC#N)c2)c1	ZINC000095406393	374909479	/nfs/dbraw/zinc/90/94/79/374909479.db2.gz	RBJLVCADNOLKHM-UHFFFAOYSA-N	-1	0	294.311	1.655	50	30		CDEARM
CC(C)(O)C#Cc1ccc(C(=O)NC2(C(=O)[O-])CCC2)o1	ZINC000426634335	391262922	/nfs/dbraw/zinc/26/29/22/391262922.db2.gz	STGGAWFLXQAKOY-UHFFFAOYSA-N	-1	0	291.303	1.139	50	30		CDEARM
O=C([O-])C[C@H]1S/C(=N/N=C2CCCCC2)NC1=O	ZINC000005374136	170090349	/nfs/dbraw/zinc/09/03/49/170090349.db2.gz	ZVCAKYNYASXLJB-MRVPVSSYSA-N	-1	0	269.326	1.369	50	30		CDEARM
O=C([O-])Cc1sc(NN=Cc2ccccc2F)nc1O	ZINC000006863677	170250942	/nfs/dbraw/zinc/25/09/42/170250942.db2.gz	RCISXQNALFJNMZ-ISKYKNHCSA-N	-1	0	295.295	1.222	50	30		CDEARM
O=C([O-])[C@@H](Cc1ccccc1)NC=CC(=O)C(F)(F)F	ZINC000019229857	170755986	/nfs/dbraw/zinc/75/59/86/170755986.db2.gz	MLIIENMBDGAIEZ-VQCYPWCPSA-N	-1	0	287.237	1.917	50	30	biogenic	CDEARM
CCOC(=O)C(N=Nc1cc([N+](=O)[O-])ccc1[O-])C(C)=O	ZINC000020609008	171267612	/nfs/dbraw/zinc/26/76/12/171267612.db2.gz	RJLRQNFNIAEBAY-SDNWHVSQSA-N	-1	0	295.251	1.220	50	30		CDEARM
CC1=CC(=O)C(=C([O-])C=Cc2ccccc2)C(=O)O1	ZINC000021763031	171321277	/nfs/dbraw/zinc/32/12/77/171321277.db2.gz	VPYUEWGWFJDJNO-HSBSLETESA-N	-1	0	256.257	1.915	50	30		CDEARM
N#CCc1cccc(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)c1	ZINC000263290775	330051825	/nfs/dbraw/zinc/05/18/25/330051825.db2.gz	MCFGNVWBBWEGCE-TXEJJXNPSA-N	-1	0	258.277	1.346	50	30		CDEARM
Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cnccn1	ZINC000097162343	545522463	/nfs/dbraw/zinc/52/24/63/545522463.db2.gz	JOLVUDNGIJXXPX-UHFFFAOYSA-N	-1	0	274.305	1.458	50	30		CDEARM
Cc1cc(C#N)ccc1S(=O)(=O)[N-]C(=O)C(C)C	ZINC000195577085	342628879	/nfs/dbraw/zinc/62/88/79/342628879.db2.gz	QSFHPZWTZZIXNL-UHFFFAOYSA-N	-1	0	266.322	1.328	50	30		CDEARM
C=CCS(=O)(=O)[N-]C(=O)c1cnn(CC(C)C)c1	ZINC000097081479	185524656	/nfs/dbraw/zinc/52/46/56/185524656.db2.gz	BIFIYMRXHZWAPJ-UHFFFAOYSA-N	-1	0	271.342	1.360	50	30		CDEARM
Cc1n[n-]c(N/N=C/c2ccccc2Cl)nc1=O	ZINC000003901977	356012829	/nfs/dbraw/zinc/01/28/29/356012829.db2.gz	RJADAQKCHSOGND-AWNIVKPZSA-N	-1	0	263.688	1.573	50	30		CDEARM
CSC(=N)N/N=C/c1cccc(C(=O)[O-])c1O	ZINC000019881142	356514146	/nfs/dbraw/zinc/51/41/46/356514146.db2.gz	DJVLETPIOHJEMX-LFYBBSHMSA-N	-1	0	253.283	1.312	50	30		CDEARM
C=CCNC(=O)[C@H](C)Oc1cc(C(=O)[O-])ccc1C	ZINC000013278179	361317600	/nfs/dbraw/zinc/31/76/00/361317600.db2.gz	WKRCNJULYQOCGM-JTQLQIEISA-N	-1	0	263.293	1.763	50	30		CDEARM
O=C([O-])C[C@H]1S/C(=N/N=C[C@H]2CC=CCC2)NC1=O	ZINC000252511841	367680748	/nfs/dbraw/zinc/68/07/48/367680748.db2.gz	LCXSJKUTAYWTNE-DTWKUNHWSA-N	-1	0	281.337	1.391	50	30		CDEARM
O=c1[n-][nH]c(=O)c2cccc(N=Cc3cccc(O)c3)c12	ZINC000252625057	369341276	/nfs/dbraw/zinc/34/12/76/369341276.db2.gz	QBXKXGNTMJIOSL-UHFFFAOYSA-N	-1	0	281.271	1.673	50	30		CDEARM
CC(=O)c1ccc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)s1	ZINC000026270333	369838643	/nfs/dbraw/zinc/83/86/43/369838643.db2.gz	XDJVYEXRTLCPDT-UHFFFAOYSA-N	-1	0	285.288	1.669	50	30		CDEARM
CCOc1ccc(/C=N/Nc2nc(=O)cn[n-]2)cc1OC	ZINC000003945075	371939025	/nfs/dbraw/zinc/93/90/25/371939025.db2.gz	FBTLCVONJXFAIY-VGOFMYFVSA-N	-1	0	289.295	1.018	50	30		CDEARM
CCNC(=O)C(=N[O-])P(=O)(OCC)OCC	ZINC000252679483	372282302	/nfs/dbraw/zinc/28/23/02/372282302.db2.gz	NCBHUYFBBUTUOY-UHFFFAOYSA-N	-1	0	252.207	1.176	50	30		CDEARM
C/C(=N\c1ccccc1N)c1c(O)nc([O-])sc1=O	ZINC000390834955	374851255	/nfs/dbraw/zinc/85/12/55/374851255.db2.gz	WCJXCLOKUBJTRL-MKMNVTDBSA-N	-1	0	277.305	1.637	50	30		CDEARM
Cc1cc(=O)n2[n-]cc(C(=O)Nc3ccccc3C#N)c2n1	ZINC000067225463	376919234	/nfs/dbraw/zinc/91/92/34/376919234.db2.gz	FCROLSXLLBSCKF-UHFFFAOYSA-N	-1	0	293.286	1.455	50	30		CDEARM
CC(=O)[C@H](CC(=O)[O-])C1C(=O)CC(C)(C)CC1=O	ZINC000000129275	278234607	/nfs/dbraw/zinc/23/46/07/278234607.db2.gz	JSHYQFFZRQCDTK-QMMMGPOBSA-N	-1	0	254.282	1.868	50	30		CDEARM
COc1ccc(C=Nn2c(=O)c(C)n[n-]c2=S)cc1	ZINC000254399165	826857918	/nfs/dbraw/zinc/85/79/18/826857918.db2.gz	JBOJLCRPMLDLJU-UHFFFAOYSA-N	-1	0	276.321	1.126	50	30		CDEARM
CC#CCNC(=O)Cc1ccc(Br)c(O)c1	ZINC000585132014	902294114	/nfs/dbraw/zinc/29/41/14/902294114.db2.gz	MSRXSAFYKFDHBF-UHFFFAOYSA-N	-1	0	282.137	1.837	50	30		CDEARM
C=C(C)C[C@@H](C)C(=O)Nc1ccc([O-])c(S(N)(=O)=O)c1	ZINC000585107776	930945326	/nfs/dbraw/zinc/94/53/26/930945326.db2.gz	PULMIWFUBCKRPU-SECBINFHSA-N	-1	0	298.364	1.580	50	30		CDEARM
CC(=O)C1=C(O)C(=O)N(CCC(=O)[O-])[C@@H]1c1ccccc1	ZINC000000074312	355884171	/nfs/dbraw/zinc/88/41/71/355884171.db2.gz	XFMRNIFNQMSMDQ-CYBMUJFWSA-N	-1	0	289.287	1.446	50	30		CDEARM
C#CC(C)(C)OC(=O)[C@H]1CC(C)=CC[C@@H]1C(=O)[O-]	ZINC000001065803	361455933	/nfs/dbraw/zinc/45/59/33/361455933.db2.gz	AMYOAUDTVJPWAJ-QWRGUYRKSA-N	-1	0	250.294	1.999	50	30		CDEARM
CC(C)c1ccc(S(=O)(=O)[N-]C(=O)[C@@H](C)O)cc1	ZINC000000236734	373465465	/nfs/dbraw/zinc/46/54/65/373465465.db2.gz	FXYOVOUVWCCSAH-SECBINFHSA-N	-1	0	271.338	1.836	50	30		CDEARM
Cc1nnc(NN=Cc2ccc(OC(C)C)cc2)[n-]c1=O	ZINC000007994949	170312881	/nfs/dbraw/zinc/31/28/81/170312881.db2.gz	ZPFGHMBEFKLASN-OVCLIPMQSA-N	-1	0	287.323	1.707	50	30		CDEARM
Cc1ccc(/C=N/N=C2\NC(=O)[C@H](CC(=O)[O-])S2)s1	ZINC000009109506	170363384	/nfs/dbraw/zinc/36/33/84/170363384.db2.gz	FBENZQSCNHOSSL-QOMRTYFESA-N	-1	0	297.361	1.453	50	30		CDEARM
C/C(=N\Nc1nc(=O)c(C)n[n-]1)c1ccc([N+](=O)[O-])cc1	ZINC000009236742	170367889	/nfs/dbraw/zinc/36/78/89/170367889.db2.gz	DYTIRTBTNWQEPY-VGOFMYFVSA-N	-1	0	288.267	1.218	50	30		CDEARM
CNC(=O)C(C#N)=C([O-])c1ccc(C)c(Cl)c1	ZINC000100819247	290525238	/nfs/dbraw/zinc/52/52/38/290525238.db2.gz	GOTYPEYALRTEDO-VIFPVBQESA-N	-1	0	250.685	1.717	50	30		CDEARM
Cc1nnc(SCC(=O)[O-])n1/N=C/c1ccccc1	ZINC000006223712	326817861	/nfs/dbraw/zinc/81/78/61/326817861.db2.gz	KTWMIRNVAZMOQF-NTUHNPAUSA-N	-1	0	276.321	1.645	50	30		CDEARM
C=CCN(CC(=O)[O-])C(=O)c1ccc2ncccc2c1	ZINC000092463322	180390454	/nfs/dbraw/zinc/39/04/54/180390454.db2.gz	JOTBNAVCPKWIGP-UHFFFAOYSA-N	-1	0	270.288	1.948	50	30		CDEARM
Cc1n[n-]c(=S)n(N=Cc2cccs2)c1=O	ZINC000100151847	358949338	/nfs/dbraw/zinc/94/93/38/358949338.db2.gz	AEIJIVSLBHKEDO-BJMVGYQFSA-N	-1	0	252.324	1.553	50	30		CDEARM
C#CCNC(=O)c1ccc2c(c1)[n-]c(=S)n(CC)c2=O	ZINC000102178033	370923913	/nfs/dbraw/zinc/92/39/13/370923913.db2.gz	ZZZMUTWRCKNTDJ-UHFFFAOYSA-N	-1	0	287.344	1.068	50	30		CDEARM
N#Cc1nc(NC(=O)c2ccccc2F)[n-]c1C#N	ZINC000026273739	369850266	/nfs/dbraw/zinc/85/02/66/369850266.db2.gz	YMQUKBHUHLMDDC-UHFFFAOYSA-N	-1	0	255.212	1.544	50	30		CDEARM
O=C([O-])[C@H]1CC(=O)N=C(NN=C2CCCCC2)S1	ZINC000003893652	371103264	/nfs/dbraw/zinc/10/32/64/371103264.db2.gz	HUURHTSEIJRTGI-MRVPVSSYSA-N	-1	0	269.326	1.369	50	30		CDEARM
C/C(=N/N=C1\NC(=O)C[C@H](C(=O)[O-])S1)c1cccs1	ZINC000000052696	169518736	/nfs/dbraw/zinc/51/87/36/169518736.db2.gz	KTCLSQQHLVLHNU-NWKJQJTJSA-N	-1	0	297.361	1.534	50	30		CDEARM
C#CC[C@@]1(C(=O)[O-])CCCN1C(=O)OC(C)(C)C	ZINC000004241288	390150950	/nfs/dbraw/zinc/15/09/50/390150950.db2.gz	NZGJCBRBXVANRO-ZDUSSCGKSA-N	-1	0	253.298	1.864	50	30		CDEARM
CC(=O)[N-]S(=O)(=O)c1ccccc1NC(C)=O	ZINC000071772746	390618979	/nfs/dbraw/zinc/61/89/79/390618979.db2.gz	WDBXQFPHAMUDHG-UHFFFAOYSA-N	-1	0	256.283	1.310	50	30		CDEARM
CNC(=O)C(C#N)=C([O-])c1cc2ccccc2n1CCOC	ZINC000101372544	397789746	/nfs/dbraw/zinc/78/97/46/397789746.db2.gz	XOSZIPXFNCKUDU-GFCCVEGCSA-N	-1	0	299.330	1.356	50	30		CDEARM
O=c1c2ccccc2nc(NN=Cc2ccccc2O)n1[O-]	ZINC000005443673	170099899	/nfs/dbraw/zinc/09/98/99/170099899.db2.gz	DLZLEGQTHLAMLH-CXUHLZMHSA-N	-1	0	296.286	1.785	50	30		CDEARM
C=C(C)C[C@H](C)C(=O)N1CCOC[C@H]1CC(=O)[O-]	ZINC000263291596	330051720	/nfs/dbraw/zinc/05/17/20/330051720.db2.gz	LNLAVUQKFTTZBZ-WDEREUQCSA-N	-1	0	255.314	1.291	50	30		CDEARM
NC(=O)C(=CC(=O)c1ccccc1[O-])NCc1ccccc1	ZINC000022016629	895100895	/nfs/dbraw/zinc/10/08/95/895100895.db2.gz	NEEUKZQZSVFZJT-UVTDQMKNSA-N	-1	0	296.326	1.734	50	30		CDEARM
CCCN(CC(=O)[O-])C(=O)c1cccc(CC#N)c1	ZINC000095970019	185048964	/nfs/dbraw/zinc/04/89/64/185048964.db2.gz	MTSLAHLDSHVUOG-UHFFFAOYSA-N	-1	0	260.293	1.689	50	30		CDEARM
CN1C(=O)CS/C1=N\c1cccc(C(=O)[O-])c1	ZINC000012364227	359237976	/nfs/dbraw/zinc/23/79/76/359237976.db2.gz	VPIAMVJQJJHOFF-QXMHVHEDSA-N	-1	0	250.279	1.578	50	30		CDEARM
N#Cc1c(=O)[n-]cc(/C=N/O)c1Nc1ccccc1	ZINC000000287043	169597851	/nfs/dbraw/zinc/59/78/51/169597851.db2.gz	QUMBPFLGAYMJOY-LZYBPNLTSA-N	-1	0	254.249	1.798	50	30		CDEARM
CNC(=O)/C(=N\[O-])C(C)(C)c1ccc(OC)c(OC)c1	ZINC000071772844	390618953	/nfs/dbraw/zinc/61/89/53/390618953.db2.gz	AITIEYBZBFRZJH-FOWTUZBSSA-N	-1	0	280.324	1.558	50	30		CDEARM
CCC(CC)n1nc(C([O-])=C(C#N)C(=O)NC)cc1C	ZINC000101974666	397826337	/nfs/dbraw/zinc/82/63/37/397826337.db2.gz	RUPDDDVGMAGSGB-LLVKDONJSA-N	-1	0	276.340	1.621	50	30		CDEARM
COC[C@H](C)NC(=O)C(C#N)=C([O-])c1ccc(Cl)cc1	ZINC000103502899	397906309	/nfs/dbraw/zinc/90/63/09/397906309.db2.gz	UNWNJMCNLVDBHQ-CABZTGNLSA-N	-1	0	294.738	1.814	50	30		CDEARM
COC[C@H](C)NC(=O)C(C#N)=C([O-])c1ccc(OC)cc1	ZINC000103502922	397906972	/nfs/dbraw/zinc/90/69/72/397906972.db2.gz	RTUWBGKUSOGXPS-GXFFZTMASA-N	-1	0	290.319	1.169	50	30		CDEARM
Cc1nc(C([O-])=C(C#N)C(=O)NC(C)C)cs1	ZINC000103935276	397925154	/nfs/dbraw/zinc/92/51/54/397925154.db2.gz	BCSYELUGOBTAJQ-QMMMGPOBSA-N	-1	0	251.311	1.299	50	30		CDEARM
C=CCN1C(=O)[N-]C(=O)C(=CNc2ccc(F)cc2)C1=O	ZINC000005668214	170125772	/nfs/dbraw/zinc/12/57/72/170125772.db2.gz	CCPCNPIJDRUGNG-FLIBITNWSA-N	-1	0	289.266	1.386	50	30		CDEARM
N#CC1(C(=O)N2CCC(C(=O)[O-])CC2)CCCC1	ZINC000097035279	303139353	/nfs/dbraw/zinc/13/93/53/303139353.db2.gz	SVHRCCQEIBJUFO-UHFFFAOYSA-N	-1	0	250.298	1.394	50	30		CDEARM
N#CCc1cccc(C(=O)N2CC[C@@](F)(C(=O)[O-])C2)c1	ZINC000262692860	330027714	/nfs/dbraw/zinc/02/77/14/330027714.db2.gz	ALAHLKJOJORNSG-AWEZNQCLSA-N	-1	0	276.267	1.391	50	30		CDEARM
C#CCCC1(CCC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])N=N1	ZINC000952876450	910434457	/nfs/dbraw/zinc/43/44/57/910434457.db2.gz	QOBLRPSQDFAULJ-VIFPVBQESA-N	-1	0	299.277	1.663	50	30		CDEARM
NC(=NO)c1c[n-]n2c1nc(-c1ccccc1)cc2=O	ZINC000263620163	230402068	/nfs/dbraw/zinc/40/20/68/230402068.db2.gz	GJVGKIIUISMBNR-UHFFFAOYSA-N	-1	0	269.264	1.196	50	30		CDEARM
C=CCN(CC(=O)[O-])C(=O)c1cccc2cc[nH]c21	ZINC000092461785	180390150	/nfs/dbraw/zinc/39/01/50/180390150.db2.gz	QUZOBBGUZDWUFH-UHFFFAOYSA-N	-1	0	258.277	1.881	50	30		CDEARM
COc1ccc(C=Nn2c(=O)c(C)n[n-]c2=S)cc1	ZINC000000453235	355912643	/nfs/dbraw/zinc/91/26/43/355912643.db2.gz	JBOJLCRPMLDLJU-NTUHNPAUSA-N	-1	0	276.321	1.500	50	30		CDEARM
CCOC(=O)C(C#N)=N[N-]c1ccccc1[N+](=O)[O-]	ZINC000004293312	356026534	/nfs/dbraw/zinc/02/65/34/356026534.db2.gz	XVBIIFGQJLUPRR-NTEUORMPSA-N	-1	0	262.225	1.449	50	30		CDEARM
O=C(/C(=N/[O-])n1cncn1)c1ccccc1Cl	ZINC000100467723	356599148	/nfs/dbraw/zinc/59/91/48/356599148.db2.gz	HYBXEZCHRACDIY-UVTDQMKNSA-N	-1	0	250.645	1.450	50	30		CDEARM
COC(=O)C(C#N)=N[N-]c1cc([N+](=O)[O-])ccc1OC	ZINC000252462173	367470212	/nfs/dbraw/zinc/47/02/12/367470212.db2.gz	QKDTWEGKBWSMLI-UHFFFAOYSA-N	-1	0	278.224	1.068	50	30		CDEARM
Cc1nnc(C)n1N=Cc1ccc([O-])c([N+](=O)[O-])c1	ZINC000252599410	368361254	/nfs/dbraw/zinc/36/12/54/368361254.db2.gz	DINRATZYVADUBV-UHFFFAOYSA-N	-1	0	261.241	1.391	50	30		CDEARM
COCC[C@@]1(C(=O)[O-])CCCN(c2ncccc2C#N)C1	ZINC000091646134	135072742	/nfs/dbraw/zinc/07/27/42/135072742.db2.gz	BJZLDHHLHNEPBP-HNNXBMFYSA-N	-1	0	289.335	1.661	50	30		CDEARM
CC1(C)CC(=O)C([N+](=O)[O-])=C(NCCCC(=O)[O-])C1	ZINC000103821582	397915220	/nfs/dbraw/zinc/91/52/20/397915220.db2.gz	KEJCSELVMYYVCD-UHFFFAOYSA-N	-1	0	270.285	1.318	50	30		CDEARM
Cc1cc(C(C)(C)C)cc(CN=Nc2nnn[n-]2)c1O	ZINC000004761484	170013406	/nfs/dbraw/zinc/01/34/06/170013406.db2.gz	HYTWFKCNPWRXMM-VGOFMYFVSA-N	-1	0	274.328	1.957	50	30		CDEARM
N#CC1(C(=O)N[C@@H]2CC[C@@H](C(=O)[O-])C2)CCCC1	ZINC000097039448	303141041	/nfs/dbraw/zinc/14/10/41/303141041.db2.gz	NLWRPDSWIOGTQA-NXEZZACHSA-N	-1	0	250.298	1.440	50	30		CDEARM
O=C([O-])C#C[C@H]1CCCN(S(=O)(=O)c2cccs2)C1	ZINC000864092670	849885160	/nfs/dbraw/zinc/88/51/60/849885160.db2.gz	SQKYNGOKXGIUCG-SNVBAGLBSA-N	-1	0	299.373	1.237	50	30		CDEARM
C#CCCC1(CCC(=O)N2CC(=C)C[C@H]2C(=O)[O-])N=N1	ZINC000952876489	910434366	/nfs/dbraw/zinc/43/43/66/910434366.db2.gz	RYPQQQZBOCWILA-NSHDSACASA-N	-1	0	275.308	1.584	50	30		CDEARM
Cc1cc(C)nc(C(C#N)=C([O-])c2cc(C)[nH]c(=O)c2)n1	ZINC000096007973	185063914	/nfs/dbraw/zinc/06/39/14/185063914.db2.gz	NOXLKQZZYDAURZ-GFCCVEGCSA-N	-1	0	282.303	1.580	50	30		CDEARM
Cc1nn(CC(=O)[O-])c(C)c1NC(=O)c1ccc(C#N)nc1	ZINC000055326334	373786047	/nfs/dbraw/zinc/78/60/47/373786047.db2.gz	XGXUJUPCEIWFSF-UHFFFAOYSA-N	-1	0	299.290	1.104	50	30		CDEARM
Cn1nncc1/C=C\C(=O)c1ccc(OCC(=O)[O-])cc1	ZINC000606442971	375824415	/nfs/dbraw/zinc/82/44/15/375824415.db2.gz	GGJKUHBNMFNJNJ-DAXSKMNVSA-N	-1	0	287.275	1.175	50	30		CDEARM
Cc1ccc(C(=O)[O-])cc1NC(=O)C1(C#N)CCOCC1	ZINC000120243292	390866580	/nfs/dbraw/zinc/86/65/80/390866580.db2.gz	VYBIRTURPNDIEG-UHFFFAOYSA-N	-1	0	288.303	1.952	50	30		CDEARM
C/C(=N\c1cccc(F)c1)c1c([O-])n(C)c(=O)n(C)c1=O	ZINC000101161181	390838421	/nfs/dbraw/zinc/83/84/21/390838421.db2.gz	DGMGWHPQISSMIV-LZYBPNLTSA-N	-1	0	291.282	1.069	50	30		CDEARM
COC[C@@H](C)NC(=O)C(C#N)=C([O-])c1ccc(F)cc1	ZINC000103502891	397906221	/nfs/dbraw/zinc/90/62/21/397906221.db2.gz	UYIBPJAHDTZUKA-SKDRFNHKSA-N	-1	0	278.283	1.299	50	30		CDEARM
Cc1ccc(/C=N/N=C2/NC(=O)[C@@H](CC(=O)[O-])S2)cc1	ZINC000006426544	170200527	/nfs/dbraw/zinc/20/05/27/170200527.db2.gz	FPGYLUZSPUFZAQ-FBWGLTFQSA-N	-1	0	291.332	1.391	50	30		CDEARM
O=C1Nc2ccccc2C1=N[N-]c1ncccc1[N+](=O)[O-]	ZINC000008652595	170344047	/nfs/dbraw/zinc/34/40/47/170344047.db2.gz	PKLDOMBXKUBCHA-UHFFFAOYSA-N	-1	0	283.247	1.758	50	30		CDEARM
CCNC(=S)N=NCc1ccc([O-])c([N+](=O)[O-])c1	ZINC000036084712	260153189	/nfs/dbraw/zinc/15/31/89/260153189.db2.gz	MKIARQGJLAMQQJ-WUXMJOGZSA-N	-1	0	268.298	1.530	50	30		CDEARM
FC(F)(F)c1n[n-]c(=S)n1N=Cc1ccccn1	ZINC000006133646	279446865	/nfs/dbraw/zinc/44/68/65/279446865.db2.gz	URUQQJBHRCSEAM-LHHJGKSTSA-N	-1	0	273.243	1.863	50	30		CDEARM
N#CCCNc1c([N+](=O)[O-])cc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000006998495	303153898	/nfs/dbraw/zinc/15/38/98/303153898.db2.gz	CJNVYSHKZIGTTC-UHFFFAOYSA-N	-1	0	280.196	1.527	50	30		CDEARM
C=CCn1c2ccccc2n2nc(CCC(=O)[O-])c(=O)nc12	ZINC000000614859	709840015	/nfs/dbraw/zinc/84/00/15/709840015.db2.gz	VZILPFJOAZHQFW-UHFFFAOYSA-N	-1	0	298.302	1.247	50	30		CDEARM
C#CCCC1(CCC(=O)N2CC[C@](F)(C(=O)[O-])C2)N=N1	ZINC000952876115	910427940	/nfs/dbraw/zinc/42/79/40/910427940.db2.gz	AHQPTHHQHWVRNE-GFCCVEGCSA-N	-1	0	281.287	1.367	50	30		CDEARM
N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2C#N)cn1	ZINC000096493296	230383223	/nfs/dbraw/zinc/38/32/23/230383223.db2.gz	PDLLUIVVNFJCPG-UHFFFAOYSA-N	-1	0	284.300	1.626	50	30		CDEARM
CNC(=O)C(C#N)=C([O-])c1cnc(-c2cccs2)s1	ZINC000100752482	398138196	/nfs/dbraw/zinc/13/81/96/398138196.db2.gz	UVMCNZLAAAYVSM-ZETCQYMHSA-N	-1	0	291.357	1.940	50	30		CDEARM
N#Cc1ccc([N-]S(=O)(=O)c2ccccc2)cn1	ZINC000096316069	375082339	/nfs/dbraw/zinc/08/23/39/375082339.db2.gz	UYLNGVQILIUCKK-UHFFFAOYSA-N	-1	0	259.290	1.754	50	30		CDEARM
CC1(C)Oc2ccc3ccc(=O)oc3c2C(=N[O-])C1=O	ZINC000004020869	375846446	/nfs/dbraw/zinc/84/64/46/375846446.db2.gz	DSUNMPUXAFGTNW-UHFFFAOYSA-N	-1	0	273.244	1.711	50	30		CDEARM
COC(=O)c1cc([O-])c(Br)cc1C#N	ZINC000263624280	190070841	/nfs/dbraw/zinc/07/08/41/190070841.db2.gz	OYBQUQSXGIHQAH-UHFFFAOYSA-N	-1	0	256.055	1.813	50	30		CDEARM
COC(=O)C1=C(CCC(=O)[O-])C(=O)CCC1(C)C	ZINC000019909026	392707808	/nfs/dbraw/zinc/70/78/08/392707808.db2.gz	WMCVSEVRJSJRCV-UHFFFAOYSA-N	-1	0	254.282	1.710	50	30		CDEARM
COC[C@@H](C)NC(=O)C(C#N)=C([O-])c1ccc(C)c(C)c1	ZINC000103503011	397906745	/nfs/dbraw/zinc/90/67/45/397906745.db2.gz	LNMDYPVRKJNBOE-TZMCWYRMSA-N	-1	0	288.347	1.777	50	30		CDEARM
C=CCNc1nnc(Cc2ccc(OCC)cc2)c(=O)[n-]1	ZINC000005154552	170071482	/nfs/dbraw/zinc/07/14/82/170071482.db2.gz	RODXOYBAQYDJLZ-UHFFFAOYSA-N	-1	0	286.335	1.752	50	30		CDEARM
Cc1n[n-]c(NN=C2Cc3ccccc3C2)nc1=O	ZINC000008045019	170315806	/nfs/dbraw/zinc/31/58/06/170315806.db2.gz	BDOOBJVLMVMIHS-UHFFFAOYSA-N	-1	0	255.281	1.040	50	30		CDEARM
CC(=O)Nc1n[n-]c(S(=O)(=O)Cc2ccc(F)cc2)n1	ZINC000021356928	171303228	/nfs/dbraw/zinc/30/32/28/171303228.db2.gz	NJIIJTSMDVDMIK-UHFFFAOYSA-N	-1	0	298.299	1.526	50	30		CDEARM
C#CCCC1(CCC(=O)N2CC([C@@H](F)C(=O)[O-])C2)N=N1	ZINC000952876370	910431610	/nfs/dbraw/zinc/43/16/10/910431610.db2.gz	OGWFSWQEXBXYGD-LLVKDONJSA-N	-1	0	281.287	1.223	50	30		CDEARM
C#CCCC1(CCC(=O)NCc2ccoc2C(=O)[O-])N=N1	ZINC000952876512	910435974	/nfs/dbraw/zinc/43/59/74/910435974.db2.gz	UKCPLFLRPAFJJD-UHFFFAOYSA-N	-1	0	289.291	1.950	50	30		CDEARM
C#CCCC1(CCC(=O)N2C[C@H](OC)C[C@@H]2C(=O)[O-])N=N1	ZINC000952880306	910440535	/nfs/dbraw/zinc/44/05/35/910440535.db2.gz	AELQFPFMFMFNDU-GHMZBOCLSA-N	-1	0	293.323	1.043	50	30		CDEARM
Cc1ocnc1C([O-])=C(C#N)C(=O)NC1CCCCC1	ZINC000105756735	186070373	/nfs/dbraw/zinc/07/03/73/186070373.db2.gz	YDPNJWXXNLCQTD-LLVKDONJSA-N	-1	0	275.308	1.754	50	30		CDEARM
C=CCN(CC(=O)[O-])C(=O)c1cccc2[nH]ccc21	ZINC000092463507	180390464	/nfs/dbraw/zinc/39/04/64/180390464.db2.gz	FTBKTTAZBGHHCW-UHFFFAOYSA-N	-1	0	258.277	1.881	50	30		CDEARM
NC(=S)N/N=C1\CCCC[C@@H]1c1cc(C(=O)[O-])ccn1	ZINC000005241389	303353184	/nfs/dbraw/zinc/35/31/84/303353184.db2.gz	LKKBYTOGPYPPQI-RKMZRFOKSA-N	-1	0	292.364	1.627	50	30		CDEARM
NC(=O)N=S(=O)([O-])c1ccc2ccccc2c1	ZINC000000394112	355908571	/nfs/dbraw/zinc/90/85/71/355908571.db2.gz	RARUETBKDGBHCE-UHFFFAOYSA-N	-1	0	250.279	1.401	50	30		CDEARM
O=C1[N-]C(=S)NC(=O)C1=NNc1ccc(Cl)cc1	ZINC000006017153	356065648	/nfs/dbraw/zinc/06/56/48/356065648.db2.gz	YWXCHDXIYMJNQI-UHFFFAOYSA-N	-1	0	282.712	1.479	50	30		CDEARM
N/C(CS(=O)(=O)c1ccc(OC(F)(F)F)cc1)=N/O	ZINC000014808091	356397366	/nfs/dbraw/zinc/39/73/66/356397366.db2.gz	FBQYCIXPECWWMP-UHFFFAOYSA-N	-1	0	298.242	1.105	50	30		CDEARM
CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)Nc1n[nH]c(C(F)(F)F)n1	ZINC000072400634	357429915	/nfs/dbraw/zinc/42/99/15/357429915.db2.gz	JFDGTENKQSSIEO-DMTCNVIQSA-N	-1	0	292.217	1.768	50	30		CDEARM
CNC(=S)NN=Cc1c(C)[n-]n(-c2ccccc2)c1=O	ZINC000003156006	364878889	/nfs/dbraw/zinc/87/88/89/364878889.db2.gz	JSIYNIQMVMXGOY-OVCLIPMQSA-N	-1	0	289.364	1.314	50	30		CDEARM
N#CC(C(=O)N1CCSCC1)=C([O-])c1ccsc1	ZINC000102759085	373720384	/nfs/dbraw/zinc/72/03/84/373720384.db2.gz	NQJPVIVKIGCIFI-SNVBAGLBSA-N	-1	0	280.374	1.646	50	30		CDEARM
C=CCS(=O)(=O)[N-]C(=O)c1sc(C)nc1C	ZINC000089286987	376877479	/nfs/dbraw/zinc/87/74/79/376877479.db2.gz	BHNUVNHNXJYYEC-UHFFFAOYSA-N	-1	0	260.340	1.580	50	30		CDEARM
CC(=O)C1=C(O)C(=O)N(CC(=O)[O-])[C@H]1c1ccc(C)cc1	ZINC000004638164	390154896	/nfs/dbraw/zinc/15/48/96/390154896.db2.gz	RRYYQPHSPLNZJB-ZDUSSCGKSA-N	-1	0	289.287	1.364	50	30		CDEARM
N#CC(C(=O)NC1CC1)=C([O-])c1cc2c(s1)CCOC2	ZINC000103330210	397897328	/nfs/dbraw/zinc/89/73/28/397897328.db2.gz	ASORHFVPOVADGV-SNVBAGLBSA-N	-1	0	290.344	1.422	50	30		CDEARM
COC[C@H](C)NC(=O)C(C#N)=C([O-])c1ccc(F)cc1	ZINC000103502895	397906216	/nfs/dbraw/zinc/90/62/16/397906216.db2.gz	UYIBPJAHDTZUKA-JOYOIKCWSA-N	-1	0	278.283	1.299	50	30		CDEARM
COC[C@@H](C)NC(=O)C(C#N)=C([O-])c1ccc(C)c(F)c1	ZINC000103503045	397906736	/nfs/dbraw/zinc/90/67/36/397906736.db2.gz	UGSGIRKMTQEXLI-ZYHUDNBSSA-N	-1	0	292.310	1.608	50	30		CDEARM
COc1ccc(C(C)N=Nc2nnn[n-]2)cc1OC	ZINC000004737819	170008374	/nfs/dbraw/zinc/00/83/74/170008374.db2.gz	YZHVKSRBJXUFNV-GHXNOFRVSA-N	-1	0	262.273	1.053	50	30		CDEARM
C=CCNC(=O)c1ccccc1NC(=O)CCC(=O)[O-]	ZINC000006702156	170229861	/nfs/dbraw/zinc/22/98/61/170229861.db2.gz	ZEWLFPWNQQXLJT-UHFFFAOYSA-N	-1	0	276.292	1.406	50	30		CDEARM
CC[C@H](NC(=S)NCc1ccccc1)C(=O)[O-]	ZINC000008680750	170345020	/nfs/dbraw/zinc/34/50/20/170345020.db2.gz	OJMMRLKOPRWRDP-JTQLQIEISA-N	-1	0	252.339	1.925	50	30		CDEARM
N#Cc1c(=O)[n-]c([O-])c2c1CC[N@H+](C1CCCCC1)C2	ZINC000009331979	303174142	/nfs/dbraw/zinc/17/41/42/303174142.db2.gz	UNZQLMCCQZDINO-UHFFFAOYSA-N	-1	0	273.336	1.643	50	30		CDEARM
N#CC1(C(=O)Nc2cccc(CC(=O)[O-])c2)CCOCC1	ZINC000263193370	330048494	/nfs/dbraw/zinc/04/84/94/330048494.db2.gz	ZJEFIICYGGRATQ-UHFFFAOYSA-N	-1	0	288.303	1.573	50	30		CDEARM
Cc1ccsc1C=Nn1c(=O)c(C)n[n-]c1=S	ZINC000100275869	185710179	/nfs/dbraw/zinc/71/01/79/185710179.db2.gz	DFADTZPTAOULDP-VZUCSPMQSA-N	-1	0	266.351	1.861	50	30		CDEARM
O=C(Nc1cccnc1)/C(=N\[O-])C(=O)c1ccccc1	ZINC000003317431	355999754	/nfs/dbraw/zinc/99/97/54/355999754.db2.gz	YGTFPZMWQMOGLG-ATVHPVEESA-N	-1	0	269.260	1.733	50	30		CDEARM
O=c1cn[n-]c(N/N=C/c2ccccc2Br)n1	ZINC000003945114	356014184	/nfs/dbraw/zinc/01/41/84/356014184.db2.gz	BGWYGEWUSIZLHL-LFYBBSHMSA-N	-1	0	294.112	1.373	50	30		CDEARM
C=CCN1C(=O)[N-]C(=O)C(=C(C)NN2CCCCC2)C1=O	ZINC000017209645	363998265	/nfs/dbraw/zinc/99/82/65/363998265.db2.gz	HCWJMENMFLVXQV-ZHACJKMWSA-N	-1	0	292.339	1.356	50	30		CDEARM
N#Cc1nc(NC(=O)c2cc3c(s2)CCOC3)[n-]c1C#N	ZINC000103188166	373854615	/nfs/dbraw/zinc/85/46/15/373854615.db2.gz	ZOGRICLQOVSYBL-UHFFFAOYSA-N	-1	0	299.315	1.540	50	30		CDEARM
CCOC(=O)CS[C@](O)(C=N[O-])c1ccccc1	ZINC000252622900	374259511	/nfs/dbraw/zinc/25/95/11/374259511.db2.gz	OFGRYUTWUCPFDH-GFCCVEGCSA-N	-1	0	269.322	1.588	50	30		CDEARM
N#CCc1cccc(C(=O)N2CCC[C@@H]2CC(=O)[O-])c1	ZINC000262851447	390968674	/nfs/dbraw/zinc/96/86/74/390968674.db2.gz	DEGJDZQTKPIFRU-CYBMUJFWSA-N	-1	0	272.304	1.832	50	30		CDEARM
CCn1cc(C=C(C)c2nc(C)c(C#N)c(=O)[n-]2)cn1	ZINC000193613704	391907767	/nfs/dbraw/zinc/90/77/67/391907767.db2.gz	SYGYEZNEXUVMQE-WEVVVXLNSA-N	-1	0	269.308	1.727	50	30		CDEARM
CCOC([O-])=NC(=O)C(C#N)=NNc1cccc(Cl)c1	ZINC000005325813	170085739	/nfs/dbraw/zinc/08/57/39/170085739.db2.gz	SQHROYQWWZYWAP-YVLHZVERSA-N	-1	0	294.698	1.904	50	30		CDEARM
CCn1nccc1/C=C/C(=O)c1c([O-])cc(C)oc1=O	ZINC000020607124	171267128	/nfs/dbraw/zinc/26/71/28/171267128.db2.gz	PEXZMPCBIFQGOJ-SNAWJCMRSA-N	-1	0	274.276	1.766	50	30		CDEARM
Cc1nc(C(=O)N2CCC[C@H](C(=O)[O-])C2)ccc1C#N	ZINC000037436034	173206943	/nfs/dbraw/zinc/20/69/43/173206943.db2.gz	MDRZCKNZKUXZCE-NSHDSACASA-N	-1	0	273.292	1.199	50	30		CDEARM
CCn1ncc(C#N)c1[N-]S(=O)(=O)c1cccs1	ZINC000195573269	323572498	/nfs/dbraw/zinc/57/24/98/323572498.db2.gz	AMHVPYQDBGQVEP-UHFFFAOYSA-N	-1	0	282.350	1.637	50	30		CDEARM
CC(C)(C)OC(=O)N1CCC(C#CC(=O)[O-])CC1	ZINC000306929235	329536673	/nfs/dbraw/zinc/53/66/73/329536673.db2.gz	AWVSBQMCUYAMFN-UHFFFAOYSA-N	-1	0	253.298	1.722	50	30		CDEARM
O=C(NCCCn1ccnc1)/C(=N\[O-])c1ccccc1	ZINC000002248022	526287579	/nfs/dbraw/zinc/28/75/79/526287579.db2.gz	ZOJLADAFKNWIDT-LGMDPLHJSA-N	-1	0	272.308	1.268	50	30		CDEARM
C=C(Cl)CS(=O)(=O)[N-]C(=O)c1cccc(C#N)c1	ZINC000097138949	567905032	/nfs/dbraw/zinc/90/50/32/567905032.db2.gz	NDICGODOLWWRQC-UHFFFAOYSA-N	-1	0	284.724	1.945	50	30		CDEARM
C[S@](=O)(=NS(=O)(=O)[N-]C1(C#N)CC1)c1ccccc1	ZINC000585137872	1164218790	/nfs/dbraw/zinc/21/87/90/1164218790.db2.gz	XJUNAQOZGUVETB-GOSISDBHSA-N	-1	0	299.377	1.034	50	30		CDEARM
O=C([N-]S(=O)(=O)Cc1ccon1)[C@@H]1CC1(Cl)Cl	ZINC000096446459	230374736	/nfs/dbraw/zinc/37/47/36/230374736.db2.gz	KYRVEGSTEPLEIF-LURJTMIESA-N	-1	0	299.135	1.655	50	30		CDEARM
N#Cc1ccc(S(=O)(=O)[N-]c2ncccc2F)cn1	ZINC000096496305	230384090	/nfs/dbraw/zinc/38/40/90/230384090.db2.gz	YCFJRPFUGVGXNS-UHFFFAOYSA-N	-1	0	278.268	1.288	50	30		CDEARM
C#CC[C@@H](NC(=O)c1csc(C(C)(C)C)n1)C(=O)[O-]	ZINC000585134531	342215528	/nfs/dbraw/zinc/21/55/28/342215528.db2.gz	YINABLYQQBQAJN-MRVPVSSYSA-N	-1	0	280.349	1.647	50	30		CDEARM
N#CC1=C([O-])NC(N2CCc3ccccc32)=NC12CCCC2	ZINC000009344492	356226566	/nfs/dbraw/zinc/22/65/66/356226566.db2.gz	ZHBSBRAYPWZPJA-CYBMUJFWSA-N	-1	0	294.358	1.987	50	30		CDEARM
C=CCNC(=S)NCc1ccc(C(=O)[O-])cc1	ZINC000002779029	358501310	/nfs/dbraw/zinc/50/13/10/358501310.db2.gz	HJGBBYAWFBFFIK-UHFFFAOYSA-N	-1	0	250.323	1.535	50	30		CDEARM
COc1ccc(C=CC(=O)C2=C([O-])CCC2=O)cc1OC	ZINC000100319966	358826879	/nfs/dbraw/zinc/82/68/79/358826879.db2.gz	VCSHSUFPIRWGPS-HWKANZROSA-N	-1	0	288.299	1.834	50	30		CDEARM
CNC(=S)NN=Cc1cc([N+](=O)[O-])cc(OC)c1[O-]	ZINC000001968703	359760521	/nfs/dbraw/zinc/76/05/21/359760521.db2.gz	HTPATDHBCCHMAC-LFYBBSHMSA-N	-1	0	284.297	1.148	50	30		CDEARM
CS(=O)(=O)[N-]c1cc(Br)ccc1C#N	ZINC000186615932	364618014	/nfs/dbraw/zinc/61/80/14/364618014.db2.gz	SONSFLNXOYIDFB-UHFFFAOYSA-N	-1	0	275.127	1.692	50	30		CDEARM
C[C@@H](Oc1ccc(C=Nn2cnnc2)cc1)C(=O)[O-]	ZINC000252604623	368375427	/nfs/dbraw/zinc/37/54/27/368375427.db2.gz	GBFQAEKSUGXARA-SECBINFHSA-N	-1	0	260.253	1.012	50	30		CDEARM
CCOCC1(Cn2ccc3[nH]c(=O)c(C#N)cc3c2=O)CC1	ZINC000067772717	374429788	/nfs/dbraw/zinc/42/97/88/374429788.db2.gz	GOEYUOUAXPFKQZ-UHFFFAOYSA-N	-1	0	299.330	1.378	50	30		CDEARM
Cc1nc(C([O-])=C(C#N)C(=O)NC2CCCC2)cs1	ZINC000103935289	397925147	/nfs/dbraw/zinc/92/51/47/397925147.db2.gz	DCFLLKXBQMQMOO-JTQLQIEISA-N	-1	0	277.349	1.833	50	30		CDEARM
O=C1[N-]C(=O)C(=NNc2cccc(OC(F)F)c2)C(=O)N1	ZINC000006058047	170172858	/nfs/dbraw/zinc/17/28/58/170172858.db2.gz	FOOAQEDVECROFN-UHFFFAOYSA-N	-1	0	298.205	1.262	50	30		CDEARM
C=CC[C@@]1(C(=O)[O-])CCCN(C(=O)N2CCN(C)CC2)C1	ZINC000091486475	277884775	/nfs/dbraw/zinc/88/47/75/277884775.db2.gz	JKFIXMCLZJFGMB-OAHLLOKOSA-N	-1	0	295.383	1.097	50	30		CDEARM
CCOC(=O)C(C#N)=N[N-]c1ccsc1C(=O)OC	ZINC000000080397	528543448	/nfs/dbraw/zinc/54/34/48/528543448.db2.gz	KTXIUQWXBACQTE-RIYZIHGNSA-N	-1	0	281.293	1.389	50	30		CDEARM
C#CCCC1(CCC(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)N=N1	ZINC000952878979	910435543	/nfs/dbraw/zinc/43/55/43/910435543.db2.gz	LBXYEPOFEQXPFT-NEPJUHHUSA-N	-1	0	291.351	1.911	50	30		CDEARM
C#CCCC1(CCC(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)N=N1	ZINC000952878983	910435861	/nfs/dbraw/zinc/43/58/61/910435861.db2.gz	LBXYEPOFEQXPFT-RYUDHWBXSA-N	-1	0	291.351	1.911	50	30		CDEARM
C#CCCC1(CCC(=O)NCC2(C(=O)[O-])CC2)N=N1	ZINC000952880878	910443432	/nfs/dbraw/zinc/44/34/32/910443432.db2.gz	JYZFCUDAWTTYPS-UHFFFAOYSA-N	-1	0	263.297	1.323	50	30		CDEARM
CC[C@@H](CC#N)NC(=O)c1ncc(Br)cc1[O-]	ZINC000952883621	910453963	/nfs/dbraw/zinc/45/39/63/910453963.db2.gz	XYAWXZAEWUVZSD-QMMMGPOBSA-N	-1	0	298.140	1.972	50	30		CDEARM
CC1(C)CC(=O)C(=CNCCCC(=O)[O-])C(=O)C1	ZINC000100691076	185722894	/nfs/dbraw/zinc/72/28/94/185722894.db2.gz	ZFCHOFCFOBUHEV-UHFFFAOYSA-N	-1	0	253.298	1.283	50	30		CDEARM
COC(=O)/C(Cc1ccc(O)c(Br)c1)=N\[O-]	ZINC000081213592	358118594	/nfs/dbraw/zinc/11/85/94/358118594.db2.gz	AMXHNFGHJPBXSJ-WQLSENKSSA-N	-1	0	288.097	1.700	50	30		CDEARM
CCOC(=O)/C(=N/[O-])C(=O)c1c[nH]c2ccccc12	ZINC000100292000	358825853	/nfs/dbraw/zinc/82/58/53/358825853.db2.gz	DYYPKVSZQCTZGF-RVDMUPIBSA-N	-1	0	260.249	1.744	50	30		CDEARM
CC(C)(C)[C@@H](C#N)NC(=O)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000097052672	390664726	/nfs/dbraw/zinc/66/47/26/390664726.db2.gz	POEYAIBBDYYMDQ-LLVKDONJSA-N	-1	0	277.280	1.968	50	30		CDEARM
CCc1ccc(C([O-])=C(C#N)C(=O)N[C@H](C)COC)cc1	ZINC000103502999	397906750	/nfs/dbraw/zinc/90/67/50/397906750.db2.gz	UPMUDCIKBGBFNI-BXUZGUMPSA-N	-1	0	288.347	1.723	50	30		CDEARM
CCn1ncc(C=Nn2c(=S)[n-]nc2C(F)F)c1C	ZINC000008339644	170332202	/nfs/dbraw/zinc/33/22/02/170332202.db2.gz	AFTPITQMLIHTKB-LHHJGKSTSA-N	-1	0	286.311	1.911	50	30		CDEARM
CC(C)[C@@](C)(C#N)NC(=O)COc1ccc(C(=O)[O-])cc1	ZINC000013412689	170549026	/nfs/dbraw/zinc/54/90/26/170549026.db2.gz	PUMFGNWKHFUXST-OAHLLOKOSA-N	-1	0	290.319	1.818	50	30		CDEARM
CSCC[C@@H](NC=C1C(=O)CC(C)(C)CC1=O)C(=O)[O-]	ZINC000019338987	170775658	/nfs/dbraw/zinc/77/56/58/170775658.db2.gz	RSQPEUUFNJWCFZ-SNVBAGLBSA-N	-1	0	299.392	1.624	50	30	biogenic	CDEARM
CN1C(=O)CS/C1=N/c1ccc(C(=O)[O-])cc1	ZINC000008663886	289817060	/nfs/dbraw/zinc/81/70/60/289817060.db2.gz	CNLOWWANPPCFLQ-VAWYXSNFSA-N	-1	0	250.279	1.578	50	30		CDEARM
N#Cc1cc(C=O)c(Br)cc1C(=O)[O-]	ZINC000263624719	303180324	/nfs/dbraw/zinc/18/03/24/303180324.db2.gz	SXDXQQFEWMFLOM-UHFFFAOYSA-N	-1	0	254.039	1.831	50	30		CDEARM
C=C(C)C[C@@H](C)C(=O)N1CCOC[C@H]1CC(=O)[O-]	ZINC000263291593	330051705	/nfs/dbraw/zinc/05/17/05/330051705.db2.gz	LNLAVUQKFTTZBZ-GHMZBOCLSA-N	-1	0	255.314	1.291	50	30		CDEARM
C=CCC1C(=O)N=C(SCC(=O)NC(C)(C)C)N=C1[O-]	ZINC000000520041	519123081	/nfs/dbraw/zinc/12/30/81/519123081.db2.gz	ZOXVQRGWQLCRNC-UHFFFAOYSA-N	-1	0	297.380	1.211	50	30		CDEARM
C=CCN1C(=O)[N-]C(=O)/C(=C/c2ccc(F)cc2)C1=O	ZINC000012343682	682486914	/nfs/dbraw/zinc/48/69/14/682486914.db2.gz	AXIIQJKRSNNWEE-FLIBITNWSA-N	-1	0	274.251	1.474	50	30		CDEARM
C#CCCC1(CCC(=O)N[C@H]2CC=C(C(=O)[O-])C2)N=N1	ZINC000952876491	910434451	/nfs/dbraw/zinc/43/44/51/910434451.db2.gz	SDUBXVVRNVEZJD-NSHDSACASA-N	-1	0	275.308	1.632	50	30		CDEARM
CO[C@H](C)CS(=O)(=O)[N-]c1sc(C)cc1C#N	ZINC000585129647	931016660	/nfs/dbraw/zinc/01/66/60/931016660.db2.gz	QFASCYMESOGFMA-SSDOTTSWSA-N	-1	0	274.367	1.705	50	30		CDEARM
CCn1cc(C(=O)Nc2cc(C#N)ccc2[O-])cn1	ZINC000096450044	230375659	/nfs/dbraw/zinc/37/56/59/230375659.db2.gz	WYYJUWIZCSCDRL-UHFFFAOYSA-N	-1	0	256.265	1.733	50	30		CDEARM
N#Cc1ccc(S(=O)(=O)[N-]c2ncccn2)c(Cl)c1	ZINC000096005681	185062623	/nfs/dbraw/zinc/06/26/23/185062623.db2.gz	DZODKAWPAIBCEK-UHFFFAOYSA-N	-1	0	294.723	1.802	50	30		CDEARM
C[C@@](O)(CNc1c(Cl)cccc1C#N)C(=O)[O-]	ZINC000263565927	359021371	/nfs/dbraw/zinc/02/13/71/359021371.db2.gz	WBGSNCBTBFNTAZ-LLVKDONJSA-N	-1	0	254.673	1.459	50	30		CDEARM
Cc1nc(NC[C@@](C)(O)C(=O)[O-])c(Cl)cc1C#N	ZINC000263569956	359021488	/nfs/dbraw/zinc/02/14/88/359021488.db2.gz	ZUUKNJWDZFVSPL-LLVKDONJSA-N	-1	0	269.688	1.163	50	30		CDEARM
COc1cccc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)c1	ZINC000003582005	373278678	/nfs/dbraw/zinc/27/86/78/373278678.db2.gz	JINGKNVJQJWHKG-LFAOLKIESA-N	-1	0	286.283	1.923	50	30		CDEARM
COc1ccccc1CCn1cc(C#N)c(=O)[n-]c1=O	ZINC000000171136	169562514	/nfs/dbraw/zinc/56/25/14/169562514.db2.gz	SBRXOUSWRPKEPV-UHFFFAOYSA-N	-1	0	271.276	1.072	50	30		CDEARM
COCCCNC(=O)C(C#N)=C([O-])c1ccc(C)c(F)c1	ZINC000103502848	397906350	/nfs/dbraw/zinc/90/63/50/397906350.db2.gz	MCFNVZAULKDHCG-GFCCVEGCSA-N	-1	0	292.310	1.609	50	30		CDEARM
CCc1nc(SCC(=O)N[C@@H](C)CC)[n-]c(=O)c1C#N	ZINC000005238913	170078430	/nfs/dbraw/zinc/07/84/30/170078430.db2.gz	TUZANVKPVZDRDJ-QMMMGPOBSA-N	-1	0	294.380	1.211	50	30		CDEARM
Cc1cc(C)c(C(=O)C/C(=N/[O-])C(F)(F)F)c(=O)[nH]1	ZINC000006953378	170259064	/nfs/dbraw/zinc/25/90/64/170259064.db2.gz	XAYQIAJKLUSVJB-PXNMLYILSA-N	-1	0	276.214	1.957	50	30		CDEARM
N#CCc1cccc(C(=O)N2CCCC[C@H]2C(=O)[O-])c1	ZINC000195530678	303157406	/nfs/dbraw/zinc/15/74/06/303157406.db2.gz	GHWCSQGTBCUFGJ-ZDUSSCGKSA-N	-1	0	272.304	1.832	50	30		CDEARM
CCn1cc(Br)cc1C([O-])=C(C#N)C(=O)NC	ZINC000100705863	185722539	/nfs/dbraw/zinc/72/25/39/185722539.db2.gz	ZUKYJLHGRCTWQT-MRVPVSSYSA-N	-1	0	298.140	1.339	50	30		CDEARM
C=CCN(CC(=O)[O-])C(=O)c1cncc(Br)c1	ZINC000092463562	180390519	/nfs/dbraw/zinc/39/05/19/180390519.db2.gz	KPOHRUXADDVOLB-UHFFFAOYSA-N	-1	0	299.124	1.557	50	30		CDEARM
CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)Nc1n[nH]c(C(F)(F)F)n1	ZINC000072400633	357429669	/nfs/dbraw/zinc/42/96/69/357429669.db2.gz	JFDGTENKQSSIEO-IMJSIDKUSA-N	-1	0	292.217	1.768	50	30		CDEARM
CCOc1cc(CN=Nc2nnn[n-]2)cc(Cl)c1O	ZINC000101898573	364738629	/nfs/dbraw/zinc/73/86/29/364738629.db2.gz	GNYSTVLTTSFNCC-LFYBBSHMSA-N	-1	0	282.691	1.403	50	30		CDEARM
COc1ccc(OC)c(-c2ccc(C#N)c(=O)[n-]2)c1	ZINC000031814377	375835232	/nfs/dbraw/zinc/83/52/32/375835232.db2.gz	MZZBVRRLQDWDGB-UHFFFAOYSA-N	-1	0	256.261	1.931	50	30		CDEARM
CC(=O)C1=C(C)NC(=O)N[C@@H]1c1cccc([N+](=O)[O-])c1[O-]	ZINC000020234864	390231705	/nfs/dbraw/zinc/23/17/05/390231705.db2.gz	GRLYCEBEOKFKCX-LLVKDONJSA-N	-1	0	291.263	1.517	50	30		CDEARM
Cc1nc(CC(C)C)c(O)c2c1S(=O)(=O)C=C2[O-]	ZINC000409415669	390974348	/nfs/dbraw/zinc/97/43/48/390974348.db2.gz	WKHRRAGIRFGSCT-UHFFFAOYSA-N	-1	0	269.322	1.528	50	30		CDEARM
CC1N=NC(=S)N1N=Cc1ccc(C(=O)[O-])cc1	ZINC000005410250	391515300	/nfs/dbraw/zinc/51/53/00/391515300.db2.gz	NLEAWIJJXXLFPJ-WUXMJOGZSA-N	-1	0	262.294	1.456	50	30		CDEARM
CNC(=O)C(C#N)=C([O-])c1c(Cl)c2ccccc2n1C	ZINC000103508219	397906906	/nfs/dbraw/zinc/90/69/06/397906906.db2.gz	IYMDTSRHLYCVFX-SECBINFHSA-N	-1	0	289.722	1.900	50	30		CDEARM
O=C([O-])C[C@@H]1S/C(=N/N=C/[C@H]2CC=CCC2)NC1=O	ZINC000004844760	170029500	/nfs/dbraw/zinc/02/95/00/170029500.db2.gz	LCXSJKUTAYWTNE-KWMFLURBSA-N	-1	0	281.337	1.391	50	30		CDEARM
COc1ccc(C(=O)/C(Cl)=C/C(=O)NCC(=O)[O-])cc1	ZINC000005670373	170126091	/nfs/dbraw/zinc/12/60/91/170126091.db2.gz	NROLUSHLOZCFLZ-POHAHGRESA-N	-1	0	297.694	1.201	50	30		CDEARM
C=CCn1c(=O)[nH]c([O-])c(C(=O)CCCCCC)c1=O	ZINC000006499000	170207395	/nfs/dbraw/zinc/20/73/95/170207395.db2.gz	LDJJIVRJQPUXJG-UHFFFAOYSA-N	-1	0	280.324	1.581	50	30		CDEARM
N#Cc1cccc(C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])c1	ZINC000022238842	171381205	/nfs/dbraw/zinc/38/12/05/171381205.db2.gz	LITMHEOCSZNWFX-OAHLLOKOSA-N	-1	0	294.310	1.984	50	30		CDEARM
N#Cc1cc(C=O)cc(Br)c1C(=O)[O-]	ZINC000263624953	303180542	/nfs/dbraw/zinc/18/05/42/303180542.db2.gz	VMSFNJMPIKTXJC-UHFFFAOYSA-N	-1	0	254.039	1.831	50	30		CDEARM
C=CCOc1cccnc1C(=O)N(C)[C@@H](C)C(=O)[O-]	ZINC000263574799	330059599	/nfs/dbraw/zinc/05/95/99/330059599.db2.gz	NZMIZZBIVMJTCL-VIFPVBQESA-N	-1	0	264.281	1.192	50	30		CDEARM
CNC(=O)C(C#N)=C([O-])c1cc(C)c(OC(F)F)c(C)c1	ZINC000101017720	723691277	/nfs/dbraw/zinc/69/12/77/723691277.db2.gz	OTVBERQBAXNXRJ-SNVBAGLBSA-N	-1	0	296.273	1.973	50	30		CDEARM
CCOC(=O)c1n[n-]n(N=Cc2ccc(Cl)cc2)c1=O	ZINC000033429154	359669213	/nfs/dbraw/zinc/66/92/13/359669213.db2.gz	RZSVMABNJUEUDE-AUWJEWJLSA-N	-1	0	294.698	1.696	50	30		CDEARM
Cc1ccccc1S(=O)(=O)c1cc(C#N)c(=O)[n-]c1N	ZINC000004002837	368658825	/nfs/dbraw/zinc/65/88/25/368658825.db2.gz	UITMPIQXGAWZLU-UHFFFAOYSA-N	-1	0	289.316	1.382	50	30		CDEARM
O=C([O-])C[C@@H]1SC(=NN=Cc2ccccc2F)NC1=O	ZINC000252626631	369400801	/nfs/dbraw/zinc/40/08/01/369400801.db2.gz	RCISXQNALFJNMZ-VIFPVBQESA-N	-1	0	295.295	1.222	50	30		CDEARM
O=C(CCc1ccco1)[N-]S(=O)(=O)Cc1ccon1	ZINC000096446461	375101531	/nfs/dbraw/zinc/10/15/31/375101531.db2.gz	SFKLFTPJABHVNJ-UHFFFAOYSA-N	-1	0	284.293	1.687	50	30		CDEARM
N#Cc1ccc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])cc1	ZINC000030840439	375679315	/nfs/dbraw/zinc/67/93/15/375679315.db2.gz	LXTQMGBYAFHPFA-WAYWQWQTSA-N	-1	0	284.231	1.013	50	30		CDEARM
O=C([O-])c1ccc(/C=C2/S/C(=N/O)NC2=O)cc1	ZINC000004949392	304231823	/nfs/dbraw/zinc/23/18/23/304231823.db2.gz	SETALDXQAXSUPF-VMPITWQZSA-N	-1	0	264.262	1.334	50	30		CDEARM
O=C([O-])c1ccccc1NN=C1C(=O)CCCC1=O	ZINC000000087704	304270588	/nfs/dbraw/zinc/27/05/88/304270588.db2.gz	YTUWSKHSOUIJHG-UHFFFAOYSA-N	-1	0	260.249	1.475	50	30		CDEARM
COC(=O)c1c(Br)c(C)[n-]c(=O)c1C#N	ZINC000098209875	390657827	/nfs/dbraw/zinc/65/78/27/390657827.db2.gz	JSBFNCAMSYZJDT-UHFFFAOYSA-N	-1	0	271.070	1.104	50	30		CDEARM
CNC(=O)C(C#N)=C([O-])c1ccc(-n2cccc2)c(F)c1	ZINC000100830504	397743826	/nfs/dbraw/zinc/74/38/26/397743826.db2.gz	TVHJXTYUPGPPNC-NSHDSACASA-N	-1	0	285.278	1.685	50	30		CDEARM
N#CC(C(=O)NC1CC1)=C([O-])c1ccn(-c2ccccc2)n1	ZINC000102389312	397850494	/nfs/dbraw/zinc/85/04/94/397850494.db2.gz	GANZOUBOUCYFDN-CYBMUJFWSA-N	-1	0	294.314	1.473	50	30		CDEARM
N#Cc1cc(S(=O)(=O)[N-]c2cnccn2)ccc1Cl	ZINC000097095327	397958213	/nfs/dbraw/zinc/95/82/13/397958213.db2.gz	QOOZJJLMPOXSKE-UHFFFAOYSA-N	-1	0	294.723	1.802	50	30		CDEARM
Cc1ccc(/C=N/N=C2\NC(=O)[C@@H](CC(=O)[O-])S2)s1	ZINC000009109507	170363433	/nfs/dbraw/zinc/36/34/33/170363433.db2.gz	FBENZQSCNHOSSL-HRRMIQFSSA-N	-1	0	297.361	1.453	50	30		CDEARM
C=C(C)C[C@@H](C)C(=O)N1CCOC[C@@H]1CC(=O)[O-]	ZINC000263291594	330051732	/nfs/dbraw/zinc/05/17/32/330051732.db2.gz	LNLAVUQKFTTZBZ-MNOVXSKESA-N	-1	0	255.314	1.291	50	30		CDEARM
C=CCc1cc(C(=O)NCc2n[nH]c(=O)[n-]2)ccc1OC	ZINC000670471491	483076279	/nfs/dbraw/zinc/07/62/79/483076279.db2.gz	DTEGYKAOYVJLFX-UHFFFAOYSA-N	-1	0	288.307	1.177	50	30		CDEARM
C#CCCC1(CCC(=O)N2CCO[C@](C)(C(=O)[O-])C2)N=N1	ZINC000952876264	910431594	/nfs/dbraw/zinc/43/15/94/910431594.db2.gz	JANXZVXYXWXKRA-ZDUSSCGKSA-N	-1	0	293.323	1.044	50	30		CDEARM
C#CCCC1(CCC(=O)NC2(CC(=O)[O-])CC2)N=N1	ZINC000952876282	910431756	/nfs/dbraw/zinc/43/17/56/910431756.db2.gz	KGNJTKAZKFKVBQ-UHFFFAOYSA-N	-1	0	263.297	1.466	50	30		CDEARM
CO[C@@H](C)CS(=O)(=O)[N-]c1sc(C)cc1C#N	ZINC000585129648	931015535	/nfs/dbraw/zinc/01/55/35/931015535.db2.gz	QFASCYMESOGFMA-ZETCQYMHSA-N	-1	0	274.367	1.705	50	30		CDEARM
O=C(CCCN1C(=O)c2cccc3cccc(c32)C1=O)NO	ZINC000003872971	356011956	/nfs/dbraw/zinc/01/19/56/356011956.db2.gz	GBPSCCPAXYTNMB-UHFFFAOYSA-N	-1	0	298.298	1.721	50	30	in-vitro	CDEARM
CCOC(=O)C(C)=N[N-]c1ncnc2ccccc21	ZINC000004536836	356390556	/nfs/dbraw/zinc/39/05/56/356390556.db2.gz	OXNOOEPKEWTXGF-CXUHLZMHSA-N	-1	0	258.281	1.981	50	30		CDEARM
C=C(C)C(=O)OCC(C)(C)[N-]S(=O)(=O)C(F)(F)F	ZINC000114567652	364995854	/nfs/dbraw/zinc/99/58/54/364995854.db2.gz	HQWREDMBXIRTBO-UHFFFAOYSA-N	-1	0	289.275	1.324	50	30		CDEARM
CCn1cc(S(=O)(=O)[N-]c2ccc(F)cc2C#N)cn1	ZINC000095466319	374961386	/nfs/dbraw/zinc/96/13/86/374961386.db2.gz	PAZBQOOLWWIVEX-UHFFFAOYSA-N	-1	0	294.311	1.715	50	30		CDEARM
C=CCN(CC=C)C(=O)c1ccccc1NCC(=O)[O-]	ZINC000065374456	378508003	/nfs/dbraw/zinc/50/80/03/378508003.db2.gz	XLBDUEDEHNKOLQ-UHFFFAOYSA-N	-1	0	274.320	1.997	50	30		CDEARM
COCCS(=O)(=O)[N-]C(=O)CCSCC(C)C	ZINC000084575060	483294287	/nfs/dbraw/zinc/29/42/87/483294287.db2.gz	PCJWHZAXQOKZHJ-UHFFFAOYSA-N	-1	0	283.415	1.698	50	30		CDEARM
CNC(=O)C(C#N)=C([O-])c1cc(C)n(-c2ccc(C)cc2)n1	ZINC000101989290	397827295	/nfs/dbraw/zinc/82/72/95/397827295.db2.gz	JBRZHKUSGRNMGN-CYBMUJFWSA-N	-1	0	296.330	1.558	50	30		CDEARM
C=CCOc1ccc(N2C[C@@H](C(=O)[O-])CC2=O)cc1	ZINC000003612728	169902274	/nfs/dbraw/zinc/90/22/74/169902274.db2.gz	FDXBEBXCEWTJAV-JTQLQIEISA-N	-1	0	261.277	1.689	50	30		CDEARM
O=C(CN1C(=O)/C(=N/[O-])c2ccccc21)Nc1ccccc1	ZINC000005731457	170134827	/nfs/dbraw/zinc/13/48/27/170134827.db2.gz	ZBQLBUVRWZPHJN-OBGWFSINSA-N	-1	0	295.298	1.850	50	30		CDEARM
N#Cc1cnc([N-]c2nc3ccccc3o2)nc1N	ZINC000009009606	170361502	/nfs/dbraw/zinc/36/15/02/170361502.db2.gz	SPJRGKIIIDSETF-UHFFFAOYSA-N	-1	0	252.237	1.815	50	30		CDEARM
O=S(=O)([O-])OCC/N=C/c1c(O)ccc2ccccc21	ZINC000020436303	171202140	/nfs/dbraw/zinc/20/21/40/171202140.db2.gz	KKYYUIXGHKIBID-NTEUORMPSA-N	-1	0	295.316	1.784	50	30		CDEARM
N#Cc1nc(NC(=O)c2ccc3c(c2)OCO3)[n-]c1C#N	ZINC000026273480	171477348	/nfs/dbraw/zinc/47/73/48/171477348.db2.gz	SLIJLCMYRBHEEN-UHFFFAOYSA-N	-1	0	281.231	1.134	50	30		CDEARM
O=C([O-])CCCNC1=C(Cl)C(=O)c2ccccc2C1=O	ZINC000020100953	326859480	/nfs/dbraw/zinc/85/94/80/326859480.db2.gz	OPTDAYWBFJRIGB-UHFFFAOYSA-N	-1	0	293.706	1.970	50	30		CDEARM
N#CC(C#N)=N[N-]c1cc2c(cc1[N+](=O)[O-])OCO2	ZINC000022204035	726894683	/nfs/dbraw/zinc/89/46/83/726894683.db2.gz	VQPKERZAHIAABE-UHFFFAOYSA-N	-1	0	259.181	1.139	50	30		CDEARM
Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1ccc(F)cc1C#N	ZINC000124590039	187144829	/nfs/dbraw/zinc/14/48/29/187144829.db2.gz	VQTLMGYAAFLCEZ-UHFFFAOYSA-N	-1	0	294.311	1.838	50	30		CDEARM
CCOC([O-])=NC(=O)C(C#N)=NNc1ccc(F)cc1	ZINC000003105075	355994371	/nfs/dbraw/zinc/99/43/71/355994371.db2.gz	JIIDPSPQDAXAGC-LICLKQGHSA-N	-1	0	278.243	1.390	50	30		CDEARM
COc1cccc(C(C)=NNc2[nH]c(=O)nnc2C)c1	ZINC000004370199	356324075	/nfs/dbraw/zinc/32/40/75/356324075.db2.gz	FRFIJUPTMJOMBB-OVCLIPMQSA-N	-1	0	273.296	1.318	50	30		CDEARM
CC(C)c1ccc(S(=O)(=O)[N-]C(=O)[C@H](C)O)cc1	ZINC000000236735	356813559	/nfs/dbraw/zinc/81/35/59/356813559.db2.gz	FXYOVOUVWCCSAH-VIFPVBQESA-N	-1	0	271.338	1.836	50	30		CDEARM
CC(C)(C)OC(=O)N1CCC[C@@H](C#CC(=O)[O-])C1	ZINC000307494992	357668191	/nfs/dbraw/zinc/66/81/91/357668191.db2.gz	IAUQBQSYFPWKDG-JTQLQIEISA-N	-1	0	253.298	1.722	50	30		CDEARM
CC1(C)[C@@]2(C)CC[C@]1(C(=O)[O-])c1nc(C#N)c(C#N)nc12	ZINC000000353096	359237545	/nfs/dbraw/zinc/23/75/45/359237545.db2.gz	JXHJMPFFKUCDFI-LSDHHAIUSA-N	-1	0	282.303	1.634	50	30		CDEARM
CCCSC(=S)[N-][C@@H]1CCS(=O)(=O)C1	ZINC000334158947	370282068	/nfs/dbraw/zinc/28/20/68/370282068.db2.gz	HTQWUDQXXCRGDP-SSDOTTSWSA-P	-1	0	254.422	1.749	50	30		CDEARM
C=CCNC(=O)c1c([O-])c2cccc3c2n(c1=O)CCC3	ZINC000002317466	373755153	/nfs/dbraw/zinc/75/51/53/373755153.db2.gz	BGMORHQZHNWFBS-UHFFFAOYSA-N	-1	0	284.315	1.569	50	30		CDEARM
Cc1c[nH]c(CN(C)[C@@H](C(=O)[O-])c2ccc(C#N)cc2)n1	ZINC000095384085	374895384	/nfs/dbraw/zinc/89/53/84/374895384.db2.gz	JOGYKPCOSSPHFD-CQSZACIVSA-N	-1	0	284.319	1.848	50	30		CDEARM
N#CCC[C@H](NC(=O)OCc1ccccc1)C(=O)[O-]	ZINC000002509857	375093594	/nfs/dbraw/zinc/09/35/94/375093594.db2.gz	XGZHTZSSDTXKME-NSHDSACASA-N	-1	0	262.265	1.670	50	30		CDEARM
N#Cc1cc(C=O)c(C(=O)[O-])cc1Br	ZINC000263623783	190070726	/nfs/dbraw/zinc/07/07/26/190070726.db2.gz	KREUEESORAYTPN-UHFFFAOYSA-N	-1	0	254.039	1.831	50	30		CDEARM
C=CCNc1nc(=O)c(Cc2ccc(OC)cc2)n[n-]1	ZINC000005154549	170071332	/nfs/dbraw/zinc/07/13/32/170071332.db2.gz	XXKRSGWWFHCHLE-UHFFFAOYSA-N	-1	0	272.308	1.362	50	30		CDEARM
COc1ccc(-n2c([O-])c(C#N)c(C)cc2=O)cc1	ZINC000006189176	170181767	/nfs/dbraw/zinc/18/17/67/170181767.db2.gz	CSKBBJHCMFUAKJ-UHFFFAOYSA-N	-1	0	256.261	1.732	50	30		CDEARM
O=C([O-])COc1ccc(Br)cc1/C=N/O	ZINC000020166683	171040554	/nfs/dbraw/zinc/04/05/54/171040554.db2.gz	KQGJMMVLCDHRAB-NYYWCZLTSA-N	-1	0	274.070	1.721	50	30		CDEARM
Cn1cc(/C=C/C(=O)c2cccc(OCC(=O)[O-])c2)cn1	ZINC000021957600	171341681	/nfs/dbraw/zinc/34/16/81/171341681.db2.gz	WMWNNMJXASMVQZ-AATRIKPKSA-N	-1	0	286.287	1.780	50	30		CDEARM
C=C(CS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)[O-]	ZINC000035323623	172126442	/nfs/dbraw/zinc/12/64/42/172126442.db2.gz	CCYJFQSVKIIMRT-UHFFFAOYSA-N	-1	0	271.250	1.009	50	30		CDEARM
CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)Nc1cccc(C#N)c1	ZINC000071279263	176108351	/nfs/dbraw/zinc/10/83/51/176108351.db2.gz	HIFMIVYBNMSUFQ-QWRGUYRKSA-N	-1	0	258.277	1.854	50	30		CDEARM
COc1ccc(C=CC([O-])=C2C(=O)COC2=O)cc1	ZINC000100761062	295052500	/nfs/dbraw/zinc/05/25/00/295052500.db2.gz	GOXNWQRWCMETCV-WXJAXGNASA-N	-1	0	260.245	1.020	50	30	biogenic	CDEARM
CCOC(=O)C(=O)[N-]S(=O)(=O)Cc1ccccc1	ZINC000071778631	567902286	/nfs/dbraw/zinc/90/22/86/567902286.db2.gz	QHTWDLJBDXHLAA-UHFFFAOYSA-N	-1	0	271.294	1.036	50	30		CDEARM
O=c1[n-]c(=O)c(NN=Cc2c(O)ccc3ccccc32)n[nH]1	ZINC000004947028	729935401	/nfs/dbraw/zinc/93/54/01/729935401.db2.gz	GIHFBJIMYQAIKK-VIZOYTHASA-N	-1	0	297.274	1.175	50	30		CDEARM
CCCN(C)S(=O)(=O)[N-]C(=O)c1cccn1C(C)C	ZINC000097031999	185155342	/nfs/dbraw/zinc/15/53/42/185155342.db2.gz	MUXGAEFDWKHQQV-UHFFFAOYSA-N	-1	0	287.385	1.960	50	30		CDEARM
C=CCOC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)[O-]	ZINC000002564707	362005099	/nfs/dbraw/zinc/00/50/99/362005099.db2.gz	WZMNSEVEWIDHND-QMMMGPOBSA-N	-1	0	273.285	1.084	50	30		CDEARM
CCCCNC(=O)N=S(=O)([O-])c1ccc(N)cc1	ZINC000001764156	355951663	/nfs/dbraw/zinc/95/16/63/355951663.db2.gz	VDTNNGKXZGSZIP-UHFFFAOYSA-N	-1	0	271.342	1.261	50	30	in-man	CDEARM
CCOc1ccc(/C=N/Nc2nc(=O)c(C)n[n-]2)cc1	ZINC000015015601	356404400	/nfs/dbraw/zinc/40/44/00/356404400.db2.gz	GGXHHXQOQRXCOA-RIYZIHGNSA-N	-1	0	273.296	1.318	50	30		CDEARM
Cc1ccc(-n2nc(C(=O)[O-])c(C)c(C#N)c2=O)cc1	ZINC000000796947	359059202	/nfs/dbraw/zinc/05/92/02/359059202.db2.gz	WUOVOAAHOCKBSS-UHFFFAOYSA-N	-1	0	269.260	1.419	50	30		CDEARM
CCOC(=O)c1n[n-]n(N=Cc2ccc(C)cc2)c1=O	ZINC000033429152	359669679	/nfs/dbraw/zinc/66/96/79/359669679.db2.gz	WTTNAJHLTKUHOC-ZSOIEALJSA-N	-1	0	274.280	1.351	50	30		CDEARM
CC(=Cc1cn(C(C)(C)C)nn1)c1nc(C)c(C#N)c(=O)[n-]1	ZINC000193611962	189647346	/nfs/dbraw/zinc/64/73/46/189647346.db2.gz	GUYVXCNDTOZBGO-TWGQIWQCSA-N	-1	0	298.350	1.857	50	30		CDEARM
COc1ccc(NC(=O)C(=N[O-])C(C)=NO)cc1	ZINC000252608288	368436296	/nfs/dbraw/zinc/43/62/96/368436296.db2.gz	HIDUOVKZBFLLQN-UHFFFAOYSA-N	-1	0	251.242	1.314	50	30		CDEARM
CC(C)CCOc1ccc(C=NN2CC(=O)NC2=O)cc1	ZINC000254615149	375245214	/nfs/dbraw/zinc/24/52/14/375245214.db2.gz	WCHMEJXVHKQNJV-UHFFFAOYSA-N	-1	0	289.335	1.997	50	30		CDEARM
COC[C@H](C)NC(=O)C(C#N)=C([O-])c1ccc(C)c(C)c1	ZINC000103503008	397906875	/nfs/dbraw/zinc/90/68/75/397906875.db2.gz	LNMDYPVRKJNBOE-JSGCOSHPSA-N	-1	0	288.347	1.777	50	30		CDEARM
N#Cc1ccnc([N-]S(=O)(=O)c2ccccc2F)c1	ZINC000195578597	323572487	/nfs/dbraw/zinc/57/24/87/323572487.db2.gz	SAOXALPSSFGSAN-UHFFFAOYSA-N	-1	0	277.280	1.893	50	30		CDEARM
CCn1cc(S(=O)(=O)[N-]C(=O)C(C)(C)C)cn1	ZINC000096453133	230376548	/nfs/dbraw/zinc/37/65/48/230376548.db2.gz	NTBJMZCPWZTPNA-UHFFFAOYSA-N	-1	0	259.331	1.594	50	30		CDEARM
C=C(C)CN(C)C(=O)c1ccc([N+](=O)[O-])cc1[O-]	ZINC000119057720	342143434	/nfs/dbraw/zinc/14/34/34/342143434.db2.gz	HMESLBSATPCBCM-UHFFFAOYSA-N	-1	0	250.254	1.949	50	30		CDEARM
C=CCN(CC(=O)[O-])C(=O)c1ccc2ccccc2n1	ZINC000092462937	180390544	/nfs/dbraw/zinc/39/05/44/180390544.db2.gz	OEVBHUBRPNHKCT-UHFFFAOYSA-N	-1	0	270.288	1.948	50	30		CDEARM
C=CCNC(=S)N=NCc1ccc(C(=O)[O-])cc1	ZINC000012363495	356294813	/nfs/dbraw/zinc/29/48/13/356294813.db2.gz	VQMZQWICFVZKMK-ZSOIEALJSA-N	-1	0	263.322	1.780	50	30		CDEARM
CNC(=O)C(C#N)=C([O-])c1nn(CC(C)C)cc1C(F)F	ZINC000101857139	538894337	/nfs/dbraw/zinc/89/43/37/538894337.db2.gz	LLCRVSOBBGMDPT-MRVPVSSYSA-N	-1	0	298.293	1.545	50	30		CDEARM
N#Cc1cn(Cc2cccc(Cl)c2)c(=O)[n-]c1=O	ZINC000000171135	358248402	/nfs/dbraw/zinc/24/84/02/358248402.db2.gz	UYEFXNGKYQXYMK-UHFFFAOYSA-N	-1	0	261.668	1.110	50	30		CDEARM
C=CCN1C(=O)[N-]C(=O)C(=C(C)NCCCCCC)C1=O	ZINC000020331814	171151783	/nfs/dbraw/zinc/15/17/83/171151783.db2.gz	KGDNRMNGDJKQDD-VAWYXSNFSA-N	-1	0	293.367	1.695	50	30		CDEARM
CC[C@@]1(C)NC(=O)N(N=Cc2ccccc2C(=O)[O-])C1=O	ZINC000254702994	735194344	/nfs/dbraw/zinc/19/43/44/735194344.db2.gz	JZYRZIYTLIAGAB-CQSZACIVSA-N	-1	0	289.291	1.439	50	30		CDEARM
C#CCCC1(CCC(=O)N2CC[C@@](F)(C(=O)[O-])C2)N=N1	ZINC000952876116	910427237	/nfs/dbraw/zinc/42/72/37/910427237.db2.gz	AHQPTHHQHWVRNE-LBPRGKRZSA-N	-1	0	281.287	1.367	50	30		CDEARM
CCOC(=O)C(N=Nc1cc([N+](=O)[O-])ccc1[O-])C(C)=O	ZINC000252462307	361839076	/nfs/dbraw/zinc/83/90/76/361839076.db2.gz	RJLRQNFNIAEBAY-UHFFFAOYSA-N	-1	0	295.251	1.220	50	30		CDEARM
N#Cc1ccc(I)cc1C(=O)[O-]	ZINC000091301338	303192293	/nfs/dbraw/zinc/19/22/93/303192293.db2.gz	GURKJLQOEBNLCE-UHFFFAOYSA-N	-1	0	273.029	1.861	50	30		CDEARM
Cc1c(C=Cc2ccc3c(c2)OCCO3)n[n-]c(=O)c1C#N	ZINC000014247088	366139826	/nfs/dbraw/zinc/13/98/26/366139826.db2.gz	QPGRDOYNPURBMT-DUXPYHPUSA-N	-1	0	295.298	1.892	50	30		CDEARM
CC(C)(C)C(=O)c1no[n+]([O-])c1/C(=N/[O-])C(C)(C)C	ZINC000013758255	356356943	/nfs/dbraw/zinc/35/69/43/356356943.db2.gz	VAXDKXBRJKIMBJ-LCYFTJDESA-N	-1	0	269.301	1.761	50	30		CDEARM
N#Cc1c(Br)cccc1OCC(=O)[O-]	ZINC000165182385	356388475	/nfs/dbraw/zinc/38/84/75/356388475.db2.gz	SPZXSUQIYJRDAO-UHFFFAOYSA-N	-1	0	256.055	1.784	50	30		CDEARM
C=CCNC(=O)c1c([O-])c2ccccc2n(CCC#N)c1=O	ZINC000170624739	364445545	/nfs/dbraw/zinc/44/55/45/364445545.db2.gz	XMXHDVTXVUKMOL-UHFFFAOYSA-N	-1	0	297.314	1.537	50	30		CDEARM
COC[C@H](C)NC(=O)C(C#N)=C([O-])c1ccccc1	ZINC000103502926	397906690	/nfs/dbraw/zinc/90/66/90/397906690.db2.gz	WISXCADVAANQER-JQWIXIFHSA-N	-1	0	260.293	1.160	50	30		CDEARM
Cc1cccc(-n2nc(C(=O)[O-])c(C)c(C#N)c2=O)c1	ZINC000009095678	170363405	/nfs/dbraw/zinc/36/34/05/170363405.db2.gz	OJLKANDBNMLGAH-UHFFFAOYSA-N	-1	0	269.260	1.419	50	30		CDEARM
O=C(C=CNCc1ccccc1)C1=C([O-])CCCC1=O	ZINC000100435845	261185175	/nfs/dbraw/zinc/18/51/75/261185175.db2.gz	RBDXNTWPOBOMHX-KTKRTIGZSA-N	-1	0	271.316	1.797	50	30		CDEARM
CCCN(C)S(=O)(=O)[N-]C(=O)CCOCC(C)C	ZINC000084750257	483323248	/nfs/dbraw/zinc/32/32/48/483323248.db2.gz	JEIADFXTLNNMAG-UHFFFAOYSA-N	-1	0	280.390	1.592	50	30		CDEARM
C=CC[C@@H]1CC=C[C@@H](C)N1C(=O)Cn1[n-]c(=O)ccc1=O	ZINC000067434105	519107440	/nfs/dbraw/zinc/10/74/40/519107440.db2.gz	KXEWHOVYPHKTSN-VXGBXAGGSA-N	-1	0	289.335	1.071	50	30		CDEARM
CCOC(=O)C(Cl)=NNc1ccc(C(=O)[O-])cc1	ZINC000100009699	520398395	/nfs/dbraw/zinc/39/83/95/520398395.db2.gz	SFMWCVYUWKVGTI-ZROIWOOFSA-N	-1	0	270.672	1.912	50	30		CDEARM
CNC(=O)C(C#N)=C([O-])c1cc(C)c(OC(F)F)c(C)c1	ZINC000101017723	545532305	/nfs/dbraw/zinc/53/23/05/545532305.db2.gz	OTVBERQBAXNXRJ-JTQLQIEISA-N	-1	0	296.273	1.973	50	30		CDEARM
Cc1oc(NC(=O)CCCC(=O)[O-])c(C#N)c1C	ZINC000005724568	1164769043	/nfs/dbraw/zinc/76/90/43/1164769043.db2.gz	ONOCDKYTZVDZOO-UHFFFAOYSA-N	-1	0	250.254	1.962	50	30		CDEARM
C=CCn1c(SCc2snnc2C)n[n-]c1=N	ZINC000585090036	930919951	/nfs/dbraw/zinc/91/99/51/930919951.db2.gz	ZTGCYXDYVUCVTB-UHFFFAOYSA-N	-1	0	268.371	1.329	50	30		CDEARM
Cc1ocnc1C([O-])=C(C#N)C(=O)NC1CCCCC1	ZINC000105756737	186070352	/nfs/dbraw/zinc/07/03/52/186070352.db2.gz	YDPNJWXXNLCQTD-NSHDSACASA-N	-1	0	275.308	1.754	50	30		CDEARM
CC[C@H](C(C)C)S(=O)(=O)[N-]C(=O)c1cc(C#N)cn1C	ZINC000095409370	357222874	/nfs/dbraw/zinc/22/28/74/357222874.db2.gz	DCJKMWVHTYRGGK-GFCCVEGCSA-N	-1	0	297.380	1.966	50	30		CDEARM
C=CCN1C(=O)[N-]C(=O)/C(=C\c2ccc(OC)cc2)C1=O	ZINC000013382228	366456518	/nfs/dbraw/zinc/45/65/18/366456518.db2.gz	PSGJKWDJYGZSES-FMIVXFBMSA-N	-1	0	286.287	1.343	50	30		CDEARM
COc1ccc(/C(C)=N/Nc2nc(=O)c(C)n[n-]2)cc1	ZINC000016729434	366899058	/nfs/dbraw/zinc/89/90/58/366899058.db2.gz	JHRHVFILLIOMNN-OVCLIPMQSA-N	-1	0	273.296	1.318	50	30		CDEARM
C=CCNC(=S)[N-]S(=O)(=O)c1ccc(C)cc1	ZINC000003327447	369296492	/nfs/dbraw/zinc/29/64/92/369296492.db2.gz	DSBYKUURTITXLQ-UHFFFAOYSA-N	-1	0	270.379	1.334	50	30		CDEARM
O=C1Nc2ccccc2[C@@]1(O)CC(=N[O-])c1ccco1	ZINC000252626567	369400989	/nfs/dbraw/zinc/40/09/89/369400989.db2.gz	RBGSZKSXKSMPHR-AWEZNQCLSA-N	-1	0	272.260	1.688	50	30		CDEARM
CC(=NNC1=NC(=O)C[C@H](C(=O)[O-])S1)c1ccccc1	ZINC000252679469	372282315	/nfs/dbraw/zinc/28/23/15/372282315.db2.gz	MWRAGBLQCRBEBH-SNVBAGLBSA-N	-1	0	291.332	1.473	50	30		CDEARM
COc1ccc(Br)c(C(=O)/C(C#N)=N/[O-])c1	ZINC000000138951	169550677	/nfs/dbraw/zinc/55/06/77/169550677.db2.gz	NTWXGRCXVYXQAZ-UKTHLTGXSA-N	-1	0	283.081	1.994	50	30		CDEARM
Cc1c(C=Nn2c(=S)[n-]nc2C(F)F)cnn1C	ZINC000008548557	170339448	/nfs/dbraw/zinc/33/94/48/170339448.db2.gz	OJEWBOQOZSHZKS-YIXHJXPBSA-N	-1	0	272.284	1.429	50	30		CDEARM
O=[N+]([O-])c1ccc(N2CCOCC2)c(/C=N/[O-])c1	ZINC000059500626	262390114	/nfs/dbraw/zinc/39/01/14/262390114.db2.gz	XYLFAJGLBCQDNR-XYOKQWHBSA-N	-1	0	251.242	1.240	50	30		CDEARM
CC(C)c1[n-]c(=O)c(C#N)cc1I	ZINC000043828216	280558117	/nfs/dbraw/zinc/55/81/17/280558117.db2.gz	KHTTYKNCKUPZPW-UHFFFAOYSA-N	-1	0	288.088	1.975	50	30		CDEARM
N#Cc1ccc(I)c(C(=O)[O-])c1	ZINC000051943594	303192380	/nfs/dbraw/zinc/19/23/80/303192380.db2.gz	KKYRFNJFSDWXMG-UHFFFAOYSA-N	-1	0	273.029	1.861	50	30		CDEARM
C=CCN(Cc1ccccc1OC)C(=O)c1n[nH]c(=O)[n-]1	ZINC001506396476	975148049	/nfs/dbraw/zinc/14/80/49/975148049.db2.gz	HCFNAPHNUALZHF-UHFFFAOYSA-N	-1	0	288.307	1.347	50	30		CDEARM
O=c1cn[n-]c(N/N=C/c2c(O)ccc3ccccc32)n1	ZINC000003945138	356013960	/nfs/dbraw/zinc/01/39/60/356013960.db2.gz	AEWPVFDJIWNVFX-VIZOYTHASA-N	-1	0	281.275	1.470	50	30		CDEARM
CCOC(=O)C([N-]C(=O)C(F)(F)F)C(=O)OCC	ZINC000038003889	356952009	/nfs/dbraw/zinc/95/20/09/356952009.db2.gz	IKULJLHFWHSYLT-UHFFFAOYSA-N	-1	0	271.191	1.000	50	30		CDEARM
CSCC[C@H](NC=C1C(=O)CC(C)(C)CC1=O)C(=O)[O-]	ZINC000019338992	360146152	/nfs/dbraw/zinc/14/61/52/360146152.db2.gz	RSQPEUUFNJWCFZ-JTQLQIEISA-N	-1	0	299.392	1.624	50	30	biogenic	CDEARM
C=CCc1cc(/C=C2/NC(=O)[N-]C2=O)cc(OC)c1O	ZINC000000316445	361447486	/nfs/dbraw/zinc/44/74/86/361447486.db2.gz	BDRIAUREYXCMFT-UXBLZVDNSA-N	-1	0	274.276	1.310	50	30		CDEARM
C=CCN(CC(=O)[O-])C(=O)Cc1ccc(F)c(F)c1	ZINC000095047456	373693736	/nfs/dbraw/zinc/69/37/36/373693736.db2.gz	OLSGVHBQXSCOPS-UHFFFAOYSA-N	-1	0	269.247	1.607	50	30		CDEARM
CCOC(=O)CS[C@@](O)(C=N[O-])c1ccccc1	ZINC000252622901	374259060	/nfs/dbraw/zinc/25/90/60/374259060.db2.gz	OFGRYUTWUCPFDH-LBPRGKRZSA-N	-1	0	269.322	1.588	50	30		CDEARM
O=C([O-])c1cccc(/N=C2/SC(=O)NC2=O)c1	ZINC000005713833	304255551	/nfs/dbraw/zinc/25/55/51/304255551.db2.gz	JEJPKIHOSBQDGA-DHZHZOJOSA-N	-1	0	250.235	1.398	50	30		CDEARM
O=C([O-])C[C@H]1S/C(=N/N=C/[C@@H]2CC=CCC2)NC1=O	ZINC000004844761	170029363	/nfs/dbraw/zinc/02/93/63/170029363.db2.gz	LCXSJKUTAYWTNE-CNPDAFSZSA-N	-1	0	281.337	1.391	50	30		CDEARM
Nc1ccc(S(=O)(=O)[N-]C(=O)c2ccccc2)cc1	ZINC000005421253	170097842	/nfs/dbraw/zinc/09/78/42/170097842.db2.gz	PBCZLFBEBARBBI-UHFFFAOYSA-N	-1	0	276.317	1.962	50	30	world	CDEARM
CC(=O)Nc1n[n-]c(S(=O)(=O)Cc2ccccc2)n1	ZINC000021356923	171303189	/nfs/dbraw/zinc/30/31/89/171303189.db2.gz	RMJDHZMRPAMLLP-UHFFFAOYSA-N	-1	0	280.309	1.387	50	30		CDEARM
C#CCCC1(CCC(=O)N[C@@H]2CC=C(C(=O)[O-])C2)N=N1	ZINC000952876490	910434199	/nfs/dbraw/zinc/43/41/99/910434199.db2.gz	SDUBXVVRNVEZJD-LLVKDONJSA-N	-1	0	275.308	1.632	50	30		CDEARM
COc1cccc(C([O-])=C(C#N)C(=O)N2CCCC2)c1	ZINC000103502596	185847285	/nfs/dbraw/zinc/84/72/85/185847285.db2.gz	CTVXXPHLGLLOCO-ZDUSSCGKSA-N	-1	0	272.304	1.640	50	30		CDEARM
C=CC[C@]1(CO)CCCN(C(=O)CCc2cc(=O)[n-]o2)C1	ZINC000091494168	180170985	/nfs/dbraw/zinc/17/09/85/180170985.db2.gz	SNDIURGOWFIMCN-HNNXBMFYSA-N	-1	0	294.351	1.490	50	30		CDEARM
Cc1n[n-]c(N/N=C/C=C/c2ccccc2)nc1=O	ZINC000001776356	355951689	/nfs/dbraw/zinc/95/16/89/355951689.db2.gz	RYTYXJBQVCTMNB-KBEUXKDCSA-N	-1	0	255.281	1.584	50	30		CDEARM
CC1(C)[C@@H](C(=O)[O-])[C@@H]1C(=O)Nc1n[nH]c(C(F)(F)F)n1	ZINC000072400632	357429865	/nfs/dbraw/zinc/42/98/65/357429865.db2.gz	JFDGTENKQSSIEO-QWWZWVQMSA-N	-1	0	292.217	1.768	50	30		CDEARM
CC(C)Cn1cnc(S(=O)(=O)[N-]C(=O)c2ccoc2)c1	ZINC000097083171	357945952	/nfs/dbraw/zinc/94/59/52/357945952.db2.gz	RKJWNZGMRLINLP-UHFFFAOYSA-N	-1	0	297.336	1.826	50	30		CDEARM
N#Cc1ccccc1CSc1n[nH]c(=O)[n-]c1=O	ZINC000002475911	375162455	/nfs/dbraw/zinc/16/24/55/375162455.db2.gz	SKCRGVNPVNVHNV-UHFFFAOYSA-N	-1	0	260.278	1.034	50	30		CDEARM
C=CC[C@]1(C(=O)[O-])CCCN(c2nccnc2OC)C1	ZINC000091644682	377899315	/nfs/dbraw/zinc/89/93/15/377899315.db2.gz	JPCCBBCUTGUSEE-AWEZNQCLSA-N	-1	0	277.324	1.733	50	30		CDEARM
C=CCn1c2cc(C(=O)[O-])cnc2n(CCOCC)c1=O	ZINC000065393487	378508283	/nfs/dbraw/zinc/50/82/83/378508283.db2.gz	BZBQNZNGTCMEIE-UHFFFAOYSA-N	-1	0	291.307	1.119	50	30		CDEARM
CC(=O)C1C(C)=Nc2ncnn2[C@H]1c1ccc(C(=O)[O-])cc1	ZINC000004085143	390150809	/nfs/dbraw/zinc/15/08/09/390150809.db2.gz	PGBCURJYMNUBCQ-ZDUSSCGKSA-N	-1	0	298.302	1.854	50	30		CDEARM
N#CCc1cccc(C(=O)N2CCCC[C@@H]2C(=O)[O-])c1	ZINC000195530677	130745772	/nfs/dbraw/zinc/74/57/72/130745772.db2.gz	GHWCSQGTBCUFGJ-CYBMUJFWSA-N	-1	0	272.304	1.832	50	30		CDEARM
CC(C)NC(=O)C(C#N)=C([O-])c1ccc(Br)o1	ZINC000100871163	397746228	/nfs/dbraw/zinc/74/62/28/397746228.db2.gz	KYQPGASZPADMIP-ZETCQYMHSA-N	-1	0	299.124	1.889	50	30		CDEARM
Cc1nnc(C)n1/N=C\c1ccccc1OCC(=O)[O-]	ZINC000005033100	170058644	/nfs/dbraw/zinc/05/86/44/170058644.db2.gz	IECIACJWLXXSGW-AUWJEWJLSA-N	-1	0	274.280	1.241	50	30		CDEARM
N#CC1=C([O-])NC(=S)N[C@@H]1c1ccc(Cl)cc1	ZINC000017124925	303158231	/nfs/dbraw/zinc/15/82/31/303158231.db2.gz	ABMFAEYEKHNRPB-DTWKUNHWSA-N	-1	0	265.725	1.525	50	30		CDEARM
CC[C@@H](CC#N)[C@@H](NC(=O)OC(C)(C)C)C(=O)[O-]	ZINC000700372794	749814550	/nfs/dbraw/zinc/81/45/50/749814550.db2.gz	DLCWXMALQLDAPO-DTWKUNHWSA-N	-1	0	256.302	1.904	50	30		CDEARM
C#CCCC1(CCC(=O)N2CCO[C@@](C)(C(=O)[O-])C2)N=N1	ZINC000952876263	910431484	/nfs/dbraw/zinc/43/14/84/910431484.db2.gz	JANXZVXYXWXKRA-CYBMUJFWSA-N	-1	0	293.323	1.044	50	30		CDEARM
C#CCCC1(CCC(=O)N2CC[C@H](C(=O)[O-])[C@@H]2C)N=N1	ZINC000952876731	910434211	/nfs/dbraw/zinc/43/42/11/910434211.db2.gz	VPEYXEWMSRTXFG-QWRGUYRKSA-N	-1	0	277.324	1.664	50	30		CDEARM
C#CCCC1(CCC(=O)N2CC[C@H](CC(=O)[O-])C2)N=N1	ZINC000952879821	910437246	/nfs/dbraw/zinc/43/72/46/910437246.db2.gz	BGCUSLGJKKGFCW-LLVKDONJSA-N	-1	0	277.324	1.665	50	30		CDEARM
C#CCCC1(CCC(=O)N2CC[C@@H](CC(=O)[O-])C2)N=N1	ZINC000952879822	910438276	/nfs/dbraw/zinc/43/82/76/910438276.db2.gz	BGCUSLGJKKGFCW-NSHDSACASA-N	-1	0	277.324	1.665	50	30		CDEARM
C=C(C)C[C@H](C)C(=O)Nc1ccc([O-])c(S(N)(=O)=O)c1	ZINC000585107777	930944696	/nfs/dbraw/zinc/94/46/96/930944696.db2.gz	PULMIWFUBCKRPU-VIFPVBQESA-N	-1	0	298.364	1.580	50	30		CDEARM
CCN1C(=O)CS/C1=N/c1ccc(C(=O)[O-])c(O)c1	ZINC000100708533	398136982	/nfs/dbraw/zinc/13/69/82/398136982.db2.gz	BRXWOEHENXQDSL-OUKQBFOZSA-N	-1	0	280.305	1.673	50	30		CDEARM
C#CC[C@H](NC(=O)c1csc(C(C)(C)C)n1)C(=O)[O-]	ZINC000585134532	342215597	/nfs/dbraw/zinc/21/55/97/342215597.db2.gz	YINABLYQQBQAJN-QMMMGPOBSA-N	-1	0	280.349	1.647	50	30		CDEARM
C=CCN(CC(=O)[O-])C(=O)c1ccncc1Cl	ZINC000092463509	180390646	/nfs/dbraw/zinc/39/06/46/180390646.db2.gz	WAYGPMWMJWOYJD-UHFFFAOYSA-N	-1	0	254.673	1.448	50	30		CDEARM
C=CCNC(=S)[N-]S(=O)(=O)c1ccc(F)cc1	ZINC000002699632	358732340	/nfs/dbraw/zinc/73/23/40/358732340.db2.gz	BCCAOZKPPBYGGS-UHFFFAOYSA-N	-1	0	274.342	1.165	50	30		CDEARM
CN1C(=O)C[C@H](C(=O)[O-])S/C1=N/c1ccc(F)cc1	ZINC000100001625	358816902	/nfs/dbraw/zinc/81/69/02/358816902.db2.gz	TZEVEERZPLQFTQ-MPJCXMIRSA-N	-1	0	282.296	1.862	50	30		CDEARM
COC(=O)c1c(Br)cc([O-])cc1C#N	ZINC000263622863	359030736	/nfs/dbraw/zinc/03/07/36/359030736.db2.gz	BNNVKJXQQOZNPO-UHFFFAOYSA-N	-1	0	256.055	1.813	50	30		CDEARM
C=C(C)C[C@@H](NC(=O)c1cc(C2CC2)on1)C(=O)[O-]	ZINC000630317546	368714544	/nfs/dbraw/zinc/71/45/44/368714544.db2.gz	RWPOMDTYLLLENL-SNVBAGLBSA-N	-1	0	264.281	1.701	50	30		CDEARM
CCN1C(=O)CS/C1=N\c1ccc(C(=O)[O-])cc1	ZINC000012733550	285172249	/nfs/dbraw/zinc/17/22/49/285172249.db2.gz	CSRREVVARNXTCL-SEYXRHQNSA-N	-1	0	264.306	1.968	50	30		CDEARM
CC(C)c1ccc(NN=C2C(=O)[N-]C(=O)NC2=O)cc1	ZINC000003161659	390146726	/nfs/dbraw/zinc/14/67/26/390146726.db2.gz	WGUDBOHZUPVJOF-UHFFFAOYSA-N	-1	0	274.280	1.784	50	30		CDEARM
Cc1[n-]n(C(N)=S)c(=O)c1N=Nc1ccc(Cl)cc1	ZINC000100150453	275925709	/nfs/dbraw/zinc/92/57/09/275925709.db2.gz	NVYCFOJQNJYNSW-DHDCSXOGSA-N	-1	0	295.755	1.570	50	30		CDEARM
N#CCc1ccc(C(=O)N2CCCC[C@@H]2C(=O)[O-])cc1	ZINC000095989367	303157230	/nfs/dbraw/zinc/15/72/30/303157230.db2.gz	CBWFIWLPGIZRPX-CYBMUJFWSA-N	-1	0	272.304	1.832	50	30		CDEARM
C[C@H](Oc1ccc(/C=N/n2cnnc2)cc1)C(=O)[O-]	ZINC000000451337	355912725	/nfs/dbraw/zinc/91/27/25/355912725.db2.gz	GBFQAEKSUGXARA-JBZZFUPASA-N	-1	0	260.253	1.012	50	30		CDEARM
Nc1[nH]c(=O)[nH]c(=O)c1N=Cc1ccc(Cl)cc1	ZINC000018007470	356464855	/nfs/dbraw/zinc/46/48/55/356464855.db2.gz	VKUPBOAPIGAOMN-LHHJGKSTSA-N	-1	0	264.672	1.049	50	30		CDEARM
O=C1Nc2c(cc([N+](=O)[O-])c3c2CCCC3)/C1=N/[O-]	ZINC000016346984	356438462	/nfs/dbraw/zinc/43/84/62/356438462.db2.gz	SCDBMLHUXJBJSS-UHFFFAOYSA-N	-1	0	261.237	1.604	50	30	in-vitro	CDEARM
N#CCSC1=Nc2ccc(F)cc2S(=O)(=O)[N-]1	ZINC000012361148	359209854	/nfs/dbraw/zinc/20/98/54/359209854.db2.gz	XHAJCWPMWPEPFD-UHFFFAOYSA-N	-1	0	271.298	1.553	50	30		CDEARM
C=CCOc1ccccc1C=C1C(=O)[N-]C(=O)NC1=O	ZINC000002902989	364656537	/nfs/dbraw/zinc/65/65/37/364656537.db2.gz	DDJFGMVKTLMYQI-UHFFFAOYSA-N	-1	0	272.260	1.001	50	30		CDEARM
C=CCNC(=S)[N-]S(=O)(=O)c1ccc(Cl)cc1	ZINC000003327445	369296453	/nfs/dbraw/zinc/29/64/53/369296453.db2.gz	PBPRVRGLFKGUHN-UHFFFAOYSA-N	-1	0	290.797	1.679	50	30		CDEARM
Cc1noc(C)c1S(=O)(=O)[N-]c1ccc(C#N)cc1	ZINC000000151719	373851051	/nfs/dbraw/zinc/85/10/51/373851051.db2.gz	HCBXBBPQFZKJFP-UHFFFAOYSA-N	-1	0	277.305	1.964	50	30		CDEARM
COC[C@H](C)NC(=O)C(C#N)=C([O-])c1cc(C)cc(C)c1	ZINC000103502963	397906864	/nfs/dbraw/zinc/90/68/64/397906864.db2.gz	YOKIBJVTUZPYJK-JSGCOSHPSA-N	-1	0	288.347	1.777	50	30		CDEARM
N#Cc1ccc(Cn2cccc(C(=O)[O-])c2=O)cc1	ZINC000043593288	175074414	/nfs/dbraw/zinc/07/44/14/175074414.db2.gz	NBMAMPBRFNTQRV-UHFFFAOYSA-N	-1	0	254.245	1.466	50	30		CDEARM
CCC#CCN1CCn2nc(CCC(=O)[O-])cc2C1	ZINC000072151998	176327158	/nfs/dbraw/zinc/32/71/58/176327158.db2.gz	YODILYBUJLPWPW-UHFFFAOYSA-N	-1	0	261.325	1.129	50	30		CDEARM
CC[C@H](CC#N)[C@@H](NC(=O)OC(C)(C)C)C(=O)[O-]	ZINC000700372797	772639242	/nfs/dbraw/zinc/63/92/42/772639242.db2.gz	DLCWXMALQLDAPO-RKDXNWHRSA-N	-1	0	256.302	1.904	50	30		CDEARM
CCCCNC(=O)N=S(=O)([O-])c1ccc(C#N)cc1	ZINC000036394561	362059416	/nfs/dbraw/zinc/05/94/16/362059416.db2.gz	HBWIDDLTLQFRBX-UHFFFAOYSA-N	-1	0	281.337	1.551	50	30		CDEARM
CCOC(=O)N=S(=O)([O-])c1ccccc1Cl	ZINC000000095858	355886233	/nfs/dbraw/zinc/88/62/33/355886233.db2.gz	IZTGISMEDBVWTQ-UHFFFAOYSA-N	-1	0	263.702	1.979	50	30		CDEARM
Cn1cc(C#N)c(=NC(=O)N[C@@H]2CC23CCCCC3)[n-]1	ZINC000584908356	358858751	/nfs/dbraw/zinc/85/87/51/358858751.db2.gz	UYLGVLJIGRCVNH-LLVKDONJSA-N	-1	0	273.340	1.558	50	30		CDEARM
Cn1cnc(S(=O)(=O)[N-]c2ccc(C#N)cc2)c1	ZINC000000151710	364923139	/nfs/dbraw/zinc/92/31/39/364923139.db2.gz	OXDCKXIYSFJNPQ-UHFFFAOYSA-N	-1	0	262.294	1.093	50	30		CDEARM
N#Cc1c2c(c(=O)[n-]c1N)C(=O)N[C@H]2c1ccccc1	ZINC000253496445	373829242	/nfs/dbraw/zinc/82/92/42/373829242.db2.gz	BLHCNDGLGAMJDB-NSHDSACASA-N	-1	0	266.260	1.074	50	30		CDEARM
Cc1[n-][nH]c(=O)c1N=Nc1ccc(Br)cc1	ZINC000012575490	390203841	/nfs/dbraw/zinc/20/38/41/390203841.db2.gz	YOIPEQSSJZQUSZ-UHFFFAOYSA-N	-1	0	281.113	1.723	50	30		CDEARM
C=CCNC(=O)C(C#N)=C([O-])c1sccc1CC	ZINC000101257899	397781983	/nfs/dbraw/zinc/78/19/83/397781983.db2.gz	INBRYQIKFSCMQW-JTQLQIEISA-N	-1	0	262.334	1.935	50	30		CDEARM
Cc1nc(C(=O)NC2(C(=O)[O-])CCCCC2)ccc1C#N	ZINC000037419215	173197090	/nfs/dbraw/zinc/19/70/90/173197090.db2.gz	TUYUTZXKVMJZAS-UHFFFAOYSA-N	-1	0	287.319	1.779	50	30		CDEARM
CC(C)n1cc(C#N)c(=NC(=O)c2cc(C3CC3)no2)[n-]1	ZINC000583910485	325264340	/nfs/dbraw/zinc/26/43/40/325264340.db2.gz	HEHLVAMHSZIFDO-UHFFFAOYSA-N	-1	0	285.307	1.875	50	30		CDEARM
C=CCS(=O)(=O)[N-]C(=O)C1C[C@H](C)C[C@@H](C)C1	ZINC000096003053	185062301	/nfs/dbraw/zinc/06/23/01/185062301.db2.gz	ZPLKZCGWMSUINF-NXEZZACHSA-N	-1	0	259.371	1.691	50	30		CDEARM
C=CCOC(=O)OC[C@H](NC(=O)OC(C)(C)C)C(=O)[O-]	ZINC000002564709	361955643	/nfs/dbraw/zinc/95/56/43/361955643.db2.gz	PWTAVSRYETXCDE-QMMMGPOBSA-N	-1	0	289.284	1.304	50	30		CDEARM
COC(=O)N=S(=O)([O-])c1ccc(N=NN(C)C)cc1	ZINC000013943902	356367112	/nfs/dbraw/zinc/36/71/12/356367112.db2.gz	PGLVGTCHVJJBMU-ACCUITESSA-N	-1	0	286.313	1.496	50	30		CDEARM
C/C(=N\N=C1/NC(=O)[C@@H](CC(=O)[O-])S1)c1ccco1	ZINC000004480302	356364360	/nfs/dbraw/zinc/36/43/60/356364360.db2.gz	NWYKGPYKLJWIEB-VVESDKHQSA-N	-1	0	281.293	1.066	50	30		CDEARM
O=C([O-])[C@H](Cc1ccccc1)NC=CC(=O)C(F)(F)F	ZINC000100301121	358826726	/nfs/dbraw/zinc/82/67/26/358826726.db2.gz	MLIIENMBDGAIEZ-GFVADAIESA-N	-1	0	287.237	1.917	50	30		CDEARM
O=[N+]([O-])c1ccc([O-])c(/C=N\C[C@H]2CCCO2)c1	ZINC000100236889	358823376	/nfs/dbraw/zinc/82/33/76/358823376.db2.gz	SNHLNYWIVLKXBB-NUBYWOLOSA-N	-1	0	250.254	1.898	50	30		CDEARM
CC(C)(C)OC(=O)N1CCC[C@H](C#CC(=O)[O-])C1	ZINC000307494993	359919471	/nfs/dbraw/zinc/91/94/71/359919471.db2.gz	IAUQBQSYFPWKDG-SNVBAGLBSA-N	-1	0	253.298	1.722	50	30		CDEARM
C=CCOC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)[O-]	ZINC000002386589	361510654	/nfs/dbraw/zinc/51/06/54/361510654.db2.gz	VNZYUMCXQWYCAW-SECBINFHSA-N	-1	0	287.312	1.474	50	30		CDEARM
CCCNC(=O)c1c([O-])c2ccccc2n(CCC#N)c1=O	ZINC000170624740	364445474	/nfs/dbraw/zinc/44/54/74/364445474.db2.gz	GDZWPZGURJDNPY-UHFFFAOYSA-N	-1	0	299.330	1.761	50	30		CDEARM
CC(=O)c1ccc(-n2cc(C#N)c(=O)[n-]c2=O)cc1	ZINC000003883338	364988052	/nfs/dbraw/zinc/98/80/52/364988052.db2.gz	NJKLSJSKSFMMGK-UHFFFAOYSA-N	-1	0	255.233	1.012	50	30		CDEARM
Cc1n[n-]c(=S)n(N=Cc2cccc(O)c2)c1=O	ZINC000000118900	367036249	/nfs/dbraw/zinc/03/62/49/367036249.db2.gz	YHRJRJWIWNXMIJ-WUXMJOGZSA-N	-1	0	262.294	1.197	50	30		CDEARM
COc1ccc(C(C)N=Nc2nnn[n-]2)c(OC)c1	ZINC000252634442	370101363	/nfs/dbraw/zinc/10/13/63/370101363.db2.gz	WNSSINRXWJLGDI-UHFFFAOYSA-N	-1	0	262.273	1.053	50	30		CDEARM
CC(=O)Nc1nn2c([n-]1)nc(C(F)(F)F)cc2=O	ZINC000018172737	391140749	/nfs/dbraw/zinc/14/07/49/391140749.db2.gz	KDEODOQHWNFIOR-UHFFFAOYSA-N	-1	0	261.163	1.457	50	30		CDEARM
COCCCNC(=O)C(C#N)=C([O-])c1ccc(F)cc1	ZINC000103502776	397906339	/nfs/dbraw/zinc/90/63/39/397906339.db2.gz	NTILDPCYWWFTLR-LBPRGKRZSA-N	-1	0	278.283	1.301	50	30		CDEARM
CCc1ccc(C([O-])=C(C#N)C(=O)N[C@@H](C)COC)cc1	ZINC000103502997	397906591	/nfs/dbraw/zinc/90/65/91/397906591.db2.gz	UPMUDCIKBGBFNI-FZMZJTMJSA-N	-1	0	288.347	1.723	50	30		CDEARM
N#Cc1cc(C(=O)[O-])c(Br)cc1C=O	ZINC000263624837	303180074	/nfs/dbraw/zinc/18/00/74/303180074.db2.gz	UPECTODEFWXYDF-UHFFFAOYSA-N	-1	0	254.039	1.831	50	30		CDEARM
COC(=O)N=S(=O)([O-])c1cccc2cccnc21	ZINC000071780345	567902265	/nfs/dbraw/zinc/90/22/65/567902265.db2.gz	DAUUGNUADBNTTA-UHFFFAOYSA-N	-1	0	266.278	1.484	50	30		CDEARM
CCCN(C)S(=O)(=O)[N-]C(=O)c1cccn1C1CC1	ZINC000097049085	567903702	/nfs/dbraw/zinc/90/37/02/567903702.db2.gz	KJQJDNPFFTTWLW-UHFFFAOYSA-N	-1	0	285.369	1.714	50	30		CDEARM
CC(=O)NCCC/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000102397598	780645363	/nfs/dbraw/zinc/64/53/63/780645363.db2.gz	MAVHWDVUXGVJRF-VGOFMYFVSA-N	-1	0	299.714	1.899	50	30		CDEARM
Cc1[nH]c2ccccc2c1C=NNc1n[nH]c(=O)[n-]c1=O	ZINC000254874739	935263778	/nfs/dbraw/zinc/26/37/78/935263778.db2.gz	QXSYDBHYMQOHSB-UHFFFAOYSA-N	-1	0	284.279	1.519	50	30		CDEARM
CC(=O)c1cccc(NN=C2C(=O)[N-]C(=S)NC2=O)c1	ZINC000016996485	356451140	/nfs/dbraw/zinc/45/11/40/356451140.db2.gz	LIKNXTBBINGNLW-UHFFFAOYSA-N	-1	0	290.304	1.028	50	30		CDEARM
C=C[C@@H]1CCN(C(=O)NCc2ccc(C(=O)[O-])o2)C1	ZINC000426739813	360700958	/nfs/dbraw/zinc/70/09/58/360700958.db2.gz	QXGVHDNENXKRQQ-SECBINFHSA-N	-1	0	264.281	1.695	50	30		CDEARM
Cn1ncnc1[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1	ZINC000089741210	366925434	/nfs/dbraw/zinc/92/54/34/366925434.db2.gz	KICQINYKRQPYNH-UHFFFAOYSA-N	-1	0	297.727	1.141	50	30		CDEARM
CCOCc1cc(C(=O)[N-]S(C)(=O)=O)ccc1OC	ZINC000089987033	367003653	/nfs/dbraw/zinc/00/36/53/367003653.db2.gz	DSPAVRCIUVTEBG-UHFFFAOYSA-N	-1	0	287.337	1.496	50	30		CDEARM
C=CCOc1cccc(NC(=O)[C@H]2C[C@H]2C(=O)[O-])c1	ZINC000192925205	378230363	/nfs/dbraw/zinc/23/03/63/378230363.db2.gz	ZJKSZTGAEPFOFY-NWDGAFQWSA-N	-1	0	261.277	1.911	50	30		CDEARM
C=CCNC(=O)c1c([O-])c2cccc3c2n(c1=O)CC3	ZINC000100621183	390812704	/nfs/dbraw/zinc/81/27/04/390812704.db2.gz	YSSUXLQDAZEFGF-UHFFFAOYSA-N	-1	0	270.288	1.179	50	30		CDEARM
CCOC(=O)c1n[n-]n(N=Cc2ccc(OC)cc2)c1=O	ZINC000101392354	397792666	/nfs/dbraw/zinc/79/26/66/397792666.db2.gz	SFHQTMAXVGLRSR-RIYZIHGNSA-N	-1	0	290.279	1.051	50	30		CDEARM
CCc1nc(SCC(=O)NCC(C)C)[n-]c(=O)c1C#N	ZINC000005238912	170078497	/nfs/dbraw/zinc/07/84/97/170078497.db2.gz	DFAMYEODODZVQM-UHFFFAOYSA-N	-1	0	294.380	1.068	50	30		CDEARM
C/C(CCC(C)C)=N\N=C1/NC(=O)[C@H](CC(=O)[O-])S1	ZINC000006364374	170195687	/nfs/dbraw/zinc/19/56/87/170195687.db2.gz	ADFATIWGEJDJRV-PFMRQGHBSA-N	-1	0	285.369	1.861	50	30		CDEARM
N#Cc1cnn2cc(C(=O)c3ccccc3[O-])cnc12	ZINC000009114641	170363879	/nfs/dbraw/zinc/36/38/79/170363879.db2.gz	HPEFWQYBGDQIOO-UHFFFAOYSA-N	-1	0	264.244	1.538	50	30		CDEARM
NC(=S)N/N=C1\c2ccccc2-c2c1cccc2C(=O)[O-]	ZINC000100684850	303353765	/nfs/dbraw/zinc/35/37/65/303353765.db2.gz	VUIVHOVYKBBEPO-GHRIWEEISA-N	-1	0	297.339	1.951	50	30		CDEARM
C=C(C)C[C@H](C)C(=O)N1C[C@H](OC)C[C@H]1CC(=O)[O-]	ZINC000263148794	330045897	/nfs/dbraw/zinc/04/58/97/330045897.db2.gz	URLODKLBWCEFBB-SDDRHHMPSA-N	-1	0	269.341	1.679	50	30		CDEARM
C#CCCC1(CCC(=O)N2CCC[C@]2(C)C(=O)[O-])N=N1	ZINC000952876162	910431585	/nfs/dbraw/zinc/43/15/85/910431585.db2.gz	DACRGBGONPSQED-CYBMUJFWSA-N	-1	0	277.324	1.808	50	30		CDEARM
Oc1ccc2ccccc2c1CN=Nc1nnn[n-]1	ZINC000003898315	356012838	/nfs/dbraw/zinc/01/28/38/356012838.db2.gz	SIDSDJZHUIIWQR-NTUHNPAUSA-N	-1	0	254.253	1.505	50	30		CDEARM
CCOC(=O)C1CC(=O)C(=C([O-])C2CC2)C(=O)C1	ZINC000100076969	358819839	/nfs/dbraw/zinc/81/98/39/358819839.db2.gz	RVKCCVTVZORVGD-UHFFFAOYSA-N	-1	0	252.266	1.320	50	30	in-vitro	CDEARM
C=CCN(CC(=O)[O-])C(=O)C1CCC(F)(F)CC1	ZINC000179234521	189179656	/nfs/dbraw/zinc/17/96/56/189179656.db2.gz	SURVWDASEOWKAU-UHFFFAOYSA-N	-1	0	261.268	1.911	50	30		CDEARM
C[C@@H](NC1=C(Cl)C(=O)c2ccccc2C1=O)C(=O)[O-]	ZINC000100869476	296113006	/nfs/dbraw/zinc/11/30/06/296113006.db2.gz	MRUSKBUGIISWRQ-ZCFIWIBFSA-N	-1	0	279.679	1.579	50	30		CDEARM
COC[C@@H](C)NC(=O)C(C#N)=C([O-])c1ccc(F)cc1	ZINC000103502898	397906371	/nfs/dbraw/zinc/90/63/71/397906371.db2.gz	UYIBPJAHDTZUKA-BXKDBHETSA-N	-1	0	278.283	1.299	50	30		CDEARM
CC[C@@H]1CCCCN1S(=O)(=O)[N-]C(=O)OC	ZINC000095452559	287014297	/nfs/dbraw/zinc/01/42/97/287014297.db2.gz	NUBQRPGRAIMUKM-MRVPVSSYSA-N	-1	0	250.320	1.056	50	30		CDEARM
N#CCOc1ccccc1[C@@H]1N[C@H](C(=O)[O-])CS1	ZINC000004992614	170051128	/nfs/dbraw/zinc/05/11/28/170051128.db2.gz	ZALCOFDLEUBSTK-GXSJLCMTSA-N	-1	0	264.306	1.377	50	30		CDEARM
CCCSC(=S)[N-][C@H]1CCS(=O)(=O)C1	ZINC000334158948	520546784	/nfs/dbraw/zinc/54/67/84/520546784.db2.gz	HTQWUDQXXCRGDP-ZETCQYMHSA-P	-1	0	254.422	1.749	50	30		CDEARM
CCn1cc(S(=O)(=O)[N-]C(=O)c2ccc(C)s2)cn1	ZINC000096453132	230376586	/nfs/dbraw/zinc/37/65/86/230376586.db2.gz	QHEFSCIMIOUYKS-UHFFFAOYSA-N	-1	0	299.377	1.966	50	30		CDEARM
C[C@](O)(CNc1ccc(C(F)(F)F)c(C#N)c1)C(=O)[O-]	ZINC000263568651	539114628	/nfs/dbraw/zinc/11/46/28/539114628.db2.gz	YRYOQWADUVDMLK-NSHDSACASA-N	-1	0	288.225	1.825	50	30		CDEARM
N#CC(C(=O)N1CCCC1)=C([O-])c1ccc(C#N)cc1	ZINC000103502599	185847181	/nfs/dbraw/zinc/84/71/81/185847181.db2.gz	YKNXZYAUZYELID-CYBMUJFWSA-N	-1	0	267.288	1.503	50	30		CDEARM
Cn1c([O-])c(C2(C#N)CCCCC2)c(=O)n(C)c1=O	ZINC000002837482	355983494	/nfs/dbraw/zinc/98/34/94/355983494.db2.gz	ZSXNAWVFABYMEB-UHFFFAOYSA-N	-1	0	263.297	1.127	50	30		CDEARM
Cc1sc(NC(=O)CSCC(=O)[O-])c(C#N)c1C	ZINC000017009322	367006481	/nfs/dbraw/zinc/00/64/81/367006481.db2.gz	BAHAMOISUAOCHG-UHFFFAOYSA-N	-1	0	284.362	1.993	50	30		CDEARM
N#CC1(C(=O)/N=c2\[n-]nc3n2CCCC3)CCCC1	ZINC000097236493	375156552	/nfs/dbraw/zinc/15/65/52/375156552.db2.gz	JADLOJRDWQTEJZ-UHFFFAOYSA-N	-1	0	259.313	1.059	50	30		CDEARM
COc1ccc2c(c1)[n-]cc(C(=O)Nc1nc[nH]n1)c2=O	ZINC000076904987	390946225	/nfs/dbraw/zinc/94/62/25/390946225.db2.gz	OFEBQRJVUCWCPT-UHFFFAOYSA-N	-1	0	285.263	1.291	50	30		CDEARM
COCCCNC(=O)C(C#N)=C([O-])c1ccsc1	ZINC000103502834	397906236	/nfs/dbraw/zinc/90/62/36/397906236.db2.gz	GZVSXMGLVADBBD-JTQLQIEISA-N	-1	0	266.322	1.223	50	30		CDEARM
O=C(/C(=N\[O-])n1cncn1)c1ccccc1Cl	ZINC000004696518	170000312	/nfs/dbraw/zinc/00/03/12/170000312.db2.gz	HYBXEZCHRACDIY-GXDHUFHOSA-N	-1	0	250.645	1.450	50	30		CDEARM
Cc1cc(C=Nn2c(=S)[n-]nc2C(F)F)n(C)n1	ZINC000008549322	170339456	/nfs/dbraw/zinc/33/94/56/170339456.db2.gz	ZCHUVFWKSDYSDI-UUILKARUSA-N	-1	0	272.284	1.429	50	30		CDEARM
CC(C)(C)OC(=O)N1CC[C@@](C#N)(CC(=O)[O-])C1	ZINC000260523234	328131021	/nfs/dbraw/zinc/13/10/21/328131021.db2.gz	SEWRHQAYZOBQOH-LBPRGKRZSA-N	-1	0	254.286	1.612	50	30		CDEARM
C=CCCn1cc(CN=c2nc(CC)[n-]s2)nn1	ZINC000585092085	482826698	/nfs/dbraw/zinc/82/66/98/482826698.db2.gz	DMVLJEDGJGVOLB-UHFFFAOYSA-N	-1	0	264.358	1.302	50	30		CDEARM
C#CCCC1(CCC(=O)N2CCC[C@@H]2C(=O)[O-])N=N1	ZINC000952876399	910432689	/nfs/dbraw/zinc/43/26/89/910432689.db2.gz	PIIKBIVSROOINV-SNVBAGLBSA-N	-1	0	263.297	1.418	50	30		CDEARM
N#C[C@@]12C(=C(O)c3ccccc3)[C@]1(C#N)C(=O)[N-]C2=O	ZINC000035323776	341994944	/nfs/dbraw/zinc/99/49/44/341994944.db2.gz	MNHCXUORFGREIR-OJNYZHBWSA-N	-1	0	265.228	1.016	50	30		CDEARM
N#Cc1ccc([N-]S(=O)(=O)C(F)(F)F)cc1	ZINC000033962378	362315661	/nfs/dbraw/zinc/31/56/61/362315661.db2.gz	VKASDCYZXATLCS-UHFFFAOYSA-N	-1	0	250.201	1.820	50	30		CDEARM
Cc1n[nH]cc1[N-]S(=O)(=O)c1cc(C#N)ccc1C	ZINC000090231406	367026656	/nfs/dbraw/zinc/02/66/56/367026656.db2.gz	NBKQYTXQTJJOGP-UHFFFAOYSA-N	-1	0	276.321	1.699	50	30		CDEARM
C=CCNC(=O)c1ccc2c(c1)[n-]c(=S)n(CC)c2=O	ZINC000102860463	373762429	/nfs/dbraw/zinc/76/24/29/373762429.db2.gz	GKFONUXARLDQGN-UHFFFAOYSA-N	-1	0	289.360	1.621	50	30		CDEARM
COc1ccc2c(c1)C(=O)/C(=C/c1cn(CC(=O)[O-])nn1)C2	ZINC000606442835	375824950	/nfs/dbraw/zinc/82/49/50/375824950.db2.gz	WQRYSILWJCXVEZ-BJMVGYQFSA-N	-1	0	299.286	1.194	50	30		CDEARM
COc1ccccc1C(=O)C=c1nc2c([n-]c1=O)=NON2	ZINC000101356062	397789138	/nfs/dbraw/zinc/78/91/38/397789138.db2.gz	NKGNAZMXCSZEGJ-SOFGYWHQSA-N	-1	0	286.247	1.209	50	30		CDEARM
N#CC(C(=O)NC1CC1)=C([O-])c1ccn(-c2ccccc2)n1	ZINC000102389314	397850433	/nfs/dbraw/zinc/85/04/33/397850433.db2.gz	GANZOUBOUCYFDN-ZDUSSCGKSA-N	-1	0	294.314	1.473	50	30		CDEARM
C/C(=N\N=C1/NC(=O)[C@@H](CC(=O)[O-])S1)c1ccccc1	ZINC000003893688	169921228	/nfs/dbraw/zinc/92/12/28/169921228.db2.gz	FVRSVHJIIHGNHR-XBLUXWHVSA-N	-1	0	291.332	1.473	50	30		CDEARM
N#Cc1ccccc1S(=O)(=O)N1CCC(C(=O)[O-])CC1	ZINC000004218548	169945056	/nfs/dbraw/zinc/94/50/56/169945056.db2.gz	LCXDLOJRFZNQRZ-UHFFFAOYSA-N	-1	0	294.332	1.044	50	30		CDEARM
N#Cc1c(=O)[n-]c(NC[C@@H]2CCCO2)nc1-c1ccco1	ZINC000005074919	170064448	/nfs/dbraw/zinc/06/44/48/170064448.db2.gz	MCPBTKFQLHNGSJ-VIFPVBQESA-N	-1	0	286.291	1.905	50	30		CDEARM
NC(=S)NN=Cc1cc(Cl)cc(Cl)c1[O-]	ZINC000252460922	342380435	/nfs/dbraw/zinc/38/04/35/342380435.db2.gz	JEYQVOZWSMPXNM-UHFFFAOYSA-N	-1	0	264.137	1.866	50	30		CDEARM
O=[N+]([O-])C=C([O-])c1ncn(Cc2ccccc2)c1[N+](=O)[O-]	ZINC000100028138	185702780	/nfs/dbraw/zinc/70/27/80/185702780.db2.gz	NCGPOUCWHOHOER-UHFFFAOYSA-N	-1	0	290.235	1.299	50	30		CDEARM
CCOC(=O)C(C#N)=NNc1cc(OC)ccc1OC	ZINC000000431641	355910703	/nfs/dbraw/zinc/91/07/03/355910703.db2.gz	FGNCSJNQEIJAKF-LFIBNONCSA-N	-1	0	277.280	1.558	50	30		CDEARM
O=c1cn[n-]c(N/N=C/c2c[nH]c3ccccc23)n1	ZINC000013520455	356347887	/nfs/dbraw/zinc/34/78/87/356347887.db2.gz	LULXBGHNTHTVLP-MKMNVTDBSA-N	-1	0	254.253	1.092	50	30		CDEARM
O=C([O-])CNC1=C(Cl)C(=O)c2ccccc2C1=O	ZINC000020111139	304069836	/nfs/dbraw/zinc/06/98/36/304069836.db2.gz	BGVSMWPOACWRMZ-UHFFFAOYSA-N	-1	0	265.652	1.190	50	30	biogenic	CDEARM
C=CCn1c(SCC(=O)[O-])nnc1-c1ccco1	ZINC000004294290	360775624	/nfs/dbraw/zinc/77/56/24/360775624.db2.gz	NJCZCARHCJJSFY-UHFFFAOYSA-N	-1	0	265.294	1.901	50	30		CDEARM
N#CCSc1sc2c([nH]c(=O)cc2[O-])c1C#N	ZINC000100484257	361585801	/nfs/dbraw/zinc/58/58/01/361585801.db2.gz	UWZXLNYDENJHLU-UHFFFAOYSA-N	-1	0	263.303	1.783	50	30		CDEARM
N#CCc1cccc(C(=O)N2CCO[C@@H](CC(=O)[O-])C2)c1	ZINC000262750355	364917143	/nfs/dbraw/zinc/91/71/43/364917143.db2.gz	KIUWOCIJSJZXHS-ZDUSSCGKSA-N	-1	0	288.303	1.068	50	30		CDEARM
Cn1c2ccccc2n2c1c(C#N)c(=S)[n-]c2=O	ZINC000012543976	368659372	/nfs/dbraw/zinc/65/93/72/368659372.db2.gz	ILIZLZKEJJTAFX-UHFFFAOYSA-N	-1	0	256.290	1.720	50	30		CDEARM
C=CCn1c2ccccc2c([O-])c(C(=O)NCC)c1=O	ZINC000100537081	374158188	/nfs/dbraw/zinc/15/81/88/374158188.db2.gz	YSAPSFUHIMAMAY-UHFFFAOYSA-N	-1	0	272.304	1.643	50	30		CDEARM
COc1ccc(/N=C2/S[C@@H](C(=O)[O-])CC(=O)N2C)cc1	ZINC000061960885	295063530	/nfs/dbraw/zinc/06/35/30/295063530.db2.gz	SHHMYICJNAACAQ-WBNXYMAISA-N	-1	0	294.332	1.731	50	30		CDEARM
C[C@](O)(CNc1ccc(C#N)cc1C(F)(F)F)C(=O)[O-]	ZINC000263548994	300740860	/nfs/dbraw/zinc/74/08/60/300740860.db2.gz	JGVRSMFPJAJSNP-NSHDSACASA-N	-1	0	288.225	1.825	50	30		CDEARM
Cc1nn(C)c(C)c1-c1cc(C(=O)[O-])n2ncc(C#N)c2n1	ZINC000013645370	302735391	/nfs/dbraw/zinc/73/53/91/302735391.db2.gz	PQIHVXKRNRHRML-UHFFFAOYSA-N	-1	0	296.290	1.317	50	30		CDEARM
CC1=CC(=O)C(=C([O-])C=Cc2ccc(N(C)C)cc2)C(=O)O1	ZINC000019309153	813295127	/nfs/dbraw/zinc/29/51/27/813295127.db2.gz	QSJDEBQAWBVIIF-FSNWXROXSA-N	-1	0	299.326	1.981	50	30		CDEARM
C#CCCC1(CCC(=O)N2CC[C@H]([C@H](F)C(=O)[O-])C2)N=N1	ZINC000952876290	910431550	/nfs/dbraw/zinc/43/15/50/910431550.db2.gz	KPLLWAJVRJNCDJ-JQWIXIFHSA-N	-1	0	295.314	1.613	50	30		CDEARM
C=C(C)CN1c2ccc(F)cc2C([O-])=CS1(=O)=O	ZINC000585123074	930990173	/nfs/dbraw/zinc/99/01/73/930990173.db2.gz	UBSLKJSLWCLDJS-UHFFFAOYSA-N	-1	0	269.297	1.734	50	30		CDEARM
CCn1cc(S(=O)(=O)[N-]C(=O)CC(C)C)cn1	ZINC000096453135	230376487	/nfs/dbraw/zinc/37/64/87/230376487.db2.gz	QRSYPQPCYCHDPQ-UHFFFAOYSA-N	-1	0	259.331	1.594	50	30		CDEARM
N/C(CS(=O)(=O)c1ccc2ccccc2c1)=N\O	ZINC000095929498	185031516	/nfs/dbraw/zinc/03/15/16/185031516.db2.gz	DVEGNNHPKGSZHF-UHFFFAOYSA-N	-1	0	264.306	1.360	50	30		CDEARM
C=CCS(=O)(=O)[N-]C(=O)CCc1cc(C)cc(C)c1	ZINC000095991802	185058707	/nfs/dbraw/zinc/05/87/07/185058707.db2.gz	LWFHLEDKLDGPLI-UHFFFAOYSA-N	-1	0	281.377	1.868	50	30		CDEARM
CCc1nc([N-]S(=O)(=O)Cc2ccc(C#N)cc2)no1	ZINC000095994138	185059754	/nfs/dbraw/zinc/05/97/54/185059754.db2.gz	ZCCZEYVKONMAGX-UHFFFAOYSA-N	-1	0	292.320	1.446	50	30		CDEARM
O=C([O-])C[C@H]1SC(=NN=C2CCCC2)NC1=O	ZINC000004689480	356040737	/nfs/dbraw/zinc/04/07/37/356040737.db2.gz	KEVITZOUQOPREU-SSDOTTSWSA-N	-1	0	255.299	1.819	50	30		CDEARM
CC(=NNC1=NC(=O)C[C@@H](C(=O)[O-])S1)c1ccccc1	ZINC000003893650	356012810	/nfs/dbraw/zinc/01/28/10/356012810.db2.gz	MWRAGBLQCRBEBH-SOOGHKCXSA-N	-1	0	291.332	1.473	50	30		CDEARM
COc1ccc(C(=O)CC(=O)C(=O)[O-])cc1OC	ZINC000101027468	358838941	/nfs/dbraw/zinc/83/89/41/358838941.db2.gz	HEXMWWXOZRWBTF-TWGQIWQCSA-N	-1	0	252.222	1.413	50	30		CDEARM
C[C@H](CNC(=O)N=c1[n-]n(C)cc1C#N)c1nccs1	ZINC000612573608	360129252	/nfs/dbraw/zinc/12/92/52/360129252.db2.gz	SUVXJVDGTPLNER-MRVPVSSYSA-N	-1	0	290.352	1.095	50	30		CDEARM
N#Cc1c(F)cccc1NC(=O)c1nccnc1C(=O)[O-]	ZINC000000156336	364921509	/nfs/dbraw/zinc/92/15/09/364921509.db2.gz	JXWVAPAQALCAKX-UHFFFAOYSA-N	-1	0	286.222	1.438	50	30		CDEARM
N#Cc1ccc(OCC(=O)[O-])cc1Br	ZINC000228287183	189792371	/nfs/dbraw/zinc/79/23/71/189792371.db2.gz	QACUVBBPVMJMTG-UHFFFAOYSA-N	-1	0	256.055	1.784	50	30		CDEARM
COc1ccc(Cn2c([O-])cc(C)c(C#N)c2=O)cc1	ZINC000020031373	374838233	/nfs/dbraw/zinc/83/82/33/374838233.db2.gz	AKQVUTFQLAGGBG-UHFFFAOYSA-N	-1	0	270.288	1.791	50	30		CDEARM
COc1ccc(/N=C2/S[C@H](CC(=O)[O-])C(=O)N2C)cc1	ZINC000096488960	533250880	/nfs/dbraw/zinc/25/08/80/533250880.db2.gz	OCUQUUNJEWLFFE-WBNXYMAISA-N	-1	0	294.332	1.731	50	30		CDEARM
CCOC(=O)/C(=N\[O-])C(=O)Nc1ccccc1OC	ZINC000004477369	169970667	/nfs/dbraw/zinc/97/06/67/169970667.db2.gz	BZTYDDHOWRWQHA-UVTDQMKNSA-N	-1	0	266.253	1.027	50	30		CDEARM
COC(=O)C1=NN(c2c(C)cccc2Cl)C(=O)/C1=N\[O-]	ZINC000004709659	170002866	/nfs/dbraw/zinc/00/28/66/170002866.db2.gz	YJZSWWMRUMOARD-NVNXTCNLSA-N	-1	0	295.682	1.354	50	30		CDEARM
Cc1nn(C)c(C)c1[N-]S(=O)(=O)c1ccc(C#N)cc1	ZINC000006975299	302745068	/nfs/dbraw/zinc/74/50/68/302745068.db2.gz	GESWZLOGMSCISK-UHFFFAOYSA-N	-1	0	290.348	1.709	50	30		CDEARM
N#Cc1ccc(C(=O)[O-])cc1I	ZINC000098213407	303189048	/nfs/dbraw/zinc/18/90/48/303189048.db2.gz	MAPYTADMDDOORV-UHFFFAOYSA-N	-1	0	273.029	1.861	50	30		CDEARM
CCCN(C)S(=O)(=O)[N-]C(=O)CC(C)(C)C	ZINC000096466510	527852932	/nfs/dbraw/zinc/85/29/32/527852932.db2.gz	JOAHHAXHCFJCJN-UHFFFAOYSA-N	-1	0	250.364	1.966	50	30		CDEARM
C=CCNC(=O)c1c([O-])c2cccc3c2n(c1=O)CCC3	ZINC000100613640	185720965	/nfs/dbraw/zinc/72/09/65/185720965.db2.gz	UMDAVELRJYSHSP-UHFFFAOYSA-N	-1	0	284.315	1.569	50	30		CDEARM
C=CCN(CC(=O)[O-])S(=O)(=O)c1ccc(CC)s1	ZINC000092463797	180391336	/nfs/dbraw/zinc/39/13/36/180391336.db2.gz	YQUCGTUCMQAVRB-UHFFFAOYSA-N	-1	0	289.378	1.572	50	30		CDEARM
C/C(=N\N=C1/NC(=O)C[C@@H](C(=O)[O-])S1)c1cccs1	ZINC000004524634	356388226	/nfs/dbraw/zinc/38/82/26/356388226.db2.gz	KTCLSQQHLVLHNU-UVDXRHSJSA-N	-1	0	297.361	1.534	50	30		CDEARM
Cc1cc(C)n(/N=C/c2cc([N+](=O)[O-])ccc2[O-])c(=O)c1	ZINC000035812724	356851338	/nfs/dbraw/zinc/85/13/38/356851338.db2.gz	RJDBDQICTXNHKP-OVCLIPMQSA-N	-1	0	287.275	1.961	50	30		CDEARM
Cc1[n-]n2c(nc(Cc3ccccc3)cc2=O)c1C#N	ZINC000101202571	366454654	/nfs/dbraw/zinc/45/46/54/366454654.db2.gz	MWMDIDNBJDGUHX-UHFFFAOYSA-N	-1	0	264.288	1.794	50	30		CDEARM
C[C@@](O)(CNc1nc(C(F)(F)F)ccc1C#N)C(=O)[O-]	ZINC000263553362	359021383	/nfs/dbraw/zinc/02/13/83/359021383.db2.gz	MNIIRRIWYQTTIR-SNVBAGLBSA-N	-1	0	289.213	1.220	50	30		CDEARM
CON=C(C(=O)[O-])c1csc(N=NC(C)C)n1	ZINC000000296517	359436107	/nfs/dbraw/zinc/43/61/07/359436107.db2.gz	BKURZXQSZHJBNN-QPEQYQDCSA-N	-1	0	256.287	1.386	50	30		CDEARM
CCNC(=S)N/N=C\c1ccc([O-])c([N+](=O)[O-])c1	ZINC000012411845	360161702	/nfs/dbraw/zinc/16/17/02/360161702.db2.gz	MKIARQGJLAMQQJ-SDQBBNPISA-N	-1	0	268.298	1.118	50	30		CDEARM
Cc1[n-]oc(=O)c1N=Nc1ccc(Cl)c(C(N)=O)c1	ZINC000252590684	368223118	/nfs/dbraw/zinc/22/31/18/368223118.db2.gz	AUOFQYUQRGUWAL-UHFFFAOYSA-N	-1	0	280.671	1.140	50	30		CDEARM
N#Cc1ccsc1NC(=O)CSCC(=O)[O-]	ZINC000000117197	373831938	/nfs/dbraw/zinc/83/19/38/373831938.db2.gz	QSXNNCPERMWIJF-UHFFFAOYSA-N	-1	0	256.308	1.376	50	30		CDEARM
CC(=O)[N-]S(=O)(=O)c1cccc2cccnc21	ZINC000095398101	184966457	/nfs/dbraw/zinc/96/64/57/184966457.db2.gz	PDEHLAWITODYQE-UHFFFAOYSA-N	-1	0	250.279	1.900	50	30		CDEARM
CCS(=O)(=O)[N-]c1nn(C(C)(C)C)cc1C#N	ZINC000130111802	391437361	/nfs/dbraw/zinc/43/73/61/391437361.db2.gz	TXQOOHWSLDMANX-UHFFFAOYSA-N	-1	0	256.331	1.271	50	30		CDEARM
N#CC(C(=O)N1CCCC1)=C([O-])c1ccc(C#N)cc1	ZINC000103502601	397906196	/nfs/dbraw/zinc/90/61/96/397906196.db2.gz	YKNXZYAUZYELID-ZDUSSCGKSA-N	-1	0	267.288	1.503	50	30		CDEARM
CC1CCC(=N/N=C2\NC(=O)[C@H](CC(=O)[O-])S2)CC1	ZINC000005046758	170060575	/nfs/dbraw/zinc/06/05/75/170060575.db2.gz	SXGXKBZMAGPJMG-NETXQHHPSA-N	-1	0	283.353	1.615	50	30		CDEARM
C=C[C@H](C(=O)[O-])N1CCN(C(=O)OC(C)(C)C)CC1	ZINC000012954769	276921871	/nfs/dbraw/zinc/92/18/71/276921871.db2.gz	ZXJMXILXWUNTEW-SNVBAGLBSA-N	-1	0	270.329	1.178	50	30		CDEARM
C[C@@]1(C#N)CCCN(Cc2cccc(C(=O)[O-])n2)C1	ZINC000534659741	328342577	/nfs/dbraw/zinc/34/25/77/328342577.db2.gz	PSDGPFFAQFMBHD-AWEZNQCLSA-N	-1	0	259.309	1.905	50	30		CDEARM
CC[C@@H](CC#N)[C@H](NC(=O)OC(C)(C)C)C(=O)[O-]	ZINC000700372795	824276251	/nfs/dbraw/zinc/27/62/51/824276251.db2.gz	DLCWXMALQLDAPO-IUCAKERBSA-N	-1	0	256.302	1.904	50	30		CDEARM
C#CCCC1(CCC(=O)N2CC[C@@H]([C@H](F)C(=O)[O-])C2)N=N1	ZINC000952876291	910431853	/nfs/dbraw/zinc/43/18/53/910431853.db2.gz	KPLLWAJVRJNCDJ-PWSUYJOCSA-N	-1	0	295.314	1.613	50	30		CDEARM
N#Cc1cc(Br)c(C=O)c(C(=O)[O-])c1	ZINC000263623774	303179067	/nfs/dbraw/zinc/17/90/67/303179067.db2.gz	KPPSFHICQVYVOZ-UHFFFAOYSA-N	-1	0	254.039	1.831	50	30		CDEARM
C=CCNS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl	ZINC000003436144	356292241	/nfs/dbraw/zinc/29/22/41/356292241.db2.gz	UBUFAHXEAXHNTE-UHFFFAOYSA-N	-1	0	275.713	1.503	50	30		CDEARM
CC(=O)O[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C)cc1	ZINC000003893644	356815539	/nfs/dbraw/zinc/81/55/39/356815539.db2.gz	CELNKQZYEGTTMP-VIFPVBQESA-N	-1	0	285.321	1.592	50	30		CDEARM
COc1cc(C=Nn2cn[nH]c2=S)cc([N+](=O)[O-])c1[O-]	ZINC000034738815	356818787	/nfs/dbraw/zinc/81/87/87/356818787.db2.gz	QSKCOPUPRZGXJG-UUILKARUSA-N	-1	0	295.280	1.445	50	30		CDEARM
N#Cc1c(F)cccc1NC(=O)CSCC(=O)[O-]	ZINC000000156327	364920284	/nfs/dbraw/zinc/92/02/84/364920284.db2.gz	PCQLPRPJRSVBQA-UHFFFAOYSA-N	-1	0	268.269	1.454	50	30		CDEARM
N#Cc1ccc(N2CCC[C@@H](c3n[n-]c(=O)o3)C2)nc1	ZINC000252479286	367554928	/nfs/dbraw/zinc/55/49/28/367554928.db2.gz	BCLFNJORSXYFMM-SNVBAGLBSA-N	-1	0	271.280	1.014	50	30		CDEARM
C#CCCC1(CCC(=O)NC2CC(CC(=O)[O-])C2)N=N1	ZINC000952876903	910434227	/nfs/dbraw/zinc/43/42/27/910434227.db2.gz	ZURCGKLUCUITBH-UHFFFAOYSA-N	-1	0	277.324	1.712	50	30		CDEARM
N#CC1(C(=O)NCc2ccc(C(=O)[O-])cc2)CCOCC1	ZINC000109621817	186267529	/nfs/dbraw/zinc/26/75/29/186267529.db2.gz	YWCCHMBLRWQTSA-UHFFFAOYSA-N	-1	0	288.303	1.321	50	30		CDEARM
COc1c2c(cc(/C(=N\[O-])[C@@H](C)[N+](=O)[O-])c1OC)OCO2	ZINC000015084025	356406156	/nfs/dbraw/zinc/40/61/56/356406156.db2.gz	JMOZPNCDPGTBQG-PYWGGSMGSA-N	-1	0	298.251	1.276	50	30		CDEARM
CCN(CC)c1ccc(C=[NH+][N-]c2nnn[n-]2)c(O)c1	ZINC000100847422	356817252	/nfs/dbraw/zinc/81/72/52/356817252.db2.gz	SPGVEFBNXXDCMT-MDWZMJQESA-N	-1	0	275.316	1.198	50	30		CDEARM
O=C([O-])C[C@H]1S/C(=N/N=C/c2ccccc2)NC1=O	ZINC000004610887	357241154	/nfs/dbraw/zinc/24/11/54/357241154.db2.gz	QIJOLPVMRAPYPX-MRACZJACSA-N	-1	0	277.305	1.083	50	30		CDEARM
CNC(=O)C(C#N)=C([O-])c1ccc(C)c(Cl)c1	ZINC000100819245	290594079	/nfs/dbraw/zinc/59/40/79/290594079.db2.gz	GOTYPEYALRTEDO-SECBINFHSA-N	-1	0	250.685	1.717	50	30		CDEARM
CCOC(=O)/C(C(C)=O)=C1\[N-]c2ccccc2C1=O	ZINC000100637110	398132114	/nfs/dbraw/zinc/13/21/14/398132114.db2.gz	OZKGNMWOQSNZOI-QXMHVHEDSA-N	-1	0	259.261	1.701	50	30		CDEARM
C=C(C)CCOC(=O)[C@@H](CC(=O)[O-])NCc1ccco1	ZINC000002240334	169782732	/nfs/dbraw/zinc/78/27/32/169782732.db2.gz	ROCAOBKFCLPBFT-GFCCVEGCSA-N	-1	0	281.308	1.722	50	30		CDEARM
Cc1cc(C)nc([N-]N=C2c3ccccc3N(C)C2=O)n1	ZINC000004718810	170004926	/nfs/dbraw/zinc/00/49/26/170004926.db2.gz	SEMUHKDUDLCEMZ-AQTBWJFISA-N	-1	0	281.319	1.886	50	30		CDEARM
COc1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)cn1	ZINC000007056587	170265063	/nfs/dbraw/zinc/26/50/63/170265063.db2.gz	RPUQZHPGTZJUGB-UHFFFAOYSA-N	-1	0	289.316	1.763	50	30		CDEARM
COc1nccc(N2C[C@@H](C(=O)[O-])[C@H](C(C)C)C2)c1C#N	ZINC000091621428	295460482	/nfs/dbraw/zinc/46/04/82/295460482.db2.gz	UHDWKJYGWHYDMG-NWDGAFQWSA-N	-1	0	289.335	1.755	50	30		CDEARM
N#Cc1ccc(C(=O)N2CCC[C@H](C(=O)[O-])C2)cc1	ZINC000013170342	303187961	/nfs/dbraw/zinc/18/79/61/303187961.db2.gz	CUCMXUSQMZQJSR-LBPRGKRZSA-N	-1	0	258.277	1.495	50	30		CDEARM
N#Cc1ccc(N2C[C@@H](C(=O)[O-])CC2=O)cc1Cl	ZINC000037393094	303194869	/nfs/dbraw/zinc/19/48/69/303194869.db2.gz	KZRPXJBBZVIZEC-QMMMGPOBSA-N	-1	0	264.668	1.649	50	30		CDEARM
O=C([O-])Cc1sc(NN=Cc2ccccc2)nc1O	ZINC000028050456	835926254	/nfs/dbraw/zinc/92/62/54/835926254.db2.gz	QIJOLPVMRAPYPX-XSHGTHSTSA-N	-1	0	277.305	1.083	50	30		CDEARM
C#CCCC1(CCC(=O)N2CC[C@H]3[C@@H](C(=O)[O-])[C@H]3C2)N=N1	ZINC000952876738	910435786	/nfs/dbraw/zinc/43/57/86/910435786.db2.gz	VWCMLHNHNZLLLL-NTZNESFSSA-N	-1	0	289.335	1.521	50	30		CDEARM
N#Cc1ccccc1S(=O)(=O)N(CC(=O)[O-])C1CCC1	ZINC000593943060	342859719	/nfs/dbraw/zinc/85/97/19/342859719.db2.gz	BRGNAUJDZICTHH-UHFFFAOYSA-N	-1	0	294.332	1.186	50	30		CDEARM
CCCN(C)S(=O)(=O)[N-]C(=O)c1cscc1C	ZINC000089955550	179892061	/nfs/dbraw/zinc/89/20/61/179892061.db2.gz	VSHHANFNTXHNCU-UHFFFAOYSA-N	-1	0	276.383	1.948	50	30		CDEARM
C[C@H](NC1=C(Cl)C(=O)c2ccccc2C1=O)C(=O)[O-]	ZINC000100869475	356873270	/nfs/dbraw/zinc/87/32/70/356873270.db2.gz	MRUSKBUGIISWRQ-LURJTMIESA-N	-1	0	279.679	1.579	50	30		CDEARM
O=C([O-])c1cccnc1N=NCc1ccc(O)cc1O	ZINC000004591769	357078364	/nfs/dbraw/zinc/07/83/64/357078364.db2.gz	MWKDLMRGYJSSLU-VIZOYTHASA-N	-1	0	273.248	1.637	50	30		CDEARM
C#CCSC[C@H](NC(=O)OC(C)(C)C)C(=O)[O-]	ZINC000069561437	357841092	/nfs/dbraw/zinc/84/10/92/357841092.db2.gz	MSLYNMSPLZOMMP-QMMMGPOBSA-N	-1	0	259.327	1.331	50	30		CDEARM
N#Cc1cccnc1N1C[C@@H](C(=O)[O-])C2(CCC2)C1	ZINC000575608522	370625607	/nfs/dbraw/zinc/62/56/07/370625607.db2.gz	NVYWVQYYPSTHJU-NSHDSACASA-N	-1	0	257.293	1.644	50	30		CDEARM
N#Cc1cc(F)ccc1NC(=O)c1nccnc1C(=O)[O-]	ZINC000031812500	375836247	/nfs/dbraw/zinc/83/62/47/375836247.db2.gz	ZTFKCPGPIPZLCF-UHFFFAOYSA-N	-1	0	286.222	1.438	50	30		CDEARM
C=CC[C@]1(C(=O)[O-])CCCN(c2nccnc2N(C)C)C1	ZINC000092077224	377930669	/nfs/dbraw/zinc/93/06/69/377930669.db2.gz	AEFBNFDGUYNOLC-HNNXBMFYSA-N	-1	0	290.367	1.790	50	30		CDEARM
C=CC[C@]1(C(=O)[O-])CCCN(C(=O)Cn2ccnc2C)C1	ZINC000091907148	377913488	/nfs/dbraw/zinc/91/34/88/377913488.db2.gz	DUUJANMGYNGSRP-HNNXBMFYSA-N	-1	0	291.351	1.461	50	30		CDEARM
CNC(=O)C(C#N)=C([O-])c1cc2ccccc2n1CCOC	ZINC000101372542	397790352	/nfs/dbraw/zinc/79/03/52/397790352.db2.gz	XOSZIPXFNCKUDU-LBPRGKRZSA-N	-1	0	299.330	1.356	50	30		CDEARM
COC(=O)c1cc([O-])c(C#N)cc1Br	ZINC000263625331	277152759	/nfs/dbraw/zinc/15/27/59/277152759.db2.gz	YVYKXJINVXAKQA-UHFFFAOYSA-N	-1	0	256.055	1.813	50	30		CDEARM
C=CCS(=O)(=O)[N-]C(=O)C1C[C@@H](C)C[C@H](C)C1	ZINC000096003052	185062038	/nfs/dbraw/zinc/06/20/38/185062038.db2.gz	ZPLKZCGWMSUINF-UWVGGRQHSA-N	-1	0	259.371	1.691	50	30		CDEARM
CCCN(C)S(=O)(=O)[N-]C(=O)c1cc(C)oc1C	ZINC000089955541	179891944	/nfs/dbraw/zinc/89/19/44/179891944.db2.gz	DLTUQSQGZQPQGH-UHFFFAOYSA-N	-1	0	274.342	1.788	50	30		CDEARM
COC(=O)C1=C([O-])CSC1=Nc1ccc([N+](=O)[O-])cc1	ZINC000100431558	290926861	/nfs/dbraw/zinc/92/68/61/290926861.db2.gz	WXVOTGRIGFWQJI-UHFFFAOYSA-N	-1	0	294.288	1.707	50	30		CDEARM
COc1ccc(C=Cc2n[n-]c(=O)c(C#N)c2C)cc1O	ZINC000007324809	363301495	/nfs/dbraw/zinc/30/14/95/363301495.db2.gz	BXHKZUMFGGGYJH-HWKANZROSA-N	-1	0	283.287	1.835	50	30		CDEARM
CC(O)=C1C(=O)C(=O)N(c2ccccn2)[C@@H]1c1cccnc1	ZINC000004892448	356045042	/nfs/dbraw/zinc/04/50/42/356045042.db2.gz	DYPKYYUGCPTOLF-CQSZACIVSA-N	-1	0	295.298	1.966	50	30		CDEARM
C=CCSc1nc(N)c(NC(=O)c2ccco2)c(=O)[n-]1	ZINC000011535503	358700687	/nfs/dbraw/zinc/70/06/87/358700687.db2.gz	VNDXJNARGMTBJA-UHFFFAOYSA-N	-1	0	292.320	1.476	50	30		CDEARM
C=CCNC(=S)Nc1ccc(O)c(C(=O)[O-])c1	ZINC000002703234	358733183	/nfs/dbraw/zinc/73/31/83/358733183.db2.gz	XZOIDNQRXHMHJF-UHFFFAOYSA-N	-1	0	252.295	1.563	50	30		CDEARM
CCC[C@@H](C)S(=O)(=O)[N-]C(=O)c1cccnc1	ZINC000095426613	374927141	/nfs/dbraw/zinc/92/71/41/374927141.db2.gz	OSLASODYQRRWAJ-SECBINFHSA-N	-1	0	256.327	1.905	50	30		CDEARM
O=C([N-]S(=O)(=O)c1ccccc1)c1cccnc1	ZINC000001418749	378191877	/nfs/dbraw/zinc/19/18/77/378191877.db2.gz	GNPDPVRNDGWPFM-UHFFFAOYSA-N	-1	0	262.290	1.775	50	30		CDEARM
Cc1[nH]nc([N-]S(=O)(=O)c2ccc(C)c(F)c2)c1C#N	ZINC000097048788	390660518	/nfs/dbraw/zinc/66/05/18/390660518.db2.gz	MGFHWIZQRSNBPB-UHFFFAOYSA-N	-1	0	294.311	1.838	50	30		CDEARM
CC(=O)c1ccc(C([O-])=C(C#N)C(=O)c2nccn2C)cc1	ZINC000102100452	397831797	/nfs/dbraw/zinc/83/17/97/397831797.db2.gz	XTVXBEUZVDGVKT-CYBMUJFWSA-N	-1	0	295.298	1.828	50	30		CDEARM
COC[C@@H](C)NC(=O)C(C#N)=C([O-])c1ccc(Cl)cc1	ZINC000103502901	397906312	/nfs/dbraw/zinc/90/63/12/397906312.db2.gz	UNWNJMCNLVDBHQ-SKDRFNHKSA-N	-1	0	294.738	1.814	50	30		CDEARM
COC[C@H](C)NC(=O)C(C#N)=C([O-])c1ccc(C)c(C)c1	ZINC000103503005	397906835	/nfs/dbraw/zinc/90/68/35/397906835.db2.gz	LNMDYPVRKJNBOE-GXTWGEPZSA-N	-1	0	288.347	1.777	50	30		CDEARM
Cc1cc(C)nc([N-]N=C2c3ccccc3NC2=O)n1	ZINC000004718811	170004907	/nfs/dbraw/zinc/00/49/07/170004907.db2.gz	KWSINDKFIVWYNG-UHFFFAOYSA-N	-1	0	267.292	1.862	50	30		CDEARM
C=CCN1C(=O)[N-]C(=O)/C(=C\c2cccs2)C1=O	ZINC000017242088	170730906	/nfs/dbraw/zinc/73/09/06/170730906.db2.gz	ZKUJBGBTJYYGOM-VQHVLOKHSA-N	-1	0	262.290	1.396	50	30		CDEARM
C[C@H](CS)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-]	ZINC000028260229	298872997	/nfs/dbraw/zinc/87/29/97/298872997.db2.gz	GDGPVPYTXHNOSO-BXKDBHETSA-N	-1	0	279.361	1.590	50	30		CDEARM
Cc1nc(=O)[n-]c(SCC(=O)N[C@H](C)C(C)C)c1C#N	ZINC000032776385	260145677	/nfs/dbraw/zinc/14/56/77/260145677.db2.gz	SEDUXKLHLRKMNC-MRVPVSSYSA-N	-1	0	294.380	1.203	50	30		CDEARM
C=CCNC(=O)c1ccc(-n2nc(C(=O)[O-])cc2C)cc1	ZINC000067784284	518933468	/nfs/dbraw/zinc/93/34/68/518933468.db2.gz	XLRFEACBJUDICW-UHFFFAOYSA-N	-1	0	285.303	1.795	50	30		CDEARM
CCC#CCN1CCCn2nc(CCC(=O)[O-])cc2C1	ZINC000072430274	849941522	/nfs/dbraw/zinc/94/15/22/849941522.db2.gz	OZGDAJOCAHCDIJ-UHFFFAOYSA-N	-1	0	275.352	1.519	50	30		CDEARM
O=C([O-])C1CCN(C2=CC(=O)c3ccccc3C2=O)CC1	ZINC000001407052	304041583	/nfs/dbraw/zinc/04/15/83/304041583.db2.gz	YERXUXFPAAUNAA-UHFFFAOYSA-N	-1	0	285.299	1.746	50	30		CDEARM
CN1C(=O)/C(=N\[O-])c2cc(Br)ccc21	ZINC000005982188	356064546	/nfs/dbraw/zinc/06/45/46/356064546.db2.gz	RJLXBYZPCIJJAM-FLIBITNWSA-N	-1	0	255.071	1.604	50	30		CDEARM
C/C(=N\N=C1/NC(=O)[C@H](CC(=O)[O-])S1)c1ccccc1	ZINC000003893687	356012631	/nfs/dbraw/zinc/01/26/31/356012631.db2.gz	FVRSVHJIIHGNHR-CYANDVJASA-N	-1	0	291.332	1.473	50	30		CDEARM
C[C@H](CC(=O)[O-])NC1=CC(=O)c2ccccc2C1=O	ZINC000101415509	358844909	/nfs/dbraw/zinc/84/49/09/358844909.db2.gz	MCOSIBAZFGDQTB-MRVPVSSYSA-N	-1	0	259.261	1.402	50	30		CDEARM
CC(=O)C1=C(O)C(=O)N(CC(=O)[O-])[C@H]1c1ccccc1F	ZINC000000283290	359429794	/nfs/dbraw/zinc/42/97/94/359429794.db2.gz	VEPGUGQACYDATA-LBPRGKRZSA-N	-1	0	293.250	1.195	50	30		CDEARM
C#CC(C)(C)OC(=O)[C@@H]1CC(C)=CC[C@H]1C(=O)[O-]	ZINC000001065801	361455787	/nfs/dbraw/zinc/45/57/87/361455787.db2.gz	AMYOAUDTVJPWAJ-GHMZBOCLSA-N	-1	0	250.294	1.999	50	30		CDEARM
Nc1nonc1/C(=N/[O-])Nc1ccc(Cl)cc1	ZINC000004812114	170021101	/nfs/dbraw/zinc/02/11/01/170021101.db2.gz	SOFDQJMABCOFNN-UHFFFAOYSA-N	-1	0	253.649	1.553	50	30		CDEARM
CN(CC(=O)[O-])C1=C(Cl)C(=O)c2ccccc2C1=O	ZINC000006663460	170223654	/nfs/dbraw/zinc/22/36/54/170223654.db2.gz	UJZPXCNHJNUGCU-UHFFFAOYSA-N	-1	0	279.679	1.532	50	30		CDEARM
Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nn1cnnc1	ZINC000100345783	276187197	/nfs/dbraw/zinc/18/71/97/276187197.db2.gz	GGEJALBVLOLXKC-DYPRAHPUSA-N	-1	0	268.280	1.151	50	30		CDEARM
CC(=O)OC1=C(Cl)C(=O)C(=O)C(Cl)=C1[O-]	ZINC000000349623	278218117	/nfs/dbraw/zinc/21/81/17/278218117.db2.gz	FWUCJLUBVNXNKT-UHFFFAOYSA-N	-1	0	251.021	1.160	50	30		CDEARM
C[S@@](=O)(=NS(=O)(=O)[N-]C1(C#N)CC1)c1ccccc1	ZINC000585137873	1164218532	/nfs/dbraw/zinc/21/85/32/1164218532.db2.gz	XJUNAQOZGUVETB-SFHVURJKSA-N	-1	0	299.377	1.034	50	30		CDEARM
C#CCCC1(CCC(=O)N2CCO[C@H](CC(=O)[O-])C2)N=N1	ZINC000952876265	910431727	/nfs/dbraw/zinc/43/17/27/910431727.db2.gz	JCAOOANKYSSZKV-LLVKDONJSA-N	-1	0	293.323	1.044	50	30		CDEARM
C#CCCC1(CCC(=O)N[C@]2(CC(=O)[O-])CCOC2)N=N1	ZINC000952876754	910435830	/nfs/dbraw/zinc/43/58/30/910435830.db2.gz	WBLQVERSOOSKQU-ZDUSSCGKSA-N	-1	0	293.323	1.092	50	30		CDEARM
O=C([O-])c1cccc(S(=O)(=O)OCC(F)(F)F)c1	ZINC000002651903	355978255	/nfs/dbraw/zinc/97/82/55/355978255.db2.gz	JLDDCGZYTNFEPA-UHFFFAOYSA-N	-1	0	284.211	1.652	50	30		CDEARM
O=CC(N=Nc1ccccc1)=C([O-])c1ccncc1	ZINC000013144161	356339484	/nfs/dbraw/zinc/33/94/84/356339484.db2.gz	ZZDNGTPVVJMDGJ-GHRIWEEISA-N	-1	0	253.261	1.931	50	30		CDEARM
CCN(CC)S(=O)(=O)c1ccccc1/C=N\[O-]	ZINC000100191424	358822670	/nfs/dbraw/zinc/82/26/70/358822670.db2.gz	PCLYEPMGOCHOCT-XFXZXTDPSA-N	-1	0	256.327	1.525	50	30		CDEARM
C=CCSC1=NC(=O)C(CCOCC)C([O-])=N1	ZINC000013957231	361363092	/nfs/dbraw/zinc/36/30/92/361363092.db2.gz	CQCJURZEONFTTK-UHFFFAOYSA-N	-1	0	256.327	1.333	50	30		CDEARM
CNC(=O)C(C#N)=C([O-])c1cccc(-c2noc(C)n2)c1	ZINC000102708169	373638943	/nfs/dbraw/zinc/63/89/43/373638943.db2.gz	CQXLWIXNOLOVDW-NSHDSACASA-N	-1	0	284.275	1.114	50	30		CDEARM
O=C([O-])c1ccc(NN=C2C(=O)CCCC2=O)cc1	ZINC000000087707	304248384	/nfs/dbraw/zinc/24/83/84/304248384.db2.gz	PYWHRNUXBNQWMD-UHFFFAOYSA-N	-1	0	260.249	1.475	50	30		CDEARM
COc1cc(C#N)cc(I)c1[O-]	ZINC000002801488	286191987	/nfs/dbraw/zinc/19/19/87/286191987.db2.gz	LSVSSLQMWDSYLM-UHFFFAOYSA-N	-1	0	275.045	1.877	50	30		CDEARM
O=C([O-])CSc1sc2ccccc2[n+]1CC(=O)[O-]	ZINC000003131404	169859317	/nfs/dbraw/zinc/85/93/17/169859317.db2.gz	AWOHBOWLMPYJQG-UHFFFAOYSA-O	-1	0	284.338	1.450	50	30		CDEARM
O=c1c2ccccc2nc(NN=Cc2ccncc2)n1[O-]	ZINC000005323650	170086003	/nfs/dbraw/zinc/08/60/03/170086003.db2.gz	AFMPDSIWVZPTRG-CXUHLZMHSA-N	-1	0	281.275	1.475	50	30		CDEARM
C=C(C)C[C@H](C)C(=O)Nc1cc(=O)n2[n-]ccc2n1	ZINC000585126681	1164214072	/nfs/dbraw/zinc/21/40/72/1164214072.db2.gz	FSLMVHLUGJDJCS-VIFPVBQESA-N	-1	0	260.297	1.563	50	30		CDEARM
C=CCNC(=O)C(C#N)=C([O-])c1cc(F)c(F)c(F)c1	ZINC000102766115	185790128	/nfs/dbraw/zinc/79/01/28/185790128.db2.gz	UGTLHUWANSWINY-MRVPVSSYSA-N	-1	0	282.221	1.729	50	30		CDEARM
CCOC(=O)C(C#N)=N[N-]c1cc(-c2ccccc2)[nH]n1	ZINC000000165321	355892856	/nfs/dbraw/zinc/89/28/56/355892856.db2.gz	NXHYXZLHJLIWMK-SFQUDFHCSA-N	-1	0	283.291	1.931	50	30		CDEARM
COC(=O)C1=C([O-])CSC1=Nc1ccccc1F	ZINC000000179362	355893626	/nfs/dbraw/zinc/89/36/26/355893626.db2.gz	YLJPGHVXYLFXAM-UHFFFAOYSA-N	-1	0	267.281	1.938	50	30		CDEARM
CC(=O)C1=C(O)C(=O)N(CC(=O)[O-])[C@@H]1c1ccccc1	ZINC000000283218	355901488	/nfs/dbraw/zinc/90/14/88/355901488.db2.gz	MGJBYEARFYIWTC-GFCCVEGCSA-N	-1	0	275.260	1.056	50	30	biogenic	CDEARM
COC(=O)C(=C(C)[O-])C(=O)c1ccc([N+](=O)[O-])cc1	ZINC000100273503	358825053	/nfs/dbraw/zinc/82/50/53/358825053.db2.gz	IHPJXFGCAAADNL-KHPPLWFESA-N	-1	0	265.221	1.626	50	30		CDEARM
N#Cc1nc(NC(=O)Cc2ccccc2F)[n-]c1C#N	ZINC000026273063	369848575	/nfs/dbraw/zinc/84/85/75/369848575.db2.gz	VJJKNVVBEJTXNB-UHFFFAOYSA-N	-1	0	269.239	1.473	50	30		CDEARM
CC1=C2C(=CO[C@H](C)[C@H]2C)C(=O)C(C(=O)[O-])C1=O	ZINC000019795941	374383837	/nfs/dbraw/zinc/38/38/37/374383837.db2.gz	CQIUKKVOEOPUDV-IYSWYEEDSA-N	-1	0	250.250	1.721	50	30	endogenous,in-man	CDEARM
Cc1cccc([N-]S(=O)(=O)c2ccc(C#N)nc2)c1C#N	ZINC000095463439	184994385	/nfs/dbraw/zinc/99/43/85/184994385.db2.gz	ZHKPHTANORHNND-UHFFFAOYSA-N	-1	0	298.327	1.934	50	30		CDEARM
CCOc1cc(/C=N/NCCC#N)cc([N+](=O)[O-])c1[O-]	ZINC000035397902	172176842	/nfs/dbraw/zinc/17/68/42/172176842.db2.gz	WLGQARHOKVCKPC-OVCLIPMQSA-N	-1	0	278.268	1.536	50	30		CDEARM
O=C(/C=N/[O-])Nc1cccc(I)c1	ZINC000043763509	175105173	/nfs/dbraw/zinc/10/51/73/175105173.db2.gz	YPDDGDIDSNXLER-BJMVGYQFSA-N	-1	0	290.060	1.690	50	30		CDEARM
CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)Nc1cccc(C#N)c1	ZINC000071279264	176108194	/nfs/dbraw/zinc/10/81/94/176108194.db2.gz	HIFMIVYBNMSUFQ-MNOVXSKESA-N	-1	0	258.277	1.854	50	30		CDEARM
CN1C(=O)C[C@H](C(=O)[O-])S/C1=N/c1cccc(F)c1	ZINC000100263448	289838127	/nfs/dbraw/zinc/83/81/27/289838127.db2.gz	MMEVBVKZHCNGEA-MPJCXMIRSA-N	-1	0	282.296	1.862	50	30		CDEARM
COc1ccc(/N=C2/S[C@H](C(=O)[O-])CC(=O)N2C)cc1	ZINC000061960886	295063670	/nfs/dbraw/zinc/06/36/70/295063670.db2.gz	SHHMYICJNAACAQ-NJERVBSYSA-N	-1	0	294.332	1.731	50	30		CDEARM
C=CCn1c(=O)c2ccc(C(=O)OC)cc2[n-]c1=S	ZINC000017744396	527334669	/nfs/dbraw/zinc/33/46/69/527334669.db2.gz	UPPJGMXAJKQJNJ-UHFFFAOYSA-N	-1	0	276.317	1.658	50	30		CDEARM
C=C(C)C[C@@H](C)C(=O)N[C@@H](CCSC)c1nnn[n-]1	ZINC000585128130	931012793	/nfs/dbraw/zinc/01/27/93/931012793.db2.gz	SWIISAMBDTUYLG-ZJUUUORDSA-N	-1	0	283.401	1.712	50	30		CDEARM
CC(=O)O/N=C/c1c[n-]c(=O)c(C#N)c1Nc1ccccc1	ZINC000000448448	935298469	/nfs/dbraw/zinc/29/84/69/935298469.db2.gz	CDXOOZZVVXVFDY-GIJQJNRQSA-N	-1	0	296.286	1.887	50	30		CDEARM
CN(Cc1nc(=O)c2sccc2[n-]1)c1ccc(C#N)cn1	ZINC000095944838	185038201	/nfs/dbraw/zinc/03/82/01/185038201.db2.gz	WUEBWQUZFOUMEO-UHFFFAOYSA-N	-1	0	297.343	1.888	50	30		CDEARM
Cc1n[nH]cc1S(=O)(=O)[N-]c1ccccc1C#N	ZINC000037730566	370015682	/nfs/dbraw/zinc/01/56/82/370015682.db2.gz	PXQJNLSRYOCNBQ-UHFFFAOYSA-N	-1	0	262.294	1.391	50	30		CDEARM
N#Cc1c(NC(=O)/C=C/C(=O)[O-])sc2c1CCC2	ZINC000002911749	375369843	/nfs/dbraw/zinc/36/98/43/375369843.db2.gz	PIAPFXCCTUKVIL-SNAWJCMRSA-N	-1	0	262.290	1.688	50	30		CDEARM
O=C([O-])[C@@H](CS)NC(=O)CCc1c[nH]c2ccccc12	ZINC000003985309	375829078	/nfs/dbraw/zinc/82/90/78/375829078.db2.gz	GBPIVZDFCNFOQP-GFCCVEGCSA-N	-1	0	292.360	1.600	50	30	biogenic	CDEARM
C[C@](O)(CNc1c(Cl)cccc1C#N)C(=O)[O-]	ZINC000263565929	140497244	/nfs/dbraw/zinc/49/72/44/140497244.db2.gz	WBGSNCBTBFNTAZ-NSHDSACASA-N	-1	0	254.673	1.459	50	30		CDEARM
CCOC([O-])=NC(=O)C(C#N)=NNc1ccc(Cl)cc1	ZINC000005473127	170102834	/nfs/dbraw/zinc/10/28/34/170102834.db2.gz	LNUCKPDKUPPDSU-YVLHZVERSA-N	-1	0	294.698	1.904	50	30		CDEARM
Cc1[n-]n(-c2ccccc2)c(=O)c1C=NNC(N)=S	ZINC000006383602	170196745	/nfs/dbraw/zinc/19/67/45/170196745.db2.gz	FKNYJECWMCTXEA-VGOFMYFVSA-N	-1	0	275.337	1.053	50	30		CDEARM
N#CC1(C(=O)NCc2cccc(C(=O)[O-])c2)CCOCC1	ZINC000121235751	526432235	/nfs/dbraw/zinc/43/22/35/526432235.db2.gz	INOKIHNHWKMVER-UHFFFAOYSA-N	-1	0	288.303	1.321	50	30		CDEARM