smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])CN1C2=C(C(=O)CCC2)C(c2ccc3c(c2)OCO3)C2=C1CCCC2=O	ZINC000409201810	231179135	/nfs/dbraw/zinc/17/91/35/231179135.db2.gz	ODKROUHUTJTEKL-UHFFFAOYSA-N	-1	0	395.411	2.913	40	30		GFEBRM
COc1cccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c1OCC#N	ZINC000005745857	204150595	/nfs/dbraw/zinc/15/05/95/204150595.db2.gz	KFDRINNSGBQMOK-FOWTUZBSSA-N	-1	0	391.383	2.572	40	30		GFEBRM
COc1cccc(N2CCN(C3=NC4(CCCCCC4)C(C#N)=C([O-])N3)CC2)c1	ZINC000010342443	136199391	/nfs/dbraw/zinc/19/93/91/136199391.db2.gz	DNWJONSTHXEIPF-IBGZPJMESA-N	-1	0	395.507	2.536	40	30		GFEBRM
CC1CCC2(CC1)N=C(N1CCN(c3ccccc3F)CC1)NC([O-])=C2C#N	ZINC000020636741	520967025	/nfs/dbraw/zinc/96/70/25/520967025.db2.gz	MCPFAUZUILHLKI-TZQQIIETSA-N	-1	0	383.471	2.522	40	30		GFEBRM
C=CCN1C(=O)/C(=C/c2ccc(-c3cc(C(=O)[O-])ccc3C)o2)C(=O)NC1=S	ZINC000408903124	526389193	/nfs/dbraw/zinc/38/91/93/526389193.db2.gz	POVRTLVBSVGRQZ-XNTDXEJSSA-N	-1	0	396.424	2.766	40	30		GFEBRM
C=CCSc1nnc([N-]S(=O)(=O)Cc2ccc(C(=O)OC)cc2)s1	ZINC000225200309	527014148	/nfs/dbraw/zinc/01/41/48/527014148.db2.gz	QKMRPPZVHQDHBK-UHFFFAOYSA-N	-1	0	385.492	2.545	40	30		GFEBRM
CCOC(=O)c1cccc(NC=C2C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)c1	ZINC000408531374	528248597	/nfs/dbraw/zinc/24/85/97/528248597.db2.gz	GVDOWHKLQYUEDS-INIZCTEOSA-N	-1	0	393.399	2.773	40	30		GFEBRM
CCN1C(=O)C(=CC(=O)[O-])C(C(=O)c2ccc(Br)cc2)[C@H]1SC	ZINC000062716321	654847641	/nfs/dbraw/zinc/84/76/41/654847641.db2.gz	AMFJYYJKCWECHW-MRXNPFEDSA-N	-1	0	398.278	2.954	40	30		GFEBRM
N#Cc1ccc(Cl)cc1NC=C1C(=O)[N-]C(=O)N(c2ccccc2F)C1=O	ZINC000408535581	231053460	/nfs/dbraw/zinc/05/34/60/231053460.db2.gz	OEMCVZJWXWXKEV-GFCCVEGCSA-N	-1	0	384.754	2.952	40	30		GFEBRM
N#Cc1ccccc1-c1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccncc3)C2=O)o1	ZINC000409395423	231201120	/nfs/dbraw/zinc/20/11/20/231201120.db2.gz	NJJGFUQZAUQCNX-GZTJUZNOSA-N	-1	0	384.351	2.880	40	30		GFEBRM
C#CCOc1ccc(/C=C2/SC(=O)N(CC(=O)[O-])C2=O)cc1Br	ZINC000409126974	527092355	/nfs/dbraw/zinc/09/23/55/527092355.db2.gz	CBYDBZJWDOCZAP-KPKJPENVSA-N	-1	0	396.218	2.582	40	30		GFEBRM
C=CCc1cc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)cc(OC)c1OC	ZINC000409350079	527227333	/nfs/dbraw/zinc/22/73/33/527227333.db2.gz	XCLIAAJNUFFOHB-MDWZMJQESA-N	-1	0	379.459	2.718	40	30		GFEBRM
CCOC(=O)c1cccc(NC=C2C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)c1	ZINC000408538060	528247709	/nfs/dbraw/zinc/24/77/09/528247709.db2.gz	YTJUCIKYAPJLON-AWEZNQCLSA-N	-1	0	397.362	2.604	40	30		GFEBRM
O=C1[N-]C(=O)N(c2cccc(C(F)(F)F)c2)C(=O)C1=CNCc1ccco1	ZINC000408529265	231051775	/nfs/dbraw/zinc/05/17/75/231051775.db2.gz	CNYXUXUFZDZTSS-YOZVVDKVSA-N	-1	0	379.294	2.768	40	30		GFEBRM
Cc1sc(-n2c(C)cc(/C=C3/C(=O)[N-]C(=O)N(C)C3=O)c2C)c(C#N)c1C	ZINC000408995022	231143458	/nfs/dbraw/zinc/14/34/58/231143458.db2.gz	KTOJUGDZKCWFDB-AUWJEWJLSA-N	-1	0	382.445	2.736	40	30		GFEBRM
Cc1c(/N=C/c2ccc(OCC(=O)N3CCOCC3)cc2)cccc1C(=O)[O-]	ZINC000409248865	231187743	/nfs/dbraw/zinc/18/77/43/231187743.db2.gz	HKUGOXYTJCBTGX-LPYMAVHISA-N	-1	0	382.416	2.681	40	30		GFEBRM
C#CCOc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(OCC)cc2)C1=O	ZINC000408807133	527124673	/nfs/dbraw/zinc/12/46/73/527124673.db2.gz	OIAZPLZCTDYHMG-NBVRZTHBSA-N	-1	0	390.395	2.764	40	30		GFEBRM
O=C([O-])CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccccn1	ZINC000019973420	527584646	/nfs/dbraw/zinc/58/46/46/527584646.db2.gz	KLMLWIVNGXNDPF-KRWDZBQOSA-N	-1	0	384.363	2.664	40	30		GFEBRM
CCOc1ccc(NC=C2C(=O)[N-]C(=O)N(c3cccc(OC)c3)C2=O)cc1	ZINC000408532715	528484449	/nfs/dbraw/zinc/48/44/49/528484449.db2.gz	IVJYRJFVIIDUIY-KRWDZBQOSA-N	-1	0	381.388	2.695	40	30		GFEBRM
COc1ccc([N+](=O)[O-])cc1NC=C1C(=O)[N-]C(=O)N(c2cccc(C)c2)C1=O	ZINC000408536917	231054569	/nfs/dbraw/zinc/05/45/69/231054569.db2.gz	UABYSEAWGUFOFW-CQSZACIVSA-N	-1	0	396.359	2.513	40	30		GFEBRM
CN(C)c1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCC(=O)[O-])cc1	ZINC000019904164	522249238	/nfs/dbraw/zinc/24/92/38/522249238.db2.gz	RNLPEISIYYJUAF-IBGZPJMESA-N	-1	0	394.427	2.806	40	30		GFEBRM
C#CCOc1cc(OC)ccc1/C=C1/C(=O)[N-]C(=S)N(c2ccccc2)C1=O	ZINC000408881349	527091170	/nfs/dbraw/zinc/09/11/70/527091170.db2.gz	IYCHAIDSJZCPLJ-ATVHPVEESA-N	-1	0	392.436	2.539	40	30		GFEBRM
C#CCOc1cc(OC)ccc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(C)cc2)C1=O	ZINC000408806080	527091322	/nfs/dbraw/zinc/09/13/22/527091322.db2.gz	ADOXRTHKANCMTB-LDADJPATSA-N	-1	0	390.395	2.682	40	30		GFEBRM
CCOc1cc(/C=C2\C(=O)ON=C2C)cc(Br)c1OCC(=O)[O-]	ZINC000409079031	528197022	/nfs/dbraw/zinc/19/70/22/528197022.db2.gz	JTDLCHMZWYAHDY-WMZJFQQLSA-N	-1	0	384.182	2.627	40	30		GFEBRM
Cc1ccc(N2C(=O)C(=CNc3cccc([N+](=O)[O-])c3)C(=O)[N-]C2=S)cc1	ZINC000408754021	231111460	/nfs/dbraw/zinc/11/14/60/231111460.db2.gz	LMTXZRLDSWFOIR-RPJLVFAOSA-N	-1	0	382.401	2.670	40	30		GFEBRM
CCCCCCCCCCCC(=O)O[C@@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)[O-]	ZINC000100500104	519983885	/nfs/dbraw/zinc/98/38/85/519983885.db2.gz	RCJRJPPOMCHVHQ-CABCVRRESA-N	-1	0	398.543	2.504	40	30		GFEBRM
O=C1C=CC(=C(c2ccc(O)c(O)c2)c2ccccc2S(=O)(=O)[O-])CC1=O	ZINC000012375263	526960458	/nfs/dbraw/zinc/96/04/58/526960458.db2.gz	HGPSVOAVAYJEIJ-UNOMPAQXSA-N	-1	0	386.381	2.727	40	30		GFEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccncc3)C2=O)cc(OCC)c1O	ZINC000409391649	527229218	/nfs/dbraw/zinc/22/92/18/527229218.db2.gz	JCEJBVIHHWZDAQ-LFIBNONCSA-N	-1	0	393.399	2.581	40	30		GFEBRM
C#CCN1C(=O)S/C(=C/c2cc(Br)c([O-])c([N+](=O)[O-])c2)C1=O	ZINC000006300445	551098750	/nfs/dbraw/zinc/09/87/50/551098750.db2.gz	WIUIUBZBWFFMKB-UXBLZVDNSA-N	-1	0	383.179	2.732	40	30		GFEBRM
C=CCSc1nnc([N-]S(=O)(=O)c2ccc(C)c(C(=O)OC)c2)s1	ZINC000224474292	553057520	/nfs/dbraw/zinc/05/75/20/553057520.db2.gz	TYMFNLPIXFAVAV-UHFFFAOYSA-N	-1	0	385.492	2.712	40	30		GFEBRM
CC(C)CNC(=O)c1csc([N-]c2nccc([C@H]3CCCN(CC#N)C3)n2)n1	ZINC000585294642	570270654	/nfs/dbraw/zinc/27/06/54/570270654.db2.gz	STWSVIQIHQVVEY-AWEZNQCLSA-N	-1	0	399.524	2.765	40	30		GFEBRM
COc1ccc(CNC=C2C(=O)[N-]C(=S)N(c3ccc(C)cc3)C2=O)cc1	ZINC000408761784	570471350	/nfs/dbraw/zinc/47/13/50/570471350.db2.gz	BLRVOQDLAHGNPV-RHLNUJDMSA-N	-1	0	381.457	2.639	40	30		GFEBRM
C#CCN1C(=O)S/C(=C/c2cc([N+](=O)[O-])cc(Br)c2[O-])C1=O	ZINC000005826388	571043689	/nfs/dbraw/zinc/04/36/89/571043689.db2.gz	FQWCLGYNHALWTI-BJMVGYQFSA-N	-1	0	383.179	2.732	40	30		GFEBRM
O=[N+]([O-])c1ccc(NN=Cc2cc([N+](=O)[O-])cc(Br)c2[O-])nc1	ZINC000408912285	231129708	/nfs/dbraw/zinc/12/97/08/231129708.db2.gz	QFGGYJZTUMGFNY-WCSRMQSCSA-N	-1	0	382.130	2.812	40	30		GFEBRM
Cc1ccc(N2C(=O)C(=CNc3ccc([N+](=O)[O-])cc3C)C(=O)[N-]C2=S)cc1	ZINC000408765384	231112822	/nfs/dbraw/zinc/11/28/22/231112822.db2.gz	LKGBFRVPMSRKMM-RKQRPNFGSA-N	-1	0	396.428	2.978	40	30		GFEBRM
Cc1ccc([N+](=O)[O-])cc1NC=C1C(=O)[N-]C(=O)N(c2ccccc2F)C1=O	ZINC000408534139	534335856	/nfs/dbraw/zinc/33/58/56/534335856.db2.gz	LLMBPNDQQQVWKR-LBPRGKRZSA-N	-1	0	384.323	2.644	40	30		GFEBRM
C=CCOc1ccc(N(CC(=O)[O-])S(=O)(=O)c2ccc(OC)cc2)cc1	ZINC000224871645	519035408	/nfs/dbraw/zinc/03/54/08/519035408.db2.gz	ADTKBDXTZUTGJA-UHFFFAOYSA-N	-1	0	377.418	2.540	40	30		GFEBRM
CC(C)CNC(=O)c1csc([N-]c2nccc([C@@H]3CCCN3CC#N)n2)n1	ZINC000585294893	570274616	/nfs/dbraw/zinc/27/46/16/570274616.db2.gz	VXPXTVUUYCFIJZ-HNNXBMFYSA-N	-1	0	385.497	2.723	40	30		GFEBRM
O=C1[N-]C(=O)N(c2cccc(C(F)(F)F)c2)C(=O)C1=CNc1cccnc1	ZINC000408533682	231052556	/nfs/dbraw/zinc/05/25/56/231052556.db2.gz	KMGPNZBVFQYHDD-CYBMUJFWSA-N	-1	0	376.294	2.702	40	30		GFEBRM
O=C([O-])c1ccc(/N=C\c2cn(CC(=O)N3CCOCC3)c3ccccc23)cc1	ZINC000408858847	231122936	/nfs/dbraw/zinc/12/29/36/231122936.db2.gz	UAVFFOLXBKFNMA-QRVIBDJDSA-N	-1	0	391.427	2.949	40	30		GFEBRM
COc1ccc(C(=O)C2=C(O)C(=O)N(CCCC(=O)[O-])[C@H]2c2ccccn2)cc1	ZINC000019973522	523548538	/nfs/dbraw/zinc/54/85/38/523548538.db2.gz	QVNJUFMWHNHFOL-SFHVURJKSA-N	-1	0	396.399	2.533	40	30		GFEBRM
C#CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCC)cc3)C2=O)cc1	ZINC000408811496	527092809	/nfs/dbraw/zinc/09/28/09/527092809.db2.gz	KHWVIKCMPSLRGT-XMHGGMMESA-N	-1	0	390.395	2.764	40	30		GFEBRM
CC(C)C1=C([O-])C2=C(C(=O)C1=O)[C@@]1(C)CCCC(C)(C)[C@@H]1[C@@H](O)[C@@H]2OC=O	ZINC000001576669	570265182	/nfs/dbraw/zinc/26/51/82/570265182.db2.gz	YWAFSTAPSPQVPP-YOUFYPILSA-N	-1	0	376.449	2.652	40	30		GFEBRM
CS(=O)(=O)Cc1cccc(C(=O)[N-]S(=O)(=O)c2ccc(Cl)cc2)c1	ZINC000042233644	551139044	/nfs/dbraw/zinc/13/90/44/551139044.db2.gz	VDVUOOGXKITPRP-UHFFFAOYSA-N	-1	0	387.866	2.578	40	30		GFEBRM
CC(C)CNC(=O)c1csc([N-]c2nccc([C@H]3CCCN3CC#N)n2)n1	ZINC000585294901	570274641	/nfs/dbraw/zinc/27/46/41/570274641.db2.gz	VXPXTVUUYCFIJZ-OAHLLOKOSA-N	-1	0	385.497	2.723	40	30		GFEBRM
COC(=O)c1ccc(NC=C2C(=O)[N-]C(=S)N(c3ccc(C)cc3)C2=O)cc1	ZINC000408756919	570544614	/nfs/dbraw/zinc/54/46/14/570544614.db2.gz	VHEMYOFHWADDPC-NBZOHKLQSA-N	-1	0	395.440	2.548	40	30		GFEBRM
O=C(Cc1ccccc1)[N-]S(=O)(=O)c1ccc(N=NN2CCOCC2)cc1	ZINC000015990426	230894518	/nfs/dbraw/zinc/89/45/18/230894518.db2.gz	WXBUJKCBWDXJHV-XUTLUUPISA-N	-1	0	388.449	2.905	40	30		GFEBRM
CCOc1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccccc3OC)C2=O)cc1	ZINC000408538169	528485377	/nfs/dbraw/zinc/48/53/77/528485377.db2.gz	YXYLQCITQZZGMX-HNNXBMFYSA-N	-1	0	381.388	2.695	40	30		GFEBRM
CC(=O)Nc1ccc(Nc2cc(-c3cccnc3)nc(NCC(=O)[O-])n2)cc1	ZINC000329069327	570216938	/nfs/dbraw/zinc/21/69/38/570216938.db2.gz	YVVOBYPJBSODCU-UHFFFAOYSA-N	-1	0	378.392	2.809	40	30		GFEBRM
COc1ccccc1CN/N=C/c1cc(Cl)c(OCC(=O)[O-])c(OC)c1	ZINC000020761541	570281276	/nfs/dbraw/zinc/28/12/76/570281276.db2.gz	INXAIIUSRBPJRD-AWQFTUOYSA-N	-1	0	378.812	2.944	40	30		GFEBRM
CC(=O)c1nn(-c2ccccc2[N+](=O)[O-])/c(=N/N=C/c2ccc(O)cc2)s1	ZINC000005726504	570453603	/nfs/dbraw/zinc/45/36/03/570453603.db2.gz	KCUUBUHOCLPXGJ-MNVAPZAZSA-N	-1	0	383.389	2.685	40	30		GFEBRM
N#CC1=C([O-])NC(N2CCN(c3cccc(Cl)c3)CC2)=NC12CCCCC2	ZINC000014163012	570878613	/nfs/dbraw/zinc/87/86/13/570878613.db2.gz	ADVXSNVKMMWVHR-QGZVFWFLSA-N	-1	0	385.899	2.790	40	30		GFEBRM
Cc1ccc(NN=c2[n-]c3nonc3nc2N=NCc2c[nH]c3ccccc23)cc1	ZINC000408721612	231105941	/nfs/dbraw/zinc/10/59/41/231105941.db2.gz	VPJPEZZEBNJWME-JJFYIABZSA-N	-1	0	399.418	2.531	40	30		GFEBRM
Cc1ccc(NC=C2C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc1[N+](=O)[O-]	ZINC000408742699	231110764	/nfs/dbraw/zinc/11/07/64/231110764.db2.gz	XWPWLFQRWIIMNO-FVOVHSBVSA-N	-1	0	382.401	2.670	40	30		GFEBRM
Cc1ccccc1N1C(=O)[N-]C(=O)C(=CNc2sc3c(c2C#N)CCC3)C1=O	ZINC000408528258	534821234	/nfs/dbraw/zinc/82/12/34/534821234.db2.gz	FQWNMBXSGQZTLW-GXDHUFHOSA-N	-1	0	392.440	2.996	40	30		GFEBRM
C=CCOc1cc(OC)ccc1/C=C1\C(=O)[N-]C(=O)N(c2ccccc2)C1=O	ZINC000408809560	526823190	/nfs/dbraw/zinc/82/31/90/526823190.db2.gz	OHGLYAJBMFGJLV-SFQUDFHCSA-N	-1	0	378.384	2.926	40	30		GFEBRM
O=C1[N-]C(=O)N(c2cccc(C(F)(F)F)c2)C(=O)C1=CNCc1ccco1	ZINC000408529264	231051947	/nfs/dbraw/zinc/05/19/47/231051947.db2.gz	CNYXUXUFZDZTSS-UWPAOYMWSA-N	-1	0	379.294	2.768	40	30		GFEBRM
O=[N+]([O-])c1cc(CN=Nc2ncccc2[N+](=O)[O-])cc(Br)c1[O-]	ZINC000409094324	231158036	/nfs/dbraw/zinc/15/80/36/231158036.db2.gz	DJNMYIHTFXYOPP-GIDUJCDVSA-N	-1	0	382.130	2.812	40	30		GFEBRM
N#Cc1c(/C=C\c2ccc([N+](=O)[O-])cc2)c(C(=O)[O-])nn(-c2ccccc2)c1=O	ZINC000409195578	231177751	/nfs/dbraw/zinc/17/77/51/231177751.db2.gz	JGIXXXQNFHLIAB-FLIBITNWSA-N	-1	0	388.339	2.881	40	30		GFEBRM
CCNC(=S)N/N=C/c1ccc(OCc2ccc(C(=O)[O-])cc2)c(OC)c1	ZINC000006349351	570741222	/nfs/dbraw/zinc/74/12/22/570741222.db2.gz	HGFZYFWNDNHRAE-SRZZPIQSSA-N	-1	0	387.461	2.790	40	30		GFEBRM
N#CCc1ccc([N-]S(=O)(=O)c2nnc(NC(=O)c3ccccc3)s2)cc1	ZINC000225712234	231035680	/nfs/dbraw/zinc/03/56/80/231035680.db2.gz	GRLYQTYSPSIUBO-UHFFFAOYSA-N	-1	0	399.457	2.657	40	30		GFEBRM
O=[N+]([O-])c1ccc(NN=Cc2cc(Br)cc([N+](=O)[O-])c2[O-])nc1	ZINC000409109006	231162260	/nfs/dbraw/zinc/16/22/60/231162260.db2.gz	ZKXNSRLMANGQAQ-PJQLUOCWSA-N	-1	0	382.130	2.812	40	30		GFEBRM
O=C([O-])c1cccc(-c2ccc(C=Nn3c(=O)[nH]c4ccccc4c3=O)o2)c1	ZINC000409352567	231194910	/nfs/dbraw/zinc/19/49/10/231194910.db2.gz	DIHGYHRJNSBXAI-UHFFFAOYSA-N	-1	0	375.340	2.943	40	30		GFEBRM
C=CCn1cc(CN2CCc3c(nc4cc(C(C)(C)C)[n-]n4c3=O)C2)c(C)n1	ZINC000072339332	519280018	/nfs/dbraw/zinc/28/00/18/519280018.db2.gz	PFKWOZCKYMMZGV-UHFFFAOYSA-N	-1	0	380.496	2.982	40	30		GFEBRM
C/C(=N\CCN1CCOCC1)c1c([O-])c2ccccc2n(-c2ccccc2)c1=O	ZINC000100643591	518456530	/nfs/dbraw/zinc/45/65/30/518456530.db2.gz	JBZOWEXBOTXVKS-JJIBRWJFSA-N	-1	0	391.471	2.838	40	30		GFEBRM
CC1CCC2(CC1)N=C(N1CCN(c3ccc(F)cc3)CC1)NC([O-])=C2C#N	ZINC000020636695	520966540	/nfs/dbraw/zinc/96/65/40/520966540.db2.gz	CBCOGKLOOJHDAP-BPVAQJAMSA-N	-1	0	383.471	2.522	40	30		GFEBRM
CCOC(=O)c1cccc(NC=C2C(=O)[N-]C(=S)N(c3ccccc3)C2=O)c1	ZINC000408740149	528246777	/nfs/dbraw/zinc/24/67/77/528246777.db2.gz	IXIAMLHBOWMOPB-GKXUUXLPSA-N	-1	0	395.440	2.630	40	30		GFEBRM
COc1ccccc1N1CCN(C2=NC3(CCCCCC3)C(C#N)=C([O-])N2)CC1	ZINC000010342445	537068180	/nfs/dbraw/zinc/06/81/80/537068180.db2.gz	DYFCRAFJYJCVMS-KRWDZBQOSA-N	-1	0	395.507	2.536	40	30		GFEBRM
CC(=O)Nc1ccc(Nc2cc(-c3ccccn3)nc(NCC(=O)[O-])n2)cc1	ZINC000329054753	570215591	/nfs/dbraw/zinc/21/55/91/570215591.db2.gz	VKXUHOOEPXXOPG-UHFFFAOYSA-N	-1	0	378.392	2.809	40	30		GFEBRM
COc1ccc(C(=O)C2=C(O)C(=O)N(CCCC(=O)[O-])[C@H]2c2cccnc2)cc1	ZINC000019973520	523550716	/nfs/dbraw/zinc/55/07/16/523550716.db2.gz	VYAZCERYXSNPCR-SFHVURJKSA-N	-1	0	396.399	2.533	40	30		GFEBRM
C=CCc1cc(CN=Nc2ccc([N+](=O)[O-])cn2)cc(OC)c1OCC(=O)[O-]	ZINC000408850333	527229602	/nfs/dbraw/zinc/22/96/02/527229602.db2.gz	LORWRNLSABCNSQ-AWQFTUOYSA-N	-1	0	386.364	2.636	40	30		GFEBRM
CC(=O)c1nn(-c2ccc([N+](=O)[O-])cc2)/c(=N/N=C/c2ccc(O)cc2)s1	ZINC000005726501	570453726	/nfs/dbraw/zinc/45/37/26/570453726.db2.gz	XKYLLAKQKDWQDG-MNVAPZAZSA-N	-1	0	383.389	2.685	40	30		GFEBRM
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)ccc1OCC#N	ZINC000006479402	570743730	/nfs/dbraw/zinc/74/37/30/570743730.db2.gz	MESLDTDJQMEYCW-RVDMUPIBSA-N	-1	0	391.383	2.572	40	30		GFEBRM
N#CC1=C([O-])NC(N2CCN(c3cccc(Cl)c3)CC2)=NC12CCCCC2	ZINC000014163015	570878678	/nfs/dbraw/zinc/87/86/78/570878678.db2.gz	ADVXSNVKMMWVHR-KRWDZBQOSA-N	-1	0	385.899	2.790	40	30		GFEBRM
Cc1cc([N+](=O)[O-])ccc1NC=C1C(=O)[N-]C(=S)N(c2ccccc2)C1=O	ZINC000408740417	231109714	/nfs/dbraw/zinc/10/97/14/231109714.db2.gz	KFEMCGZNTSBTIK-LEBHLANCSA-N	-1	0	382.401	2.670	40	30		GFEBRM
COC(=O)c1ccccc1NC=C1C(=O)[N-]C(=S)N(c2ccc(C)cc2)C1=O	ZINC000408767283	534286574	/nfs/dbraw/zinc/28/65/74/534286574.db2.gz	YXHUEIGLAXKYRL-FPQGOQEYSA-N	-1	0	395.440	2.548	40	30		GFEBRM
CCOc1cc(C=NNc2ccc(Cl)c(C(=O)[O-])c2)ccc1OCC(N)=O	ZINC000409208277	528200994	/nfs/dbraw/zinc/20/09/94/528200994.db2.gz	BUGDVDCYMXPNBP-NKVSQWTQSA-N	-1	0	391.811	2.747	40	30		GFEBRM
CCOC(=O)c1cccc(NC=C2C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c1	ZINC000408535638	528248387	/nfs/dbraw/zinc/24/83/87/528248387.db2.gz	OIOQJQUGKSDCPU-KRWDZBQOSA-N	-1	0	393.399	2.773	40	30		GFEBRM
CC/N=C1/S/C(=C/c2ccc(OCC(=O)[O-])c(OCC)c2)C(=O)N1CC	ZINC000408928416	528829759	/nfs/dbraw/zinc/82/97/59/528829759.db2.gz	AYQFNHOSUABEFH-YYWHJSAJSA-N	-1	0	378.450	2.861	40	30		GFEBRM
[O-]c1c(Cl)cc(Cl)cc1CN=Nc1ncc(F)c(N2CCOCC2)n1	ZINC000009236008	551103375	/nfs/dbraw/zinc/10/33/75/551103375.db2.gz	GMLGUPDHGWEOAU-IFRROFPPSA-N	-1	0	386.214	2.911	40	30		GFEBRM
Cc1ccc(N2C(=O)C(=CNc3ccc([N+](=O)[O-])cc3)C(=O)[N-]C2=S)cc1	ZINC000408753413	231111906	/nfs/dbraw/zinc/11/19/06/231111906.db2.gz	IRVSXWLVKQIPEI-GDXCHIGESA-N	-1	0	382.401	2.670	40	30		GFEBRM
COc1ccc(OC)c(NC=C2C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c1	ZINC000408532999	532966613	/nfs/dbraw/zinc/96/66/13/532966613.db2.gz	IZWIYGAODDFVFO-OAHLLOKOSA-N	-1	0	381.388	2.614	40	30		GFEBRM
Cc1ccc([N+](=O)[O-])cc1NC=C1C(=O)[N-]C(=O)N(c2ccccc2C)C1=O	ZINC000408532569	534335709	/nfs/dbraw/zinc/33/57/09/534335709.db2.gz	IJKZIOBHHVWNBL-CQSZACIVSA-N	-1	0	380.360	2.813	40	30		GFEBRM
O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)C1=CNCc1ccco1	ZINC000408533726	534785547	/nfs/dbraw/zinc/78/55/47/534785547.db2.gz	KOXGYMXBCQENAA-VVSAQIQQSA-N	-1	0	390.193	2.512	40	30		GFEBRM
C=CCSc1nnc([N-]S(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)s1	ZINC000223166171	553056022	/nfs/dbraw/zinc/05/60/22/553056022.db2.gz	BVGVLGGUOCPMDW-UHFFFAOYSA-N	-1	0	396.519	2.526	40	30		GFEBRM
CCOc1cc(/C=N/NCc2ccc(OC)c(OC)c2)cc([N+](=O)[O-])c1[O-]	ZINC000020195810	570247086	/nfs/dbraw/zinc/24/70/86/570247086.db2.gz	LFGYDHCOABJYOQ-RGVLZGJSSA-N	-1	0	375.381	2.840	40	30		GFEBRM
COC(=O)c1cccc(NC=C2C(=O)[N-]C(=S)N(c3ccc(C)cc3)C2=O)c1	ZINC000408755540	570545052	/nfs/dbraw/zinc/54/50/52/570545052.db2.gz	QPNYHYSWDZSNBA-XYHOIZSOSA-N	-1	0	395.440	2.548	40	30		GFEBRM
CC(N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cc([N+](=O)[O-])c([O-])cc1O	ZINC000100504492	518464503	/nfs/dbraw/zinc/46/45/03/518464503.db2.gz	DZCVYHMOELAYJA-VIZOYTHASA-N	-1	0	377.269	2.659	40	30		GFEBRM
COC(=O)c1ccccc1NC=C1C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O	ZINC000408537852	534291445	/nfs/dbraw/zinc/29/14/45/534291445.db2.gz	XRMPGYIXIPJAOU-AWEZNQCLSA-N	-1	0	399.790	2.728	40	30		GFEBRM
CCOC(=O)c1cccc(NC=C2C(=O)[N-]C(=S)N(c3ccccc3)C2=O)c1	ZINC000408740150	528246548	/nfs/dbraw/zinc/24/65/48/528246548.db2.gz	IXIAMLHBOWMOPB-SVZNOHIVSA-N	-1	0	395.440	2.630	40	30		GFEBRM
Cc1c(/N=C/c2cc(C(=O)[O-])cc3c2OCOC3)c(=O)n(-c2ccccc2)n1C	ZINC000001063641	209295764	/nfs/dbraw/zinc/29/57/64/209295764.db2.gz	QEBQJLWDNRMSGG-LSHDLFTRSA-N	-1	0	393.399	2.800	40	30		GFEBRM
COc1ccccc1CNC=C1C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O	ZINC000408537726	533983602	/nfs/dbraw/zinc/98/36/02/533983602.db2.gz	WUPRUTZTJLDXRB-FPQGOQEYSA-N	-1	0	385.807	2.819	40	30		GFEBRM
COC(=O)c1ccccc1NC=C1C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O	ZINC000408537853	534291617	/nfs/dbraw/zinc/29/16/17/534291617.db2.gz	XRMPGYIXIPJAOU-CQSZACIVSA-N	-1	0	399.790	2.728	40	30		GFEBRM
C=CCOc1cc(OC)ccc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(O)cc2)C1=O	ZINC000408801161	526824261	/nfs/dbraw/zinc/82/42/61/526824261.db2.gz	RUKCJVWQEWTSKL-GZTJUZNOSA-N	-1	0	394.383	2.632	40	30		GFEBRM
C#CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)cc1OC	ZINC000408814374	527092610	/nfs/dbraw/zinc/09/26/10/527092610.db2.gz	PDEWMEUEFUOPBX-SFQUDFHCSA-N	-1	0	390.395	2.682	40	30		GFEBRM
O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)C1=CNc1cccc([N+](=O)[O-])c1	ZINC000408535571	231053796	/nfs/dbraw/zinc/05/37/96/231053796.db2.gz	ODCQXDQPCYDJIF-CQSZACIVSA-N	-1	0	386.751	2.850	40	30		GFEBRM
COc1ccc(OC)c(NC=C2C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)c1	ZINC000408531232	532967113	/nfs/dbraw/zinc/96/71/13/532967113.db2.gz	GNWHYWVASQBYNZ-OAHLLOKOSA-N	-1	0	381.388	2.614	40	30		GFEBRM
COc1ccc(C(=O)C2=C(O)C(=O)N(CCCC(=O)[O-])[C@@H]2c2ccccn2)cc1	ZINC000019973521	523550526	/nfs/dbraw/zinc/55/05/26/523550526.db2.gz	QVNJUFMWHNHFOL-GOSISDBHSA-N	-1	0	396.399	2.533	40	30		GFEBRM
C=CCN1C(=O)[N-]C(=O)/C(=C/c2ccc(OCc3ccccc3C#N)cc2)C1=O	ZINC000113833369	526407305	/nfs/dbraw/zinc/40/73/05/526407305.db2.gz	ARHPLZQFENDFJT-UNOMPAQXSA-N	-1	0	387.395	2.785	40	30		GFEBRM
C=CCOc1c(C=C(Sc2nnc(C)[nH]2)C(=O)[O-])cc([N+](=O)[O-])cc1OC	ZINC000409192357	526821836	/nfs/dbraw/zinc/82/18/36/526821836.db2.gz	WSIBBYCRCMDKAN-NTUHNPAUSA-N	-1	0	392.393	2.813	40	30		GFEBRM
Cc1ccc(N2C(=O)C(=CNc3ccc(C)cc3[N+](=O)[O-])C(=O)[N-]C2=S)cc1	ZINC000015745660	136201821	/nfs/dbraw/zinc/20/18/21/136201821.db2.gz	JHWCAJAXNVXCIF-IPZKOZABSA-N	-1	0	396.428	2.978	40	30		GFEBRM
COc1ccccc1N1C(=O)[N-]C(=O)C(=CNc2cc([N+](=O)[O-])ccc2C)C1=O	ZINC000408527875	534129810	/nfs/dbraw/zinc/12/98/10/534129810.db2.gz	AGSFYRNLFNHNMI-CYBMUJFWSA-N	-1	0	396.359	2.513	40	30		GFEBRM
C#CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1OCC	ZINC000408806178	527093036	/nfs/dbraw/zinc/09/30/36/527093036.db2.gz	BAPASIVJRANFLZ-GHRIWEEISA-N	-1	0	390.395	2.764	40	30		GFEBRM
C=CCc1cc(/C=N/N2C(=O)c3ccccc3C2=O)cc(OC)c1OCC(=O)[O-]	ZINC000059679503	570660885	/nfs/dbraw/zinc/66/08/85/570660885.db2.gz	CROGHENQOQLHIO-SSDVNMTOSA-N	-1	0	394.383	2.517	40	30		GFEBRM
C=CCOc1cccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)c1	ZINC000408936463	570687515	/nfs/dbraw/zinc/68/75/15/570687515.db2.gz	JZFBGDQJHQQXNF-AQTBWJFISA-N	-1	0	378.384	2.926	40	30		GFEBRM
O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)C1=CNCc1ccco1	ZINC000408533724	534784422	/nfs/dbraw/zinc/78/44/22/534784422.db2.gz	KOXGYMXBCQENAA-ODGFMFMFSA-N	-1	0	390.193	2.512	40	30		GFEBRM
C=CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc1OC	ZINC000408810560	526834351	/nfs/dbraw/zinc/83/43/51/526834351.db2.gz	PKIVBHHYZUTOAV-LFIBNONCSA-N	-1	0	394.383	2.632	40	30		GFEBRM
CCOC(=O)c1ccc(NC=C2C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc1	ZINC000408739618	528195521	/nfs/dbraw/zinc/19/55/21/528195521.db2.gz	DFTKOBMXCZEYQK-GKXUUXLPSA-N	-1	0	395.440	2.630	40	30		GFEBRM
N#Cc1c2c(sc1NC=C1C(=O)[N-]C(=O)N(Cc3ccco3)C1=O)CCCC2	ZINC000005022350	570398399	/nfs/dbraw/zinc/39/83/99/570398399.db2.gz	WRALYSMFIKFFEE-ZROIWOOFSA-N	-1	0	396.428	2.666	40	30		GFEBRM
O=C1[N-]C(=O)N(c2cccc(C(F)(F)F)c2)C(=O)C1=CNCc1ccco1	ZINC000408529262	231051745	/nfs/dbraw/zinc/05/17/45/231051745.db2.gz	CNYXUXUFZDZTSS-OGTYSZTOSA-N	-1	0	379.294	2.768	40	30		GFEBRM
C=CCOc1cccc([N-]S(=O)(=O)c2nnc(NC(=O)C(C)(C)C)s2)c1	ZINC000225825608	526920227	/nfs/dbraw/zinc/92/02/27/526920227.db2.gz	ADBSQTRNFHMZCC-UHFFFAOYSA-N	-1	0	396.494	2.888	40	30		GFEBRM
C=CCOc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2cccc([N+](=O)[O-])c2)C1=O	ZINC000408798005	526922439	/nfs/dbraw/zinc/92/24/39/526922439.db2.gz	DHKNECZPHDQBBT-LFIBNONCSA-N	-1	0	393.355	2.826	40	30		GFEBRM
C=CCOc1ccc(/C=C2\SC(=S)N(CC(=O)[O-])C2=O)cc1OCC	ZINC000059192421	570651238	/nfs/dbraw/zinc/65/12/38/570651238.db2.gz	PRKFGWXAAHNXDX-ZROIWOOFSA-N	-1	0	379.459	2.936	40	30		GFEBRM
Cc1cccn2c(=O)c(C=NNc3ccccc3C(=O)[O-])c(N3CCCC3)nc12	ZINC000005446923	570662731	/nfs/dbraw/zinc/66/27/31/570662731.db2.gz	VBUCLKDEOXLOLY-LPYMAVHISA-N	-1	0	391.431	2.747	40	30		GFEBRM
Cc1ccc(N2C(=O)C(=CNc3ccc(N(C)C)cc3)C(=O)[N-]C2=S)cc1	ZINC000408763227	231112911	/nfs/dbraw/zinc/11/29/11/231112911.db2.gz	IIWLAEROZPNCEH-KKJJZKEWSA-N	-1	0	380.473	2.827	40	30		GFEBRM
COc1cc(CN=Nc2ncccc2[N+](=O)[O-])cc(Cl)c1OCC(=O)[O-]	ZINC000409093612	533483368	/nfs/dbraw/zinc/48/33/68/533483368.db2.gz	BFLOJHZTPDVBBN-CNHKJKLMSA-N	-1	0	380.744	2.561	40	30		GFEBRM
CCCCCCCCCCCC(=O)O[C@H]1CS(=O)(=O)C[C@H]1S(=O)(=O)[O-]	ZINC000100500110	519984443	/nfs/dbraw/zinc/98/44/43/519984443.db2.gz	RCJRJPPOMCHVHQ-LSDHHAIUSA-N	-1	0	398.543	2.504	40	30		GFEBRM
CCOC(=O)Nc1cc(N[C@@H](C)/C(=N/[O-])c2ccccc2)c([N+](=O)[O-])c(N)n1	ZINC000017141891	520994446	/nfs/dbraw/zinc/99/44/46/520994446.db2.gz	QJICHFZOOUCRLU-XZXCRHMFSA-N	-1	0	388.384	2.819	40	30		GFEBRM
C#CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc1Cl	ZINC000408814514	527092521	/nfs/dbraw/zinc/09/25/21/527092521.db2.gz	PMBBTXBVWBAMIZ-XNTDXEJSSA-N	-1	0	396.786	2.724	40	30		GFEBRM
COC(=O)c1cccc(NC=C2C(=O)[N-]C(=S)N(c3ccc(C)cc3)C2=O)c1	ZINC000408755534	570545076	/nfs/dbraw/zinc/54/50/76/570545076.db2.gz	QPNYHYSWDZSNBA-BTZNOAQDSA-N	-1	0	395.440	2.548	40	30		GFEBRM
C[C@@H](C(=O)[O-])n1cc(C=Nn2c(=O)[nH]c3ccccc3c2=O)c2ccccc21	ZINC000409363460	231195680	/nfs/dbraw/zinc/19/56/80/231195680.db2.gz	WRKFGGSVNPDPTK-LBPRGKRZSA-N	-1	0	376.372	2.585	40	30		GFEBRM
O=C([O-])c1ccccc1-c1ccc(C=Nn2c(=O)[nH]c3ccccc3c2=O)o1	ZINC000409361106	231195902	/nfs/dbraw/zinc/19/59/02/231195902.db2.gz	QDBCQFXEIRXNQP-UHFFFAOYSA-N	-1	0	375.340	2.943	40	30		GFEBRM
C#CCN1C(=O)S/C(=C/c2cc(Br)ccc2OCC(=O)[O-])C1=O	ZINC000408918823	526914034	/nfs/dbraw/zinc/91/40/34/526914034.db2.gz	PKIYKUSZNDMCES-KPKJPENVSA-N	-1	0	396.218	2.582	40	30		GFEBRM
C#CCOc1c(Cl)cc(/C=C2/SC(=O)N(CC(=O)[O-])C2=O)cc1OCC	ZINC000409137313	527086951	/nfs/dbraw/zinc/08/69/51/527086951.db2.gz	WYSCYJIUIDKFKX-MDWZMJQESA-N	-1	0	395.820	2.872	40	30		GFEBRM
CCOC(=O)c1cccc(NC=C2C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)c1	ZINC000408536348	528247804	/nfs/dbraw/zinc/24/78/04/528247804.db2.gz	QYZJTZFAMIKMQS-QGZVFWFLSA-N	-1	0	393.399	2.773	40	30		GFEBRM
COc1cc(CCC(=O)[N-]S(=O)(=O)c2ccccc2)cc(OC)c1OC	ZINC000001613249	570562403	/nfs/dbraw/zinc/56/24/03/570562403.db2.gz	UBSZOLJIGJFDFI-UHFFFAOYSA-N	-1	0	379.434	2.990	40	30		GFEBRM
CCOC(=O)c1ccc(N=Nc2c(C)[n-]n(-c3ccc([N+](=O)[O-])cc3)c2=O)cc1	ZINC000006599821	570670768	/nfs/dbraw/zinc/67/07/68/570670768.db2.gz	QTNBJHQAJZJYDY-FXBPSFAMSA-N	-1	0	395.375	2.962	40	30		GFEBRM
COc1ccc([N+](=O)[O-])cc1NC=C1C(=O)[N-]C(=O)N(c2ccccc2C)C1=O	ZINC000408529780	231051557	/nfs/dbraw/zinc/05/15/57/231051557.db2.gz	DDBMLIAPUYDBNS-ZDUSSCGKSA-N	-1	0	396.359	2.513	40	30		GFEBRM
COc1cc(CN=Nc2ccc([N+](=O)[O-])cn2)cc(Cl)c1OCC(=O)[O-]	ZINC000408750525	231111844	/nfs/dbraw/zinc/11/18/44/231111844.db2.gz	OJWZANMKDBAZBY-FXBPXSCXSA-N	-1	0	380.744	2.561	40	30		GFEBRM
O=[N+]([O-])c1cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)c([O-])c([N+](=O)[O-])c1	ZINC000409034072	231149526	/nfs/dbraw/zinc/14/95/26/231149526.db2.gz	HAJLPPKTWNPAAJ-ZUWFHJRGSA-N	-1	0	394.159	2.923	40	30		GFEBRM
COc1ccccc1N1C(=O)[N-]C(=O)C(=CNc2cc(Cl)ccc2C#N)C1=O	ZINC000408535689	534128948	/nfs/dbraw/zinc/12/89/48/534128948.db2.gz	OKZKUWBGXCLBLY-CYBMUJFWSA-N	-1	0	396.790	2.822	40	30		GFEBRM
COc1ccccc1N1CCN(C2=NC3(CCCCCC3)C(C#N)=C([O-])N2)CC1	ZINC000010342446	537068235	/nfs/dbraw/zinc/06/82/35/537068235.db2.gz	DYFCRAFJYJCVMS-QGZVFWFLSA-N	-1	0	395.507	2.536	40	30		GFEBRM
CCS[C@@H]1C(C(=O)c2ccc(Br)cc2)C(=CC(=O)[O-])C(=O)N1C	ZINC000062716279	654847675	/nfs/dbraw/zinc/84/76/75/654847675.db2.gz	XNORFUJXPWKJTI-MRXNPFEDSA-N	-1	0	398.278	2.954	40	30		GFEBRM
Cc1ccc(C(=O)[O-])cc1/N=C\c1ccc(OCC(=O)N2CCOCC2)cc1	ZINC000409236040	231185794	/nfs/dbraw/zinc/18/57/94/231185794.db2.gz	RHDHSNJDXRTERU-XKZIYDEJSA-N	-1	0	382.416	2.681	40	30		GFEBRM
COc1ccc(OC)c(NC=C2C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)c1	ZINC000408528073	532967314	/nfs/dbraw/zinc/96/73/14/532967314.db2.gz	ARMPWQJIWHCGLK-CQSZACIVSA-N	-1	0	381.388	2.614	40	30		GFEBRM
Cc1ccc([N+](=O)[O-])cc1NC=C1C(=O)[N-]C(=O)N(c2ccccc2F)C1=O	ZINC000408534136	534334991	/nfs/dbraw/zinc/33/49/91/534334991.db2.gz	LLMBPNDQQQVWKR-GFCCVEGCSA-N	-1	0	384.323	2.644	40	30		GFEBRM
O=C1Nc2ccc(Br)cc2/C1=N\N=C\c1cc([N+](=O)[O-])ccc1[O-]	ZINC000083330308	527088827	/nfs/dbraw/zinc/08/88/27/527088827.db2.gz	QJAQLTSHECCYQZ-REZTVBANSA-N	-1	0	389.165	2.838	40	30		GFEBRM
C#CCOc1cc(OC)ccc1/C=C1/C(=O)[N-]C(=O)N(c2ccccc2F)C1=O	ZINC000408867680	527090926	/nfs/dbraw/zinc/09/09/26/527090926.db2.gz	METCRHQRZODROV-PTNGSMBKSA-N	-1	0	394.358	2.513	40	30		GFEBRM
CCOc1ccc(NC=C2C(=O)[N-]C(=O)N(c3cccc(OC)c3)C2=O)cc1	ZINC000408532721	528485309	/nfs/dbraw/zinc/48/53/09/528485309.db2.gz	IVJYRJFVIIDUIY-QGZVFWFLSA-N	-1	0	381.388	2.695	40	30		GFEBRM
C=CCOc1ccc(N(CC(=O)[O-])S(=O)(=O)c2ccc(OCC)cc2)cc1	ZINC000224608045	570420806	/nfs/dbraw/zinc/42/08/06/570420806.db2.gz	YJVWOULLEQVBII-UHFFFAOYSA-N	-1	0	391.445	2.930	40	30		GFEBRM
N#CCOc1ccccc1/C=C1/C(=O)[N-]N(c2ccc(Br)cc2)C1=O	ZINC000005945755	570462589	/nfs/dbraw/zinc/46/25/89/570462589.db2.gz	QSIBSSNXNJETDZ-PTNGSMBKSA-N	-1	0	398.216	2.813	40	30		GFEBRM
COC(=O)C=C1SC(=N[N-]c2nc(C)cc(C)n2)N(c2ccccc2)C1=O	ZINC000036624786	570566121	/nfs/dbraw/zinc/56/61/21/570566121.db2.gz	PWNSRJWCCFCGGK-LXAFVMJESA-N	-1	0	383.433	2.613	40	30		GFEBRM
N#Cc1c(SCC(=O)Nc2ccc(C#N)cc2)sc2c1[nH]c(=O)cc2[O-]	ZINC000004945452	570646138	/nfs/dbraw/zinc/64/61/38/570646138.db2.gz	DWZFANGNAPTYSP-UHFFFAOYSA-N	-1	0	382.426	2.769	40	30		GFEBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OCC#N)C2=O)cc1C	ZINC000408812688	231117574	/nfs/dbraw/zinc/11/75/74/231117574.db2.gz	PIXBYJIYGJLXCW-SFQUDFHCSA-N	-1	0	375.384	2.872	40	30		GFEBRM
C=CCNS(=O)(=O)c1cc(C(=O)[O-])ccc1NCCc1ccc(OC)cc1	ZINC000217437922	212113975	/nfs/dbraw/zinc/11/39/75/212113975.db2.gz	JETVDZODSRVYKY-UHFFFAOYSA-N	-1	0	390.461	2.512	40	30		GFEBRM
C=CCN1C(=O)/C(=C/c2ccc(O[C@H](C)C(=O)[O-])c(OC)c2)SC1=S	ZINC000409016032	526390333	/nfs/dbraw/zinc/39/03/33/526390333.db2.gz	UDJZKGPOOXRRBY-AHEVQNHNSA-N	-1	0	379.459	2.934	40	30		GFEBRM
C=CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc1OC	ZINC000409374239	526834365	/nfs/dbraw/zinc/83/43/65/526834365.db2.gz	ZIVCRGJRPUFXEB-XNTDXEJSSA-N	-1	0	382.372	2.515	40	30		GFEBRM
CC(=O)Nc1ccc(Nc2cc(-c3ccncc3)nc(NCC(=O)[O-])n2)cc1	ZINC000328995892	570211234	/nfs/dbraw/zinc/21/12/34/570211234.db2.gz	JIYFSZFVQRDTFI-UHFFFAOYSA-N	-1	0	378.392	2.809	40	30		GFEBRM
C=CCOc1ccc([N-]S(=O)(=O)c2nnc(NC(=O)C(C)(C)C)s2)cc1	ZINC000224318413	570393000	/nfs/dbraw/zinc/39/30/00/570393000.db2.gz	AAFMODZOFSQIQO-UHFFFAOYSA-N	-1	0	396.494	2.888	40	30		GFEBRM
Cc1ccc(C(=O)NN2C(=O)[C@@H](CC(=O)[O-])S/C2=N\c2ccccc2)cc1	ZINC000005794103	570456963	/nfs/dbraw/zinc/45/69/63/570456963.db2.gz	FYQPDDBJZHNJOK-MVZUJROASA-N	-1	0	383.429	2.746	40	30		GFEBRM
CO/N=C(/C(=O)[O-])c1csc(/N=C/c2cc(OC)c(OC)c(OC)c2)c1	ZINC000006180800	571073579	/nfs/dbraw/zinc/07/35/79/571073579.db2.gz	IMUZHLWZIUUWJX-OSJOWCBESA-N	-1	0	378.406	2.960	40	30		GFEBRM
Cc1nc([N-]S(C)(=O)=O)sc1C(=O)Nc1ccc(C2(C#N)CC2)cc1	ZINC000225876359	231036071	/nfs/dbraw/zinc/03/60/71/231036071.db2.gz	STABWQLILRUZDV-UHFFFAOYSA-N	-1	0	376.463	2.631	40	30		GFEBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=CNc3cc([N+](=O)[O-])ccc3C)C2=O)cc1	ZINC000408534869	231053501	/nfs/dbraw/zinc/05/35/01/231053501.db2.gz	MTGDLTXGDUHGFE-OAHLLOKOSA-N	-1	0	380.360	2.813	40	30		GFEBRM
Cc1ccc(N2C(=O)C(=CNc3cccc([N+](=O)[O-])c3)C(=O)[N-]C2=S)cc1	ZINC000408754015	231111917	/nfs/dbraw/zinc/11/19/17/231111917.db2.gz	LMTXZRLDSWFOIR-GDXCHIGESA-N	-1	0	382.401	2.670	40	30		GFEBRM
Cc1c(C=Nn2c(=O)[nH]c3ccccc3c2=O)c2ccccc2n1[C@H](C)C(=O)[O-]	ZINC000409358285	231196045	/nfs/dbraw/zinc/19/60/45/231196045.db2.gz	LEMOUGWJJNRWGU-CYBMUJFWSA-N	-1	0	390.399	2.893	40	30		GFEBRM
CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC#N)cc3)C2=O)cc1	ZINC000408984053	529662051	/nfs/dbraw/zinc/66/20/51/529662051.db2.gz	HVTXLXZBRACCCJ-AQTBWJFISA-N	-1	0	375.384	2.818	40	30		GFEBRM
COc1cccc(N2C(=O)[N-]C(=O)C(=CNc3cc(Cl)ccc3C#N)C2=O)c1	ZINC000408537269	533574555	/nfs/dbraw/zinc/57/45/55/533574555.db2.gz	UVWCCAIXXIOPFO-OAHLLOKOSA-N	-1	0	396.790	2.822	40	30		GFEBRM
COc1cccc(N2C(=O)[N-]C(=O)C(=CNc3cc(Cl)ccc3C#N)C2=O)c1	ZINC000408537268	533574904	/nfs/dbraw/zinc/57/49/04/533574904.db2.gz	UVWCCAIXXIOPFO-HNNXBMFYSA-N	-1	0	396.790	2.822	40	30		GFEBRM
O=C1Nc2ccc(Br)cc2/C1=N\N=C\c1ccc([O-])c([N+](=O)[O-])c1	ZINC000083327191	527089455	/nfs/dbraw/zinc/08/94/55/527089455.db2.gz	CPOJWCRVLFEHQU-REZTVBANSA-N	-1	0	389.165	2.838	40	30		GFEBRM
O=C([O-])CNc1nc(Nc2c(F)cccc2C(F)(F)F)cc(C(F)(F)F)n1	ZINC000329040767	570214320	/nfs/dbraw/zinc/21/43/20/570214320.db2.gz	SFEDJNXFUMYJPI-UHFFFAOYSA-N	-1	0	398.238	2.737	40	30		GFEBRM
C=CCNC(=O)COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1	ZINC000006185900	570346827	/nfs/dbraw/zinc/34/68/27/570346827.db2.gz	CREYUHRDALOWTC-UHFFFAOYSA-N	-1	0	380.853	2.822	40	30		GFEBRM
COc1nccnc1[N-]S(=O)(=O)c1ccc(NC=C2CCCCC2=O)cc1	ZINC000100548239	570709162	/nfs/dbraw/zinc/70/91/62/570709162.db2.gz	GIIPQKDSEMIYBO-OUKQBFOZSA-N	-1	0	388.449	2.725	40	30		GFEBRM
CCNC(=S)N/N=C/c1cc(Br)cc(Br)c1[O-]	ZINC000006154285	570738626	/nfs/dbraw/zinc/73/86/26/570738626.db2.gz	PZLNDRPABDGZQI-LHHJGKSTSA-N	-1	0	381.093	2.735	40	30		GFEBRM
COc1cccc(N2C(=O)[N-]C(=O)C(=CNc3cc([N+](=O)[O-])ccc3C)C2=O)c1	ZINC000408533024	533574866	/nfs/dbraw/zinc/57/48/66/533574866.db2.gz	JBCHXFXWOJDHGJ-OAHLLOKOSA-N	-1	0	396.359	2.513	40	30		GFEBRM
COc1cccc(N2CCN(C3=NC4(CCCCCC4)C(C#N)=C([O-])N3)CC2)c1	ZINC000010342444	136199407	/nfs/dbraw/zinc/19/94/07/136199407.db2.gz	DNWJONSTHXEIPF-LJQANCHMSA-N	-1	0	395.507	2.536	40	30		GFEBRM
O=C1[N-]C(=O)N(c2cccc(C(F)(F)F)c2)C(=O)C1=CNCc1ccccn1	ZINC000408534997	231054422	/nfs/dbraw/zinc/05/44/22/231054422.db2.gz	NEKAXVLONGSRKG-GGPGUOJZSA-N	-1	0	390.321	2.570	40	30		GFEBRM
COc1cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)ccc1OCC(=O)[O-]	ZINC000409037219	231149138	/nfs/dbraw/zinc/14/91/38/231149138.db2.gz	MELOKUSXALIBSX-SQFVCTCFSA-N	-1	0	392.227	2.873	40	30		GFEBRM
Cc1cc(C(=O)[O-])ccc1/N=C/c1ccc(OCC(=O)N2CCOCC2)cc1	ZINC000409221520	231183354	/nfs/dbraw/zinc/18/33/54/231183354.db2.gz	RLTRFDIKGYMQKR-LPYMAVHISA-N	-1	0	382.416	2.681	40	30		GFEBRM
C[C@H](C(=O)[O-])n1cc(C=Nn2c(=O)[nH]c3ccccc3c2=O)c2ccccc21	ZINC000409363456	231195357	/nfs/dbraw/zinc/19/53/57/231195357.db2.gz	WRKFGGSVNPDPTK-GFCCVEGCSA-N	-1	0	376.372	2.585	40	30		GFEBRM
C=CCOc1ccc(N(CC(=O)[O-])S(=O)(=O)c2ccc(OC)c(F)c2)cc1	ZINC000225118287	519035353	/nfs/dbraw/zinc/03/53/53/519035353.db2.gz	YAHBVTVHSOFPHD-UHFFFAOYSA-N	-1	0	395.408	2.679	40	30		GFEBRM
O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)C1=CNCc1ccco1	ZINC000408533722	534783773	/nfs/dbraw/zinc/78/37/73/534783773.db2.gz	KOXGYMXBCQENAA-OCTXWABXSA-N	-1	0	390.193	2.512	40	30		GFEBRM
O=C([O-])CN1C(=O)C(=C2SC(=Nc3ccc(O)cc3)NC2=O)c2ccccc21	ZINC000035397545	527611132	/nfs/dbraw/zinc/61/11/32/527611132.db2.gz	OAEKJLGYNXTNAC-NXVVXOECSA-N	-1	0	395.396	2.926	40	30		GFEBRM
COc1cccc(NC(=O)CSc2sc3c([nH]c(=O)cc3[O-])c2C#N)c1	ZINC000004945705	570646080	/nfs/dbraw/zinc/64/60/80/570646080.db2.gz	BJJYCXGFGIHFDN-UHFFFAOYSA-N	-1	0	387.442	2.906	40	30		GFEBRM
Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OCC#N)C2=O)c1	ZINC000408776646	570682230	/nfs/dbraw/zinc/68/22/30/570682230.db2.gz	YEVWSESDAIQBQQ-SFQUDFHCSA-N	-1	0	375.384	2.872	40	30		GFEBRM
COc1cc(C)c2c(=O)c3c(O)c4c(c([O-])c3oc2c1)C(=O)C(OC)=CC4=O	ZINC000005765165	212116307	/nfs/dbraw/zinc/11/63/07/212116307.db2.gz	ZOQMSOSJEWBMHP-UHFFFAOYSA-N	-1	0	382.324	2.584	40	30	in-vitro	GFEBRM
COc1ccc(OC)c(NC=C2C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)c1	ZINC000408531230	532967096	/nfs/dbraw/zinc/96/70/96/532967096.db2.gz	GNWHYWVASQBYNZ-HNNXBMFYSA-N	-1	0	381.388	2.614	40	30		GFEBRM
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)ccc1OCC#N	ZINC000408784416	533473279	/nfs/dbraw/zinc/47/32/79/533473279.db2.gz	SIDODTTWNDJPGK-LFIBNONCSA-N	-1	0	391.383	2.572	40	30		GFEBRM
C#CCOc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)cc1OC	ZINC000408871414	527091710	/nfs/dbraw/zinc/09/17/10/527091710.db2.gz	ZAWPXQPQQYIEIV-KAMYIIQDSA-N	-1	0	394.358	2.513	40	30		GFEBRM
C=CCSc1nnc([N-]S(=O)(=O)c2cc(C(=O)OC)ccc2C)s1	ZINC000224004404	553057495	/nfs/dbraw/zinc/05/74/95/553057495.db2.gz	RZJUIJCVRQSLGS-UHFFFAOYSA-N	-1	0	385.492	2.712	40	30		GFEBRM
Cc1ccc(C(=O)NN2C(=O)[C@H](CC(=O)[O-])S/C2=N\c2ccccc2)cc1	ZINC000005794099	570456924	/nfs/dbraw/zinc/45/69/24/570456924.db2.gz	FYQPDDBJZHNJOK-DNTCVELPSA-N	-1	0	383.429	2.746	40	30		GFEBRM
COc1cc(/C=N/N=C2/NC(=O)/C(=C\c3ccccc3)S2)c([O-])c([N+](=O)[O-])c1	ZINC000059488909	570658599	/nfs/dbraw/zinc/65/85/99/570658599.db2.gz	XSEBLTPNRJSVSU-DJMLMYFYSA-N	-1	0	398.400	2.903	40	30		GFEBRM
Cc1sc(NC(=O)CSc2nc3[nH]c(=O)cc([O-])c3s2)c(C#N)c1C	ZINC000004945694	205756835	/nfs/dbraw/zinc/75/68/35/205756835.db2.gz	CAKVLRDBJIBYSE-UHFFFAOYSA-N	-1	0	392.487	2.971	40	30		GFEBRM
COc1cc(C=NNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c([O-])c([N+](=O)[O-])c1	ZINC000105637670	533482278	/nfs/dbraw/zinc/48/22/78/533482278.db2.gz	HCURLXBDXWVZOA-VIZOYTHASA-N	-1	0	377.269	2.571	40	30		GFEBRM
CC(C)C1=C([O-])C2=C(C(=O)C1=O)[C@@]1(C)CCCC(C)(C)[C@@H]1[C@@H](O)[C@H]2OC=O	ZINC000073371761	519558624	/nfs/dbraw/zinc/55/86/24/519558624.db2.gz	YWAFSTAPSPQVPP-VNYTWHDVSA-N	-1	0	376.449	2.652	40	30		GFEBRM
CCOC(=O)c1cccc(NC=C2C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)c1	ZINC000408538061	528248608	/nfs/dbraw/zinc/24/86/08/528248608.db2.gz	YTJUCIKYAPJLON-CQSZACIVSA-N	-1	0	397.362	2.604	40	30		GFEBRM
CCOc1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc1	ZINC000408538029	528484962	/nfs/dbraw/zinc/48/49/62/528484962.db2.gz	YOFSALNNHLRKCP-KRWDZBQOSA-N	-1	0	381.388	2.695	40	30		GFEBRM
COc1ccc(N2CCN(C3=NC4(CCCCCC4)C(C#N)=C([O-])N3)CC2)cc1	ZINC000010342439	536693299	/nfs/dbraw/zinc/69/32/99/536693299.db2.gz	LQNKOXUQAPPSST-IBGZPJMESA-N	-1	0	395.507	2.536	40	30		GFEBRM
C=CCNc1ccc(S(=O)(=O)NCCc2ccc(OC)cc2)cc1C(=O)[O-]	ZINC000217618468	570371603	/nfs/dbraw/zinc/37/16/03/570371603.db2.gz	ULAXUULTEAZAPY-UHFFFAOYSA-N	-1	0	390.461	2.512	40	30		GFEBRM
CCCCCCCCCCCC(=O)O[C@@H]1CS(=O)(=O)C[C@H]1S(=O)(=O)[O-]	ZINC000100500108	519983517	/nfs/dbraw/zinc/98/35/17/519983517.db2.gz	RCJRJPPOMCHVHQ-HUUCEWRRSA-N	-1	0	398.543	2.504	40	30		GFEBRM
O=C([O-])c1cccc(/N=C/c2cn(CC(=O)N3CCOCC3)c3ccccc23)c1	ZINC000408962230	534547652	/nfs/dbraw/zinc/54/76/52/534547652.db2.gz	RDENHVCNWKDEBB-YDZHTSKRSA-N	-1	0	391.427	2.949	40	30		GFEBRM
Cc1ccccc1NC(=O)Cc1csc([N-]N=C2C(=O)Nc3ccccc32)n1	ZINC000017221920	525244122	/nfs/dbraw/zinc/24/41/22/525244122.db2.gz	AUPRAOINUDCVGL-UHFFFAOYSA-N	-1	0	391.456	2.823	40	30		GFEBRM
CCOC(=O)c1cccc(NC=C2C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)c1	ZINC000408531383	528247958	/nfs/dbraw/zinc/24/79/58/528247958.db2.gz	GVDOWHKLQYUEDS-MRXNPFEDSA-N	-1	0	393.399	2.773	40	30		GFEBRM
COC(=O)C1=CC(=O)C=C(OC)[C@]12Oc1c(c([O-])c(Cl)c(C)c1Cl)C2=O	ZINC000003203135	570419140	/nfs/dbraw/zinc/41/91/40/570419140.db2.gz	LUBKKVGXMXTXOZ-QGZVFWFLSA-N	-1	0	399.182	2.534	40	30		GFEBRM
N#CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1	ZINC000408773616	570682726	/nfs/dbraw/zinc/68/27/26/570682726.db2.gz	VWGAYGRBJUQKRQ-LFIBNONCSA-N	-1	0	381.775	2.909	40	30		GFEBRM
O=[N+]([O-])c1cc(/C=N/NC(F)(F)C(F)(F)C(F)(F)F)cc([N+](=O)[O-])c1[O-]	ZINC000409030960	231149392	/nfs/dbraw/zinc/14/93/92/231149392.db2.gz	FVUPCBLEXMUSCV-JFQJCAQQSA-N	-1	0	394.159	2.923	40	30		GFEBRM
COC(=O)C1=CC(=O)C=C(OC)[C@@]12Oc1c(c([O-])c(Cl)c(C)c1Cl)C2=O	ZINC000003203133	203793595	/nfs/dbraw/zinc/79/35/95/203793595.db2.gz	LUBKKVGXMXTXOZ-KRWDZBQOSA-N	-1	0	399.182	2.534	40	30		GFEBRM
COc1ccc(C(=O)C2=C(O)C(=O)N(CCCC(=O)[O-])[C@@H]2c2cccnc2)cc1	ZINC000019973519	523549096	/nfs/dbraw/zinc/54/90/96/523549096.db2.gz	VYAZCERYXSNPCR-GOSISDBHSA-N	-1	0	396.399	2.533	40	30		GFEBRM
C#CCOc1ccc(Cl)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(O)cc2)C1=O	ZINC000408805828	527106432	/nfs/dbraw/zinc/10/64/32/527106432.db2.gz	LTFUYYXYBKKDER-LFIBNONCSA-N	-1	0	396.786	2.724	40	30		GFEBRM
O=C([O-])CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1cccnc1	ZINC000019973419	527584999	/nfs/dbraw/zinc/58/49/99/527584999.db2.gz	HJNDNBZKQLUTKI-QGZVFWFLSA-N	-1	0	384.363	2.664	40	30		GFEBRM
COC(=O)c1ccc(N=Nc2c(C)[n-]n(-c3ccc([N+](=O)[O-])cc3)c2=O)cc1	ZINC000004673253	570636147	/nfs/dbraw/zinc/63/61/47/570636147.db2.gz	WIXFZKNYTQEESX-SILNSSARSA-N	-1	0	381.348	2.572	40	30		GFEBRM
CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OCC#N)C2=O)cc1	ZINC000408993714	570691898	/nfs/dbraw/zinc/69/18/98/570691898.db2.gz	XEIGQDLUFWKBGW-LGMDPLHJSA-N	-1	0	375.384	2.818	40	30		GFEBRM
Nn1cn[n-]c1=N/N=C\c1cc(Cl)ccc1OCc1c(F)cccc1Cl	ZINC000409332180	231191031	/nfs/dbraw/zinc/19/10/31/231191031.db2.gz	COXUCYXLHGBJDO-YXSASFKJSA-N	-1	0	395.225	2.885	40	30		GFEBRM
COc1ccc(CNC=C2C(=O)[N-]C(=S)N(c3ccc(C)cc3)C2=O)cc1	ZINC000408761779	570471291	/nfs/dbraw/zinc/47/12/91/570471291.db2.gz	BLRVOQDLAHGNPV-KKJJZKEWSA-N	-1	0	381.457	2.639	40	30		GFEBRM
N#CCOc1ccccc1C=C1C(=O)[N-]C(=O)N(c2ccc3c(c2)OCO3)C1=O	ZINC000059104946	570649787	/nfs/dbraw/zinc/64/97/87/570649787.db2.gz	KDBIEUAINORQIN-NTEUORMPSA-N	-1	0	391.339	2.824	40	30		GFEBRM
C#CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)cc1OC	ZINC000006479401	571044897	/nfs/dbraw/zinc/04/48/97/571044897.db2.gz	BQTLCIJFLNBJDE-FOWTUZBSSA-N	-1	0	390.395	2.682	40	30		GFEBRM
Cc1ccc(N2C(=O)C(=CNc3ccc(N(C)C)cc3)C(=O)[N-]C2=S)cc1	ZINC000408763238	231113183	/nfs/dbraw/zinc/11/31/83/231113183.db2.gz	IIWLAEROZPNCEH-RHLNUJDMSA-N	-1	0	380.473	2.827	40	30		GFEBRM
O=c1[nH]c2ccc(/N=C/c3cc([N+](=O)[O-])cc(Br)c3[O-])cc2[nH]1	ZINC000004737347	204070580	/nfs/dbraw/zinc/07/05/80/204070580.db2.gz	CUKXOCQZRSHVDJ-OMCISZLKSA-N	-1	0	377.154	2.983	40	30		GFEBRM
Cc1c(/N=C/c2c([O-])c3ccccc3n(C)c2=O)c(=O)n(-c2ccccc2)n1C	ZINC000102478549	525522344	/nfs/dbraw/zinc/52/23/44/525522344.db2.gz	YRAREZRGRFKPBC-YDZHTSKRSA-N	-1	0	388.427	2.793	40	30		GFEBRM
C=CCc1cc(C=C2C(=O)[N-]C(=O)NC2=O)cc(OC)c1OCc1ccccc1	ZINC000409072566	527235009	/nfs/dbraw/zinc/23/50/09/527235009.db2.gz	SWJWRTOFDLDXGE-UHFFFAOYSA-N	-1	0	392.411	2.752	40	30		GFEBRM
O=C([O-])CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccccn1	ZINC000019973421	527584181	/nfs/dbraw/zinc/58/41/81/527584181.db2.gz	KLMLWIVNGXNDPF-QGZVFWFLSA-N	-1	0	384.363	2.664	40	30		GFEBRM
C=CCOc1ccc(N(CC(=O)[O-])S(=O)(=O)c2ccc(OC)c(C)c2)cc1	ZINC000224660139	570423312	/nfs/dbraw/zinc/42/33/12/570423312.db2.gz	LUYODOKSSXCTNW-UHFFFAOYSA-N	-1	0	391.445	2.848	40	30		GFEBRM
CS[C@@H]1C(C(=O)c2ccc(Br)cc2)C(=CC(=O)[O-])C(=O)N1C	ZINC000062716215	654847589	/nfs/dbraw/zinc/84/75/89/654847589.db2.gz	ASKOYPFISIGMFI-OAHLLOKOSA-N	-1	0	384.251	2.564	40	30		GFEBRM
CCOC(=O)NCCc1ccc(S(=O)([O-])=NC(=O)NC2CCCCC2)cc1	ZINC000077287243	520987993	/nfs/dbraw/zinc/98/79/93/520987993.db2.gz	OIJHHAAHXNZKKC-UHFFFAOYSA-N	-1	0	397.497	2.500	40	30	in-vitro	GFEBRM
C/N=C1/S/C(=C/c2cc(Cl)c(OCC(=O)[O-])c(Cl)c2)C(=O)N1C	ZINC000408929575	526416356	/nfs/dbraw/zinc/41/63/56/526416356.db2.gz	LCWNYFJFCKKWNS-YMZCBZSWSA-N	-1	0	375.233	2.989	40	30		GFEBRM
CCOc1cc(CN=Nc2ncccc2[N+](=O)[O-])cc(Cl)c1OCC(=O)[O-]	ZINC000409100070	528199981	/nfs/dbraw/zinc/19/99/81/528199981.db2.gz	URCBMHIXKLKMFY-UFWORHAWSA-N	-1	0	394.771	2.951	40	30		GFEBRM
CC/N=C1\S/C(=C\c2cccc(OC)c2O[C@H](C)C(=O)[O-])C(=O)N1CC	ZINC000409240599	528829765	/nfs/dbraw/zinc/82/97/65/528829765.db2.gz	UPJGOLDZCZKXOE-UNSBTLJYSA-N	-1	0	378.450	2.859	40	30		GFEBRM
CCOC(=O)Nc1cc(N[C@H](C)/C(=N\[O-])c2ccccc2)c([N+](=O)[O-])c(N)n1	ZINC000104237501	570299833	/nfs/dbraw/zinc/29/98/33/570299833.db2.gz	QJICHFZOOUCRLU-CONVLBPTSA-N	-1	0	388.384	2.819	40	30		GFEBRM
Cc1cccc(N2C(=O)[N-]C(=O)C(=CNc3cc([N+](=O)[O-])ccc3C)C2=O)c1	ZINC000408530353	231051509	/nfs/dbraw/zinc/05/15/09/231051509.db2.gz	FCYHCTQMPJLMNA-HNNXBMFYSA-N	-1	0	380.360	2.813	40	30		GFEBRM
COc1cccc(N2C(=O)[N-]C(=O)C(=CNc3cc([N+](=O)[O-])ccc3C)C2=O)c1	ZINC000408533020	533574605	/nfs/dbraw/zinc/57/46/05/533574605.db2.gz	JBCHXFXWOJDHGJ-HNNXBMFYSA-N	-1	0	396.359	2.513	40	30		GFEBRM
COc1ccccc1CNC=C1C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O	ZINC000408537727	533984189	/nfs/dbraw/zinc/98/41/89/533984189.db2.gz	WUPRUTZTJLDXRB-SYZMQFJCSA-N	-1	0	385.807	2.819	40	30		GFEBRM
COc1ccc(N2C(=O)[N-]C(=O)C(=CNc3cc(Cl)ccc3C#N)C2=O)cc1	ZINC000408530964	533997000	/nfs/dbraw/zinc/99/70/00/533997000.db2.gz	GBXNXDZKBRHEQS-OAHLLOKOSA-N	-1	0	396.790	2.822	40	30		GFEBRM
Cc1cc(N=NCc2ccccc2)nc([N-]S(=O)(=O)c2ccc(N)cc2)n1	ZINC000034377783	525048328	/nfs/dbraw/zinc/04/83/28/525048328.db2.gz	CUEMRUIYAQIOSB-NDENLUEZSA-N	-1	0	382.449	2.614	40	30		GFEBRM
C=CCN1C(=O)/C(=C/c2cccc(OC)c2O[C@H](C)C(=O)[O-])SC1=S	ZINC000409250316	526390069	/nfs/dbraw/zinc/39/00/69/526390069.db2.gz	XACZFANYEJDABE-PEHNMLCRSA-N	-1	0	379.459	2.934	40	30		GFEBRM
CS[C@H]1C(C(=O)c2ccc(Br)cc2)C(=CC(=O)[O-])C(=O)N1C	ZINC000062716216	654847626	/nfs/dbraw/zinc/84/76/26/654847626.db2.gz	ASKOYPFISIGMFI-HNNXBMFYSA-N	-1	0	384.251	2.564	40	30		GFEBRM
COc1cc(/C=N/Nc2nc(=O)c(C)n[n-]2)ccc1OCc1ccccc1C	ZINC000004422809	521996847	/nfs/dbraw/zinc/99/68/47/521996847.db2.gz	MPVIRPLVAIRTJK-SRZZPIQSSA-N	-1	0	379.420	2.815	40	30		GFEBRM
CCc1nn2c(ncc3c(=O)n([C@H](CS)C(=O)[O-])ccc32)c1-c1ccccc1	ZINC000040387897	522712095	/nfs/dbraw/zinc/71/20/95/522712095.db2.gz	WMTAYECXZNFTOZ-MRXNPFEDSA-N	-1	0	394.456	2.829	40	30		GFEBRM
O=C1Nc2ccc(Br)cc2/C1=N/N=C/c1cccc([N+](=O)[O-])c1[O-]	ZINC000036617111	570892982	/nfs/dbraw/zinc/89/29/82/570892982.db2.gz	RWGWYQFQFCGLJH-REZTVBANSA-N	-1	0	389.165	2.838	40	30		GFEBRM
O=C1[N-]C(=O)N(c2cccc(C(F)(F)F)c2)C(=O)C1=CNc1cccnc1	ZINC000408533690	231052503	/nfs/dbraw/zinc/05/25/03/231052503.db2.gz	KMGPNZBVFQYHDD-ZDUSSCGKSA-N	-1	0	376.294	2.702	40	30		GFEBRM
Cc1cc([N+](=O)[O-])ccc1NC=C1C(=O)[N-]C(=S)N(c2ccccc2)C1=O	ZINC000408740416	231109548	/nfs/dbraw/zinc/10/95/48/231109548.db2.gz	KFEMCGZNTSBTIK-FVOVHSBVSA-N	-1	0	382.401	2.670	40	30		GFEBRM
C=CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1	ZINC000408944716	526833490	/nfs/dbraw/zinc/83/34/90/526833490.db2.gz	UUVGJCSBUPOGOY-SFQUDFHCSA-N	-1	0	393.355	2.826	40	30		GFEBRM
O=C([O-])CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1cccnc1	ZINC000019973418	527584413	/nfs/dbraw/zinc/58/44/13/527584413.db2.gz	HJNDNBZKQLUTKI-KRWDZBQOSA-N	-1	0	384.363	2.664	40	30		GFEBRM
CCOC(=O)c1cccc(NC=C2C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c1	ZINC000408535639	528248350	/nfs/dbraw/zinc/24/83/50/528248350.db2.gz	OIOQJQUGKSDCPU-QGZVFWFLSA-N	-1	0	393.399	2.773	40	30		GFEBRM
O=[N+]([O-])c1cc(Br)c([O-])c(CN=Nc2ncccc2[N+](=O)[O-])c1	ZINC000409071171	231154199	/nfs/dbraw/zinc/15/41/99/231154199.db2.gz	IIDXJRQBPRJYRK-GIDUJCDVSA-N	-1	0	382.130	2.812	40	30		GFEBRM
O=C([O-])COc1ccc2ccccc2c1C=Nn1c(=O)[nH]c2ccccc2c1=O	ZINC000409358096	231195975	/nfs/dbraw/zinc/19/59/75/231195975.db2.gz	KFCHTIFCKYZBFZ-UHFFFAOYSA-N	-1	0	389.367	2.601	40	30		GFEBRM
COC(=O)c1cccc(NC=C2C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c1	ZINC000408536881	534268185	/nfs/dbraw/zinc/26/81/85/534268185.db2.gz	SYDYEOCYOPWYNP-OAHLLOKOSA-N	-1	0	399.790	2.728	40	30		GFEBRM
Cc1cc(N=NCc2ccc(O)cc2)nc([N-]S(=O)(=O)c2ccccc2)n1	ZINC000100147178	525047502	/nfs/dbraw/zinc/04/75/02/525047502.db2.gz	GHIMYBVOYLWWGQ-UNOMPAQXSA-N	-1	0	383.433	2.737	40	30		GFEBRM
Cc1nn2c(ncc3c(=O)n([C@H](CS)C(=O)[O-])ccc32)c1-c1ccccc1	ZINC000040396287	526312677	/nfs/dbraw/zinc/31/26/77/526312677.db2.gz	OTLKEZIYLNPNTQ-OAHLLOKOSA-N	-1	0	380.429	2.575	40	30		GFEBRM
C=CCN1C(=O)/C(=C/c2ccc(-c3cccc(C(=O)[O-])c3C)o2)C(=O)NC1=S	ZINC000408903361	526389552	/nfs/dbraw/zinc/38/95/52/526389552.db2.gz	RNSPAOKOIOFPJX-XNTDXEJSSA-N	-1	0	396.424	2.766	40	30		GFEBRM
CCOC(=O)c1ccc(NC=C2C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc1	ZINC000408739619	528196164	/nfs/dbraw/zinc/19/61/64/528196164.db2.gz	DFTKOBMXCZEYQK-SVZNOHIVSA-N	-1	0	395.440	2.630	40	30		GFEBRM
COc1ccc(OC)c(NC=C2C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)c1	ZINC000408528071	532966746	/nfs/dbraw/zinc/96/67/46/532966746.db2.gz	ARMPWQJIWHCGLK-AWEZNQCLSA-N	-1	0	381.388	2.614	40	30		GFEBRM
COC(=O)c1cccc(NC=C2C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c1	ZINC000408536880	534268817	/nfs/dbraw/zinc/26/88/17/534268817.db2.gz	SYDYEOCYOPWYNP-HNNXBMFYSA-N	-1	0	399.790	2.728	40	30		GFEBRM
Cc1nn2c(ncc3c(=O)n([C@@H](CS)C(=O)[O-])ccc32)c1-c1ccc(F)cc1	ZINC000040396974	526313020	/nfs/dbraw/zinc/31/30/20/526313020.db2.gz	YIZOMKWKZUOLQW-HNNXBMFYSA-N	-1	0	398.419	2.714	40	30		GFEBRM
C=CCOc1cccc(/C=C2/C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)c1	ZINC000408938667	526895734	/nfs/dbraw/zinc/89/57/34/526895734.db2.gz	QXSGVMJBCWEFBX-BOPFTXTBSA-N	-1	0	393.355	2.826	40	30		GFEBRM
C=CCNc1ccc(C(=O)[O-])cc1S(=O)(=O)NCCc1ccc(OC)cc1	ZINC000217485530	570369696	/nfs/dbraw/zinc/36/96/96/570369696.db2.gz	UXVJPAYBASBVED-UHFFFAOYSA-N	-1	0	390.461	2.512	40	30		GFEBRM
CC(=O)c1cccc(NC=C2C(=O)[N-]C(=S)N(c3ccc(C)cc3)C2=O)c1	ZINC000408755018	570544960	/nfs/dbraw/zinc/54/49/60/570544960.db2.gz	PLEYLYKYTLSDKL-QREGZJMFSA-N	-1	0	379.441	2.964	40	30		GFEBRM
O=C1[N-]C(=O)N(c2cccc(C(F)(F)F)c2)C(=O)C1=CNCc1ccccn1	ZINC000408535002	231053884	/nfs/dbraw/zinc/05/38/84/231053884.db2.gz	NEKAXVLONGSRKG-KHAGQWAKSA-N	-1	0	390.321	2.570	40	30		GFEBRM
O=C1[N-]C(=O)N(c2cccc(C(F)(F)F)c2)C(=O)C1=CNCc1ccccn1	ZINC000408534999	231054217	/nfs/dbraw/zinc/05/42/17/231054217.db2.gz	NEKAXVLONGSRKG-ISNLTARASA-N	-1	0	390.321	2.570	40	30		GFEBRM
CC1CCC2(CC1)N=C(N1CCN(c3ccccc3F)CC1)NC([O-])=C2C#N	ZINC000020636744	520967463	/nfs/dbraw/zinc/96/74/63/520967463.db2.gz	MCPFAUZUILHLKI-ZGOJQLDESA-N	-1	0	383.471	2.522	40	30		GFEBRM
COc1ccc([N+](=O)[O-])cc1NC=C1C(=O)[N-]C(=O)N(c2cccc(C)c2)C1=O	ZINC000408536916	231054706	/nfs/dbraw/zinc/05/47/06/231054706.db2.gz	UABYSEAWGUFOFW-AWEZNQCLSA-N	-1	0	396.359	2.513	40	30		GFEBRM
COc1ccc(C=NNc2nnc3c(n2)[nH]c2ccccc23)c(C(=O)[O-])c1OC	ZINC000033941427	523462266	/nfs/dbraw/zinc/46/22/66/523462266.db2.gz	IOANHMBLSMAYNZ-UKWGHVSLSA-N	-1	0	392.375	2.668	40	30		GFEBRM
CCOC(=O)Nc1cc(N[C@@H](C)/C(=N\[O-])c2ccccc2)c([N+](=O)[O-])c(N)n1	ZINC000104237496	570299793	/nfs/dbraw/zinc/29/97/93/570299793.db2.gz	QJICHFZOOUCRLU-ADUAYUHLSA-N	-1	0	388.384	2.819	40	30		GFEBRM
CC(C)C1=C([O-])C2=C(C(=O)C1=O)[C@@]1(C)CCCC(C)(C)[C@@H]1[C@H](O)[C@@H]2OC=O	ZINC000005882003	570460160	/nfs/dbraw/zinc/46/01/60/570460160.db2.gz	YWAFSTAPSPQVPP-WERVVEIQSA-N	-1	0	376.449	2.652	40	30		GFEBRM
COc1ccc([N+](=O)[O-])cc1NC=C1C(=O)[N-]C(=O)N(c2ccc(C)cc2)C1=O	ZINC000408531919	231052807	/nfs/dbraw/zinc/05/28/07/231052807.db2.gz	HNRCSTNQKFBNFO-CQSZACIVSA-N	-1	0	396.359	2.513	40	30		GFEBRM
Cc1ccc(N2C(=O)C(=CNc3ccc([N+](=O)[O-])cc3)C(=O)[N-]C2=S)cc1	ZINC000408753416	231111963	/nfs/dbraw/zinc/11/19/63/231111963.db2.gz	IRVSXWLVKQIPEI-RPJLVFAOSA-N	-1	0	382.401	2.670	40	30		GFEBRM
CCOc1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc1	ZINC000408538030	528485286	/nfs/dbraw/zinc/48/52/86/528485286.db2.gz	YOFSALNNHLRKCP-QGZVFWFLSA-N	-1	0	381.388	2.695	40	30		GFEBRM
CCOc1cccc(CN=Nc2nc(C)cc(COC)c2C#N)c1OCC(=O)[O-]	ZINC000409213882	528627375	/nfs/dbraw/zinc/62/73/75/528627375.db2.gz	UGFHQUUJSDNBMM-YVNNLAQVSA-N	-1	0	398.419	2.716	40	30		GFEBRM
CCOc1cccc(/C=N\NC(=S)NCc2ccccc2)c1OCC(=O)[O-]	ZINC000409216298	528627840	/nfs/dbraw/zinc/62/78/40/528627840.db2.gz	JZQGYBVKUAGTJS-MTJSOVHGSA-N	-1	0	387.461	2.547	40	30		GFEBRM
[O-]c1c(Cl)cc(Cl)cc1CN=Nc1ncc(F)c(N2CCOCC2)n1	ZINC000254394183	553151982	/nfs/dbraw/zinc/15/19/82/553151982.db2.gz	GMLGUPDHGWEOAU-UHFFFAOYSA-N	-1	0	386.214	2.911	40	30		GFEBRM
CC(C)C1=C([O-])C2=C(C(=O)C1=O)[C@@]1(C)CCCC(C)(C)[C@@H]1[C@H](O)[C@H]2OC=O	ZINC000005882005	570460036	/nfs/dbraw/zinc/46/00/36/570460036.db2.gz	YWAFSTAPSPQVPP-XODKDNOYSA-N	-1	0	376.449	2.652	40	30		GFEBRM
CC(=O)c1ccc(NC=C2C(=O)[N-]C(=S)N(c3ccc(C)cc3)C2=O)cc1	ZINC000408760320	570469740	/nfs/dbraw/zinc/46/97/40/570469740.db2.gz	WQFMYIXIWLGPKL-BYINCCNUSA-N	-1	0	379.441	2.964	40	30		GFEBRM
O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)C1=CNc1cccc([N+](=O)[O-])c1	ZINC000408535567	231053534	/nfs/dbraw/zinc/05/35/34/231053534.db2.gz	ODCQXDQPCYDJIF-AWEZNQCLSA-N	-1	0	386.751	2.850	40	30		GFEBRM
O=C1Nc2ccccc2/C1=N/N=C/c1cc([N+](=O)[O-])cc(Br)c1[O-]	ZINC000002080893	209117534	/nfs/dbraw/zinc/11/75/34/209117534.db2.gz	RFBNWCYUUNNQLE-REZTVBANSA-N	-1	0	389.165	2.838	40	30		GFEBRM
COC(=O)c1ccccc1NC=C1C(=O)[N-]C(=S)N(c2ccc(C)cc2)C1=O	ZINC000408767285	534286608	/nfs/dbraw/zinc/28/66/08/534286608.db2.gz	YXHUEIGLAXKYRL-UGVMZYNRSA-N	-1	0	395.440	2.548	40	30		GFEBRM
COc1ccc(C(=O)C2=C(O)C(=O)N(CCC(=O)[O-])[C@@H]2c2ccccc2F)cc1	ZINC000019972744	523548645	/nfs/dbraw/zinc/54/86/45/523548645.db2.gz	VMIFOPVKOOSDHB-GOSISDBHSA-N	-1	0	399.374	2.887	40	30		GFEBRM
Cc1nn2c(ncc3c(=O)n([C@H](CS)C(=O)[O-])ccc32)c1-c1ccc(F)cc1	ZINC000040396976	526312441	/nfs/dbraw/zinc/31/24/41/526312441.db2.gz	YIZOMKWKZUOLQW-OAHLLOKOSA-N	-1	0	398.419	2.714	40	30		GFEBRM
C=CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc1	ZINC000408804069	526833880	/nfs/dbraw/zinc/83/38/80/526833880.db2.gz	VLISNGPOWDDBOM-QGOAFFKASA-N	-1	0	378.384	2.926	40	30		GFEBRM
C=CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1	ZINC000408809340	526834413	/nfs/dbraw/zinc/83/44/13/526834413.db2.gz	GYNXOEKBLLQTOW-GZTJUZNOSA-N	-1	0	393.355	2.826	40	30		GFEBRM
CC/N=C1\S/C(=C\c2cccc(OC)c2O[C@@H](C)C(=O)[O-])C(=O)N1CC	ZINC000409240595	528829508	/nfs/dbraw/zinc/82/95/08/528829508.db2.gz	UPJGOLDZCZKXOE-KYPWSSBXSA-N	-1	0	378.450	2.859	40	30		GFEBRM
C=CCSc1nnc([N-]S(=O)(=O)c2ccc(N3CCCC3=O)cc2)s1	ZINC000225080571	553058178	/nfs/dbraw/zinc/05/81/78/553058178.db2.gz	GTAMNKDMMKCFKV-UHFFFAOYSA-N	-1	0	396.519	2.744	40	30		GFEBRM
COC(=O)c1ccc(NC=C2C(=O)[N-]C(=S)N(c3ccc(C)cc3)C2=O)cc1	ZINC000408756922	570544658	/nfs/dbraw/zinc/54/46/58/570544658.db2.gz	VHEMYOFHWADDPC-SJJOQSKNSA-N	-1	0	395.440	2.548	40	30		GFEBRM
CC(=O)Nc1ccc(NC=C2C(=O)[N-]C(=S)N(c3ccc(C)cc3)C2=O)cc1	ZINC000408758041	570615020	/nfs/dbraw/zinc/61/50/20/570615020.db2.gz	FXSJHGJXSAZILR-QREGZJMFSA-N	-1	0	394.456	2.720	40	30		GFEBRM
Cc1ccc(NC=C2C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc1[N+](=O)[O-]	ZINC000408742702	231110888	/nfs/dbraw/zinc/11/08/88/231110888.db2.gz	XWPWLFQRWIIMNO-LEBHLANCSA-N	-1	0	382.401	2.670	40	30		GFEBRM
COc1ccc(N2C(=O)[N-]C(=O)C(=CNc3cc(Cl)ccc3C#N)C2=O)cc1	ZINC000408530960	533997214	/nfs/dbraw/zinc/99/72/14/533997214.db2.gz	GBXNXDZKBRHEQS-HNNXBMFYSA-N	-1	0	396.790	2.822	40	30		GFEBRM
CCOc1cc(/C=C2/S/C(=N/C)N(C)C2=O)cc(Cl)c1OCC(=O)[O-]	ZINC000408929726	528194975	/nfs/dbraw/zinc/19/49/75/528194975.db2.gz	NBZLNRMOJWWYQF-VNTGNJGSSA-N	-1	0	384.841	2.734	40	30		GFEBRM
CC(C)(C)NC(=O)c1csc([N-]c2nccc([C@H]3CCCN(CC#N)C3)n2)n1	ZINC000585293326	570262589	/nfs/dbraw/zinc/26/25/89/570262589.db2.gz	FBPJTZSUOZCZQX-ZDUSSCGKSA-N	-1	0	399.524	2.908	40	30		GFEBRM
N#Cc1ccc(Cl)cc1NC=C1C(=O)[N-]C(=O)N(c2ccccc2F)C1=O	ZINC000408535585	231054468	/nfs/dbraw/zinc/05/44/68/231054468.db2.gz	OEMCVZJWXWXKEV-LBPRGKRZSA-N	-1	0	384.754	2.952	40	30		GFEBRM
N#CCOc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O	ZINC000005771214	136196861	/nfs/dbraw/zinc/19/68/61/136196861.db2.gz	AIIKWJSXUUTSGQ-RVDMUPIBSA-N	-1	0	381.775	2.909	40	30		GFEBRM
CCOC(=O)Nc1cc(N[C@H](C)/C(=N/[O-])c2ccccc2)c([N+](=O)[O-])c(N)n1	ZINC000017141892	520994275	/nfs/dbraw/zinc/99/42/75/520994275.db2.gz	QJICHFZOOUCRLU-BEKPDJTOSA-N	-1	0	388.384	2.819	40	30		GFEBRM
O=C([O-])COc1ccccc1/C=N\N1CCN(Cc2ccccc2Cl)CC1	ZINC000005033154	527619508	/nfs/dbraw/zinc/61/95/08/527619508.db2.gz	DVKHZXVWGLNOBV-XKZIYDEJSA-N	-1	0	387.867	2.955	40	30		GFEBRM
Cc1[n-]n(-c2ccc(C)cc2)c(=O)c1C=NNS(=O)(=O)c1ccc(C)cc1	ZINC000005753644	570455638	/nfs/dbraw/zinc/45/56/38/570455638.db2.gz	UKICMDVNFUZMAH-UDWIEESQSA-N	-1	0	384.461	2.816	40	30		GFEBRM
CC(=O)Nc1ccc(NC=C2C(=O)[N-]C(=S)N(c3ccc(C)cc3)C2=O)cc1	ZINC000408758040	570615054	/nfs/dbraw/zinc/61/50/54/570615054.db2.gz	FXSJHGJXSAZILR-BYINCCNUSA-N	-1	0	394.456	2.720	40	30		GFEBRM
CCOc1cc(CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc([N+](=O)[O-])c1[O-]	ZINC000408936040	570686889	/nfs/dbraw/zinc/68/68/89/570686889.db2.gz	JRVIADBPHMQZID-PXNMLYILSA-N	-1	0	391.296	2.962	40	30		GFEBRM
N#Cc1ccc(COc2ccc(Cl)cc2C=C2C(=O)[N-]C(=O)NC2=O)cc1	ZINC000409144346	231171070	/nfs/dbraw/zinc/17/10/70/231171070.db2.gz	JSIYHTBXLBDGEY-UHFFFAOYSA-N	-1	0	381.775	2.540	40	30		GFEBRM
CSCC[C@@H](NOC(=O)Cc1ccccc1)[P@](=O)([O-])c1ccccc1	ZINC000001643409	209335560	/nfs/dbraw/zinc/33/55/60/209335560.db2.gz	AXKVUUYOQMFTKZ-KRWDZBQOSA-N	-1	0	379.418	2.952	40	30		GFEBRM
C#CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)cc1OC	ZINC000408915795	527092572	/nfs/dbraw/zinc/09/25/72/527092572.db2.gz	YTZVLGMVHHCLND-MHWRWJLKSA-N	-1	0	394.358	2.513	40	30		GFEBRM
Cc1cc([N+](=O)[O-])cc2c1N(C)C(=O)C2=N[N-]c1nncc(-c2ccccc2)n1	ZINC000105179826	570425811	/nfs/dbraw/zinc/42/58/11/570425811.db2.gz	AAHJJSXQFOCTLU-CJLVFECKSA-N	-1	0	389.375	2.548	40	30		GFEBRM
CC(=O)c1ccc(NC=C2C(=O)[N-]C(=S)N(c3ccc(C)cc3)C2=O)cc1	ZINC000408760321	570469692	/nfs/dbraw/zinc/46/96/92/570469692.db2.gz	WQFMYIXIWLGPKL-QREGZJMFSA-N	-1	0	379.441	2.964	40	30		GFEBRM
COc1cc(CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc([N+](=O)[O-])c1[O-]	ZINC000408936462	570687352	/nfs/dbraw/zinc/68/73/52/570687352.db2.gz	JYUWYDKFNKSQIC-CHHVJCJISA-N	-1	0	377.269	2.571	40	30		GFEBRM
C#CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)cc1OCC	ZINC000004992981	571042904	/nfs/dbraw/zinc/04/29/04/571042904.db2.gz	IVGMVAYNQNLSEB-FOWTUZBSSA-N	-1	0	382.416	2.502	40	30		GFEBRM
C=CCNS(=O)(=O)c1ccc(NCCc2ccc(OC)cc2)c(C(=O)[O-])c1	ZINC000217569051	209183813	/nfs/dbraw/zinc/18/38/13/209183813.db2.gz	QELCGRYDFXCJEO-UHFFFAOYSA-N	-1	0	390.461	2.512	40	30		GFEBRM
CCCCCCCCCCN(CCOCCOCCO)C(=O)/C=C\C(=O)[O-]	ZINC000100924201	211394278	/nfs/dbraw/zinc/39/42/78/211394278.db2.gz	OVJCKESCMVATTA-KHPPLWFESA-N	-1	0	387.517	2.622	40	30		GFEBRM
CN(C)c1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCC(=O)[O-])cc1	ZINC000019904166	522244793	/nfs/dbraw/zinc/24/47/93/522244793.db2.gz	RNLPEISIYYJUAF-LJQANCHMSA-N	-1	0	394.427	2.806	40	30		GFEBRM
O=C([N-]CCO)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F	ZINC000100494968	526342094	/nfs/dbraw/zinc/34/20/94/526342094.db2.gz	PWTGKISOHJIBPR-UHFFFAOYSA-N	-1	0	389.136	2.537	40	30		GFEBRM
C=CCN1C(=O)[C@@H](CC(=O)[O-])S/C1=N/N=C/c1ccc(N(CC)CC)cc1	ZINC000005393307	570489503	/nfs/dbraw/zinc/48/95/03/570489503.db2.gz	VMLINIPTNIGPLU-JKDJQWNCSA-N	-1	0	388.493	2.827	40	30		GFEBRM
COc1ccc(S(=O)(=O)N(CC(=O)[O-])c2ccc(CC#N)cc2)cc1Cl	ZINC000224960472	570540018	/nfs/dbraw/zinc/54/00/18/570540018.db2.gz	UNRDNTZOYFFKBN-UHFFFAOYSA-N	-1	0	394.836	2.695	40	30		GFEBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=CNc3cc([N+](=O)[O-])ccc3C)C2=O)cc1	ZINC000408534868	231053349	/nfs/dbraw/zinc/05/33/49/231053349.db2.gz	MTGDLTXGDUHGFE-HNNXBMFYSA-N	-1	0	380.360	2.813	40	30		GFEBRM
O=C1[N-]C(=O)N(c2cccc(C(F)(F)F)c2)C(=O)C1=CNCc1ccccn1	ZINC000408534988	231053434	/nfs/dbraw/zinc/05/34/34/231053434.db2.gz	NEKAXVLONGSRKG-FIEDDBFWSA-N	-1	0	390.321	2.570	40	30		GFEBRM
COc1ccc(OC)c(NC=C2C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c1	ZINC000408532997	532967355	/nfs/dbraw/zinc/96/73/55/532967355.db2.gz	IZWIYGAODDFVFO-HNNXBMFYSA-N	-1	0	381.388	2.614	40	30		GFEBRM
COc1ccccc1CNC=C1C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O	ZINC000408537728	533983101	/nfs/dbraw/zinc/98/31/01/533983101.db2.gz	WUPRUTZTJLDXRB-UGVMZYNRSA-N	-1	0	385.807	2.819	40	30		GFEBRM
COc1ccc(N2CCN(C3=NC4(CCCCCC4)C(C#N)=C([O-])N3)CC2)cc1	ZINC000010342440	536692756	/nfs/dbraw/zinc/69/27/56/536692756.db2.gz	LQNKOXUQAPPSST-LJQANCHMSA-N	-1	0	395.507	2.536	40	30		GFEBRM
N#Cc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1	ZINC000001097160	136196232	/nfs/dbraw/zinc/19/62/32/136196232.db2.gz	MNNVFKUBDWSGNN-OQLLNIDSSA-N	-1	0	396.200	2.987	40	30		GFEBRM
COc1ccccc1N1C(=O)[N-]C(=O)C(=CNc2cc([N+](=O)[O-])ccc2C)C1=O	ZINC000408527880	534130686	/nfs/dbraw/zinc/13/06/86/534130686.db2.gz	AGSFYRNLFNHNMI-ZDUSSCGKSA-N	-1	0	396.359	2.513	40	30		GFEBRM
COc1ccc(C(=O)C2=C(O)C(=O)N(CCC(=O)[O-])[C@H]2c2ccccc2F)cc1	ZINC000019972745	523549668	/nfs/dbraw/zinc/54/96/68/523549668.db2.gz	VMIFOPVKOOSDHB-SFHVURJKSA-N	-1	0	399.374	2.887	40	30		GFEBRM
O=[N+]([O-])c1ccc(Br)c(-c2ccc(CN=Nc3nnn[n-]3)o2)c1	ZINC000005568373	551097942	/nfs/dbraw/zinc/09/79/42/551097942.db2.gz	MTUAOCYVPCPMGN-MKMNVTDBSA-N	-1	0	378.146	2.576	40	30		GFEBRM
CC(C)(C)NC(=O)c1csc([N-]c2nccc([C@@H]3CCCN(CC#N)C3)n2)n1	ZINC000585293320	570262623	/nfs/dbraw/zinc/26/26/23/570262623.db2.gz	FBPJTZSUOZCZQX-CYBMUJFWSA-N	-1	0	399.524	2.908	40	30		GFEBRM
N#CCOc1ccc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc1	ZINC000006258652	570474341	/nfs/dbraw/zinc/47/43/41/570474341.db2.gz	UNEBPEOFYBQIRQ-KAMYIIQDSA-N	-1	0	381.388	2.559	40	30		GFEBRM
COc1ccc([N+](=O)[O-])cc1NC=C1C(=O)[N-]C(=O)N(c2ccc(C)cc2)C1=O	ZINC000408531917	231052799	/nfs/dbraw/zinc/05/27/99/231052799.db2.gz	HNRCSTNQKFBNFO-AWEZNQCLSA-N	-1	0	396.359	2.513	40	30		GFEBRM
O=C([O-])c1ccc(-c2ccc(C=Nn3c(=O)[nH]c4ccccc4c3=O)o2)cc1	ZINC000409360642	231195694	/nfs/dbraw/zinc/19/56/94/231195694.db2.gz	QTTCQKXTHANCQP-UHFFFAOYSA-N	-1	0	375.340	2.943	40	30		GFEBRM
Cc1c(C=Nn2c(=O)[nH]c3ccccc3c2=O)c2ccccc2n1[C@@H](C)C(=O)[O-]	ZINC000409358293	231195723	/nfs/dbraw/zinc/19/57/23/231195723.db2.gz	LEMOUGWJJNRWGU-ZDUSSCGKSA-N	-1	0	390.399	2.893	40	30		GFEBRM
COc1ccccc1CNC=C1C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O	ZINC000408537730	533983793	/nfs/dbraw/zinc/98/37/93/533983793.db2.gz	WUPRUTZTJLDXRB-ZGFXFUDXSA-N	-1	0	385.807	2.819	40	30		GFEBRM
C#CCOc1cc(OC)ccc1/C=C1\C(=O)[N-]C(=O)N(c2ccccc2C)C1=O	ZINC000408800543	527091588	/nfs/dbraw/zinc/09/15/88/527091588.db2.gz	NVGWTXYNOUKHSP-SFQUDFHCSA-N	-1	0	390.395	2.682	40	30		GFEBRM
Cc1ccc(N2C(=O)C(=CNc3ccc(C)c([N+](=O)[O-])c3)C(=O)[N-]C2=S)cc1	ZINC000408757431	570545332	/nfs/dbraw/zinc/54/53/32/570545332.db2.gz	ZVUCCYZYMHOZJD-VYXQJKENSA-N	-1	0	396.428	2.978	40	30		GFEBRM
COc1ccc([N+](=O)[O-])cc1NC=C1C(=O)[N-]C(=O)N(c2ccccc2C)C1=O	ZINC000408529778	231051025	/nfs/dbraw/zinc/05/10/25/231051025.db2.gz	DDBMLIAPUYDBNS-CYBMUJFWSA-N	-1	0	396.359	2.513	40	30		GFEBRM
COc1ccccc1N1C(=O)[N-]C(=O)C(=CNc2cc(Cl)ccc2C#N)C1=O	ZINC000408535691	534130244	/nfs/dbraw/zinc/13/02/44/534130244.db2.gz	OKZKUWBGXCLBLY-ZDUSSCGKSA-N	-1	0	396.790	2.822	40	30		GFEBRM
CC(=O)c1cccc(NC=C2C(=O)[N-]C(=S)N(c3ccc(C)cc3)C2=O)c1	ZINC000408755012	570544898	/nfs/dbraw/zinc/54/48/98/570544898.db2.gz	PLEYLYKYTLSDKL-BYINCCNUSA-N	-1	0	379.441	2.964	40	30		GFEBRM
Cc1ccc(N2C(=O)C(=CNc3ccc(C)c([N+](=O)[O-])c3)C(=O)[N-]C2=S)cc1	ZINC000408757425	570545482	/nfs/dbraw/zinc/54/54/82/570545482.db2.gz	ZVUCCYZYMHOZJD-IXJMWADBSA-N	-1	0	396.428	2.978	40	30		GFEBRM
Cc1ccc(N2C(=O)C(=CNc3ccc([N+](=O)[O-])cc3C)C(=O)[N-]C2=S)cc1	ZINC000408765382	231112813	/nfs/dbraw/zinc/11/28/13/231112813.db2.gz	LKGBFRVPMSRKMM-ANQVYJHKSA-N	-1	0	396.428	2.978	40	30		GFEBRM
CSc1ccc(S(=O)(=O)N(CC(=O)[O-])c2ccc(CC#N)cc2)cc1	ZINC000224985075	526051439	/nfs/dbraw/zinc/05/14/39/526051439.db2.gz	SURQNOXHBFZVTN-UHFFFAOYSA-N	-1	0	376.459	2.754	40	30		GFEBRM
C=CC[N-]S(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2Cl)s1	ZINC000223414760	526677315	/nfs/dbraw/zinc/67/73/15/526677315.db2.gz	GUCNNLIQUCAYHT-UHFFFAOYSA-N	-1	0	393.277	2.562	40	30		GFEBRM
CCOc1c(Br)cc(Br)cc1CN=Nc1nnn[n-]1	ZINC000006758624	570282564	/nfs/dbraw/zinc/28/25/64/570282564.db2.gz	SZYRXPSWKHWYQV-WLRTZDKTSA-N	-1	0	390.039	2.569	40	30		GFEBRM
O=[N+]([O-])c1ccc(NN=Cc2cc(Br)c([O-])c([N+](=O)[O-])c2)nc1	ZINC000408750080	231111203	/nfs/dbraw/zinc/11/12/03/231111203.db2.gz	KGTOBFKAEJFCPF-WCSRMQSCSA-N	-1	0	382.130	2.812	40	30		GFEBRM
Cc1ccc([N+](=O)[O-])cc1NC=C1C(=O)[N-]C(=O)N(c2ccccc2C)C1=O	ZINC000408532566	534335295	/nfs/dbraw/zinc/33/52/95/534335295.db2.gz	IJKZIOBHHVWNBL-AWEZNQCLSA-N	-1	0	380.360	2.813	40	30		GFEBRM
CC1CCC2(CC1)N=C(N1CCN(c3ccc(F)cc3)CC1)NC([O-])=C2C#N	ZINC000020636692	520967703	/nfs/dbraw/zinc/96/77/03/520967703.db2.gz	CBCOGKLOOJHDAP-GFBDMGBSSA-N	-1	0	383.471	2.522	40	30		GFEBRM
CCc1nn2c(ncc3c(=O)n([C@@H](CS)C(=O)[O-])ccc32)c1-c1ccccc1	ZINC000040387895	522711758	/nfs/dbraw/zinc/71/17/58/522711758.db2.gz	WMTAYECXZNFTOZ-INIZCTEOSA-N	-1	0	394.456	2.829	40	30		GFEBRM
O=C([O-])COc1ccc(Br)cc1CN=Nc1ccc([N+](=O)[O-])cn1	ZINC000408911844	231129548	/nfs/dbraw/zinc/12/95/48/231129548.db2.gz	OPTCWPCNQGVWNO-FMQZQXMHSA-N	-1	0	395.169	2.662	40	30		GFEBRM
COc1ccccc1NC(=O)CSc1sc2c([nH]c(=O)cc2[O-])c1C#N	ZINC000013119396	221261395	/nfs/dbraw/zinc/26/13/95/221261395.db2.gz	HOSMIRBWUVGCSF-UHFFFAOYSA-N	-1	0	387.442	2.906	40	30		GFEBRM
Cc1nn2c(ncc3c(=O)n([C@@H](CS)C(=O)[O-])ccc32)c1-c1ccccc1	ZINC000040396285	526312454	/nfs/dbraw/zinc/31/24/54/526312454.db2.gz	OTLKEZIYLNPNTQ-HNNXBMFYSA-N	-1	0	380.429	2.575	40	30		GFEBRM
C=CCOc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O	ZINC000408945753	526922427	/nfs/dbraw/zinc/92/24/27/526922427.db2.gz	XDKCQGMAOOSBBO-FOWTUZBSSA-N	-1	0	393.355	2.826	40	30		GFEBRM
C#CCOc1cc(OC)ccc1/C=C1\C(=O)[N-]C(=O)N(c2cccc(C)c2)C1=O	ZINC000408813530	527090842	/nfs/dbraw/zinc/09/08/42/527090842.db2.gz	QOZVWWRPOIEIQU-LDADJPATSA-N	-1	0	390.395	2.682	40	30		GFEBRM
O=C1[N-]C(=O)N(c2cccc(C(F)(F)F)c2)C(=O)C1=CNCc1ccco1	ZINC000408529257	231051838	/nfs/dbraw/zinc/05/18/38/231051838.db2.gz	CNYXUXUFZDZTSS-FCQRQVBFSA-N	-1	0	379.294	2.768	40	30		GFEBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC#N)cc3)C2=O)cc1C	ZINC000408856195	231122725	/nfs/dbraw/zinc/12/27/25/231122725.db2.gz	JLIPFEYJZZNQJU-LDADJPATSA-N	-1	0	375.384	2.872	40	30		GFEBRM
N#Cc1c(/C=C/c2ccccc2[N+](=O)[O-])c(C(=O)[O-])nn(-c2ccccc2)c1=O	ZINC000409205063	231180514	/nfs/dbraw/zinc/18/05/14/231180514.db2.gz	KPMCDTKYJKJRAO-ZHACJKMWSA-N	-1	0	388.339	2.881	40	30		GFEBRM
C=CCN1C(=O)/C(=C/c2ccc(O[C@@H](C)C(=O)[O-])c(OC)c2)SC1=S	ZINC000409016031	526390181	/nfs/dbraw/zinc/39/01/81/526390181.db2.gz	UDJZKGPOOXRRBY-ADVUTCEVSA-N	-1	0	379.459	2.934	40	30		GFEBRM
C#CCOc1ccc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc1OC	ZINC000408869752	527090897	/nfs/dbraw/zinc/09/08/97/527090897.db2.gz	UDYLWBDWOWGOSI-VBKFSLOCSA-N	-1	0	392.436	2.539	40	30		GFEBRM
O=C([O-])COc1ccc(CN=Nc2ccc([N+](=O)[O-])cn2)cc1Br	ZINC000036174020	527617597	/nfs/dbraw/zinc/61/75/97/527617597.db2.gz	WCUXJPPSZJCSIV-FMQZQXMHSA-N	-1	0	395.169	2.662	40	30		GFEBRM
CC(C)CNC(=O)c1csc([N-]c2nccc([C@@H]3CCCN(CC#N)C3)n2)n1	ZINC000585294644	570270703	/nfs/dbraw/zinc/27/07/03/570270703.db2.gz	STWSVIQIHQVVEY-CQSZACIVSA-N	-1	0	399.524	2.765	40	30		GFEBRM
CCNC(=O)c1ccc(OC)c(S(=O)(=O)[N-]c2ccc(C3(C#N)CC3)cc2)c1	ZINC000223016992	570437470	/nfs/dbraw/zinc/43/74/70/570437470.db2.gz	OCUAHIJRDRDPGW-UHFFFAOYSA-N	-1	0	399.472	2.801	40	30		GFEBRM
O=C([O-])c1ccc(NN=C2C(=O)N(C3CSC3)c3c2cc(F)cc3F)cc1	ZINC000223748572	570483092	/nfs/dbraw/zinc/48/30/92/570483092.db2.gz	BMSHGWKDLNKDNT-JCMHNJIXSA-N	-1	0	389.383	2.941	40	30		GFEBRM
CCN1C(=O)C(=CC(=O)[O-])C(C(=O)c2ccc(Br)cc2)[C@@H]1SC	ZINC000062716322	654847664	/nfs/dbraw/zinc/84/76/64/654847664.db2.gz	AMFJYYJKCWECHW-INIZCTEOSA-N	-1	0	398.278	2.954	40	30		GFEBRM
N#Cc1ccc(-c2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccncc4)C3=O)o2)cc1	ZINC000409394438	231201217	/nfs/dbraw/zinc/20/12/17/231201217.db2.gz	AJAOBHSCPLFDCP-GZTJUZNOSA-N	-1	0	384.351	2.880	40	30		GFEBRM
C=CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1OC	ZINC000408797254	526833648	/nfs/dbraw/zinc/83/36/48/526833648.db2.gz	CAXGVISKKHIGCU-FOWTUZBSSA-N	-1	0	378.384	2.926	40	30		GFEBRM
CCCCCCCCCCN(CCOCCOCCO)C(=O)CCC(=O)[O-]	ZINC000100924191	570279164	/nfs/dbraw/zinc/27/91/64/570279164.db2.gz	ROGHGMQGVBZDJF-UHFFFAOYSA-N	-1	0	389.533	2.846	40	30		GFEBRM
Cc1cccc(N2C(=O)[N-]C(=O)C(=CNc3cc([N+](=O)[O-])ccc3C)C2=O)c1	ZINC000408530354	231051396	/nfs/dbraw/zinc/05/13/96/231051396.db2.gz	FCYHCTQMPJLMNA-OAHLLOKOSA-N	-1	0	380.360	2.813	40	30		GFEBRM
O=C([O-])COc1ccc(CN=Nc2ncccc2[N+](=O)[O-])cc1Br	ZINC000409064986	231152960	/nfs/dbraw/zinc/15/29/60/231152960.db2.gz	JVSWKRZAFDIAAL-REZTVBANSA-N	-1	0	395.169	2.662	40	30		GFEBRM
O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)C1=CNCc1ccco1	ZINC000408533715	534784311	/nfs/dbraw/zinc/78/43/11/534784311.db2.gz	KOXGYMXBCQENAA-AGZSBTIMSA-N	-1	0	390.193	2.512	40	30		GFEBRM
CSCC[C@H](NOC(=O)Cc1ccccc1)[P@](=O)([O-])c1ccccc1	ZINC000001643410	212252147	/nfs/dbraw/zinc/25/21/47/212252147.db2.gz	AXKVUUYOQMFTKZ-QGZVFWFLSA-N	-1	0	379.418	2.952	40	30		GFEBRM
Cc1ccc(N2C(=O)C(=CNc3ccc(C)cc3[N+](=O)[O-])C(=O)[N-]C2=S)cc1	ZINC000015745661	136201901	/nfs/dbraw/zinc/20/19/01/136201901.db2.gz	JHWCAJAXNVXCIF-FHOUHHFSSA-N	-1	0	396.428	2.978	40	30		GFEBRM
C=CCN1C(=O)/C(=C/c2cccc(OC)c2O[C@@H](C)C(=O)[O-])SC1=S	ZINC000409250315	526389561	/nfs/dbraw/zinc/38/95/61/526389561.db2.gz	XACZFANYEJDABE-AVMBBCFPSA-N	-1	0	379.459	2.934	40	30		GFEBRM
CCS[C@H]1C(C(=O)c2ccc(Br)cc2)C(=CC(=O)[O-])C(=O)N1C	ZINC000062716280	654847637	/nfs/dbraw/zinc/84/76/37/654847637.db2.gz	XNORFUJXPWKJTI-INIZCTEOSA-N	-1	0	398.278	2.954	40	30		GFEBRM
C=CCNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000006316141	220928228	/nfs/dbraw/zinc/92/82/28/220928228.db2.gz	SLZQXRSSIMNIJF-UHFFFAOYSA-N	-1	0	375.406	2.620	40	30		GFEBRM
CCOC(=O)c1cccc(NC=C2C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)c1	ZINC000408536346	528248006	/nfs/dbraw/zinc/24/80/06/528248006.db2.gz	QYZJTZFAMIKMQS-KRWDZBQOSA-N	-1	0	393.399	2.773	40	30		GFEBRM
CCOc1cc(C=NNCc2ccc(OC)c(OC)c2)ccc1OCC(=O)[O-]	ZINC000020196481	570247091	/nfs/dbraw/zinc/24/70/91/570247091.db2.gz	DSTBUSJBCROFGU-WSDLNYQXSA-N	-1	0	388.420	2.690	40	30		GFEBRM
C=CCN1C(=O)[C@H](CC(=O)[O-])S/C1=N/N=C/c1ccc(N(CC)CC)cc1	ZINC000005393306	570489449	/nfs/dbraw/zinc/48/94/49/570489449.db2.gz	VMLINIPTNIGPLU-NRGKSFRSSA-N	-1	0	388.493	2.827	40	30		GFEBRM
O=[N+]([O-])c1cc(Br)cc(CN=Nc2ncccc2[N+](=O)[O-])c1[O-]	ZINC000409096886	231159334	/nfs/dbraw/zinc/15/93/34/231159334.db2.gz	KWNHKNJNYYGNLY-GIDUJCDVSA-N	-1	0	382.130	2.812	40	30		GFEBRM
CCCCCCCCCCCC(=O)O[C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)[O-]	ZINC000100500106	519983425	/nfs/dbraw/zinc/98/34/25/519983425.db2.gz	RCJRJPPOMCHVHQ-GJZGRUSLSA-N	-1	0	398.543	2.504	40	30		GFEBRM
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1cc2c(cc1[N+](=O)[O-])OCCO2	ZINC000102571576	520896955	/nfs/dbraw/zinc/89/69/55/520896955.db2.gz	OEUARLLJXGHVFA-LVZFUZTISA-N	-1	0	381.348	2.557	40	30		GFEBRM
C=CCOc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(OC)cc2)C1=O	ZINC000408803252	526922338	/nfs/dbraw/zinc/92/23/38/526922338.db2.gz	MYZHEKLYQRNOIA-GHRIWEEISA-N	-1	0	378.384	2.926	40	30		GFEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc(OC)c1O	ZINC000409067658	527228998	/nfs/dbraw/zinc/22/89/98/527228998.db2.gz	QMSVLFJQDVPLSV-MHWRWJLKSA-N	-1	0	394.383	2.501	40	30		GFEBRM
CCOc1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccccc3OC)C2=O)cc1	ZINC000408538170	528485401	/nfs/dbraw/zinc/48/54/01/528485401.db2.gz	YXYLQCITQZZGMX-OAHLLOKOSA-N	-1	0	381.388	2.695	40	30		GFEBRM
O=C1Nc2ccc(Br)cc2/C1=N/N=C\c1ccc([O-])c([N+](=O)[O-])c1	ZINC000016384691	551111671	/nfs/dbraw/zinc/11/16/71/551111671.db2.gz	CPOJWCRVLFEHQU-IDUWFGFVSA-N	-1	0	389.165	2.838	40	30		GFEBRM
O=C1Nc2ccc(Br)cc2/C1=N/N=Cc1ccc([O-])c([N+](=O)[O-])c1	ZINC000254555194	553151976	/nfs/dbraw/zinc/15/19/76/553151976.db2.gz	CPOJWCRVLFEHQU-UHFFFAOYSA-N	-1	0	389.165	2.838	40	30		GFEBRM
C=CCNC(=O)N1CC[C@@H](CC(=O)[O-])[C@@H](CC2=NCCc3cc(OC)ccc32)C1	ZINC000049590467	560083439	/nfs/dbraw/zinc/08/34/39/560083439.db2.gz	BHNIWWLMLJLYEY-RDJZCZTQSA-N	-1	0	399.491	2.739	40	30	biogenic,in-vitro	GFEBRM
C#CCOc1cccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCC)cc3)C2=O)c1	ZINC000408935594	570686724	/nfs/dbraw/zinc/68/67/24/570686724.db2.gz	IAKOJXZOUKNBOE-RGEXLXHISA-N	-1	0	390.395	2.764	40	30		GFEBRM