smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(/C=C2/SC(=S)N(CCC(=O)N[C@@H](C)C(=O)[O-])C2=O)cc1OC	ZINC000008870120	557812699	/nfs/dbraw/zinc/81/26/99/557812699.db2.gz	VMFIUGSWWGWNOG-RSYJBZMQSA-N	-1	0	424.500	1.884	40	10		HDCBRM
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)ccc1OCC(N)=O	ZINC000083292768	558833293	/nfs/dbraw/zinc/83/32/93/558833293.db2.gz	XKLXSEMTCDDDJM-RIYZIHGNSA-N	-1	0	413.386	1.204	40	10		HDCBRM
O=C1[N-]C(=O)C(=Cc2cccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)c2)C(=O)N1	ZINC000408766115	560629983	/nfs/dbraw/zinc/62/99/83/560629983.db2.gz	OZILABJIARRGQO-UHFFFAOYSA-N	-1	0	417.355	1.112	40	10		HDCBRM
Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc(OCC(N)=O)cc3)C(=O)[N-]C2=S)c1	ZINC000408964905	560658952	/nfs/dbraw/zinc/65/89/52/560658952.db2.gz	TWJIEDPCOGFXCA-LICLKQGHSA-N	-1	0	409.467	1.999	40	10		HDCBRM
Cc1nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1C=C1C(=O)[N-]C(=O)NC1=O	ZINC000408998775	560663495	/nfs/dbraw/zinc/66/34/95/560663495.db2.gz	SDPAMGDGIHTFIM-UHFFFAOYSA-N	-1	0	400.307	1.055	40	10		HDCBRM
O=C([O-])[C@H](Cc1ccc(O)c(O)c1)NS(=O)(=O)c1ccc(Br)cc1	ZINC000016429106	560860555	/nfs/dbraw/zinc/86/05/55/560860555.db2.gz	PANYOJCCOOLVAX-LBPRGKRZSA-N	-1	0	416.249	1.835	40	10		HDCBRM
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cn(CC(N)=O)c4ccccc34)C2=O)cc1	ZINC000107863362	569353082	/nfs/dbraw/zinc/35/30/82/569353082.db2.gz	ZLLKGPPHKQKJRC-LICLKQGHSA-N	-1	0	418.409	1.802	40	10		HDCBRM
NC(=O)COc1ccc(Br)cc1/C=C1/C(=O)[N-]N(c2ccccc2)C1=O	ZINC000034715460	569360683	/nfs/dbraw/zinc/36/06/83/569360683.db2.gz	IVRDDLMBFINXMP-ZROIWOOFSA-N	-1	0	416.231	1.775	40	10		HDCBRM
COc1ccc(/C=C2/SC(=S)N(CCC(=O)NCC(=O)[O-])C2=O)cc1OC	ZINC000005374970	557648870	/nfs/dbraw/zinc/64/88/70/557648870.db2.gz	VWXREYLTJPJRNR-MDWZMJQESA-N	-1	0	410.473	1.496	40	10		HDCBRM
Cc1ccc(/C=C2/SC(=S)N(CCC(=O)N[C@H](CC(N)=O)C(=O)[O-])C2=O)cc1	ZINC000008870090	557812756	/nfs/dbraw/zinc/81/27/56/557812756.db2.gz	RAIIJIYJGPFQTK-FMNNIJNLSA-N	-1	0	421.500	1.031	40	10		HDCBRM
COC(=O)c1ccc(N2[N-]C(=O)/C(=C/c3cc(OC)c(OC)c(OC)c3)C2=O)cc1	ZINC000000876034	560537237	/nfs/dbraw/zinc/53/72/37/560537237.db2.gz	BDTAWFFFOYHBIU-DHDCSXOGSA-N	-1	0	412.398	1.960	40	10		HDCBRM
COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C2/NC(=O)N(CC(=O)[O-])C2=O)c1C	ZINC000408587971	557491642	/nfs/dbraw/zinc/49/16/42/557491642.db2.gz	ATLLRUIZFDEQNR-VGOFMYFVSA-N	-1	0	414.374	1.988	40	10		HDCBRM
CN(C)c1ccc(/C=C2/C(=O)[N-]C(=O)N(CCCCCCNC(N)=O)C2=O)cc1	ZINC000005333954	557645448	/nfs/dbraw/zinc/64/54/48/557645448.db2.gz	HNDVNEIPSCOXDS-SSZFMOIBSA-N	-1	0	401.467	1.443	40	10		HDCBRM
Cc1cc([N-]S(=O)(=O)c2ccc(N=Nc3c(N)[nH]c(=O)[nH]c3=O)cc2)nc(C)n1	ZINC000018068589	558830345	/nfs/dbraw/zinc/83/03/45/558830345.db2.gz	JEUWXUVCLNYZIZ-GHVJWSGMSA-N	-1	0	416.423	1.268	40	10		HDCBRM
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)ccc1OCC(N)=O	ZINC000408967322	560659333	/nfs/dbraw/zinc/65/93/33/560659333.db2.gz	UXMPBMZCEFHTKM-OQLLNIDSSA-N	-1	0	409.398	1.534	40	10		HDCBRM
NC(=O)COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc1Cl	ZINC000409226762	560698206	/nfs/dbraw/zinc/69/82/06/560698206.db2.gz	WQRVKCVMPTVHOX-NTUHNPAUSA-N	-1	0	415.789	1.576	40	10		HDCBRM
CCCn1c(=O)c(=C2C=Cc3ccccc3N2C)sc1=C1SC(=S)[N-]C1=O	ZINC000100181176	560723908	/nfs/dbraw/zinc/72/39/08/560723908.db2.gz	OJZPBHWFTNHTEV-JRDADBJUSA-N	-1	0	415.565	1.847	40	10		HDCBRM
CCOC(=O)[C@H]1[C@@H](c2cc([N+](=O)[O-])ccc2[O-])NC(=S)N[C@@]1(O)C(F)(F)F	ZINC000011859291	560775170	/nfs/dbraw/zinc/77/51/70/560775170.db2.gz	HFPVHFKMWIGMJN-BREBYQMCSA-N	-1	0	409.342	1.249	40	10		HDCBRM
O=C([O-])[C@@H](Cc1ccc(O)c(O)c1)NS(=O)(=O)c1ccc(Br)cc1	ZINC000016429103	560860561	/nfs/dbraw/zinc/86/05/61/560860561.db2.gz	PANYOJCCOOLVAX-GFCCVEGCSA-N	-1	0	416.249	1.835	40	10		HDCBRM
O=C1[N-]C(=O)C(=Cc2ccc(N3CCN(c4ccccc4)CC3)c([N+](=O)[O-])c2)C(=O)N1	ZINC000059488798	568707953	/nfs/dbraw/zinc/70/79/53/568707953.db2.gz	OEWGMJGXOGKKJE-UHFFFAOYSA-N	-1	0	421.413	1.671	40	10		HDCBRM
COC(=O)[C@H](C)Oc1ccc([N+](=O)[O-])cc1/C=C1/C(=O)[N-]N(c2ccccc2)C1=O	ZINC000108184857	569361226	/nfs/dbraw/zinc/36/12/26/569361226.db2.gz	SKUWVEXVAACGRO-IEMQHYRPSA-N	-1	0	411.370	1.997	40	10		HDCBRM
CCc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=CN2CCOCC2)C1=O	ZINC000408530950	557299731	/nfs/dbraw/zinc/29/97/31/557299731.db2.gz	JWAGKCOUJRYOLS-JLHYYAGUSA-N	-1	0	408.252	1.810	40	10		HDCBRM
Cn1c(N)c(/N=N/c2ccc(S(=O)(=O)[N-]c3nccs3)cc2)c(=O)n(C)c1=O	ZINC000104090721	559157963	/nfs/dbraw/zinc/15/79/63/559157963.db2.gz	ZGICVIYWKXQXOW-VHEBQXMUSA-N	-1	0	421.464	1.339	40	10		HDCBRM
CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(Cl)c1OCC(=O)[O-]	ZINC000059139774	568701963	/nfs/dbraw/zinc/70/19/63/568701963.db2.gz	ZHQBJXJJFWLJBX-UHFFFAOYSA-N	-1	0	412.851	1.801	40	10		HDCBRM
O=C1[N-]C(=O)C(=Cc2cc([N+](=O)[O-])ccc2N2CCN(c3ccccc3)CC2)C(=O)N1	ZINC000059488774	568707968	/nfs/dbraw/zinc/70/79/68/568707968.db2.gz	DLPHTHOBYPXHCX-UHFFFAOYSA-N	-1	0	421.413	1.671	40	10		HDCBRM
Cc1ccccc1N1C(=O)[N-]C(=O)C(=CNc2ccc3c(c2)n(C)c(=O)n3C)C1=O	ZINC000408531152	557301919	/nfs/dbraw/zinc/30/19/19/557301919.db2.gz	NJLYRYONAZDRJB-SDNWHVSQSA-N	-1	0	405.414	1.764	40	10		HDCBRM
Cn1c(/C=C2/SC(=S)N([C@H](CCC(N)=O)C(=O)[O-])C2=O)nc2ccccc21	ZINC000005235981	557641040	/nfs/dbraw/zinc/64/10/40/557641040.db2.gz	BMHSXMQTJMDARE-OYGDSYQHSA-N	-1	0	404.473	1.493	40	10		HDCBRM
CCOc1ccc(/C=C2/SC(=S)N(CCC(=O)NCC(=O)[O-])C2=O)cc1OC	ZINC000008870144	557812694	/nfs/dbraw/zinc/81/26/94/557812694.db2.gz	KRXBFDRTPLXGHG-NTEUORMPSA-N	-1	0	424.500	1.886	40	10		HDCBRM
Cn1c2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc5c(c4)OCO5)C3=O)cc2n(C)c1=O	ZINC000408953328	560657186	/nfs/dbraw/zinc/65/71/86/560657186.db2.gz	PTYKJANAQOJJPV-NTUHNPAUSA-N	-1	0	420.381	1.272	40	10		HDCBRM
CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3)C2=O)ccc1OCC(N)=O	ZINC000409215172	560696818	/nfs/dbraw/zinc/69/68/18/560696818.db2.gz	XVCMFSCBDGQBEL-GDNBJRDFSA-N	-1	0	409.398	1.616	40	10		HDCBRM
NC(=O)COc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O	ZINC000409223449	560698945	/nfs/dbraw/zinc/69/89/45/560698945.db2.gz	HTBWUACMUMRCQP-NTEUORMPSA-N	-1	0	410.342	1.125	40	10		HDCBRM
Cn1cc(S(=O)(=O)[N-]c2nc(-c3ccc(Cl)cc3)cs2)c(=O)n(C)c1=O	ZINC000216356174	568464594	/nfs/dbraw/zinc/46/45/94/568464594.db2.gz	AKGIPWYIVGYFHI-UHFFFAOYSA-N	-1	0	412.880	1.662	40	10		HDCBRM
Cc1n[n-]c(SCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)nc1=O	ZINC000005009500	557625182	/nfs/dbraw/zinc/62/51/82/557625182.db2.gz	BQUMSDZSZJRHJX-UHFFFAOYSA-N	-1	0	406.423	1.980	40	10		HDCBRM
Cc1ccc(/C=C2/SC(=S)N(CC(=O)N[C@H](CCC(N)=O)C(=O)[O-])C2=O)cc1	ZINC000008870079	557812723	/nfs/dbraw/zinc/81/27/23/557812723.db2.gz	PFHDAOJSFIKPNG-FMNNIJNLSA-N	-1	0	421.500	1.031	40	10		HDCBRM
Cc1nnc([N-]S(=O)(=O)c2ccc(N=Nc3c(N)[nH]c(=O)[nH]c3=O)cc2)s1	ZINC000018159071	558832465	/nfs/dbraw/zinc/83/24/65/558832465.db2.gz	XIQMBQJBWQQINB-VHEBQXMUSA-N	-1	0	408.425	1.022	40	10		HDCBRM
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)ccc1OCC(N)=O	ZINC000408961576	560658337	/nfs/dbraw/zinc/65/83/37/560658337.db2.gz	NKXSQMLAJDQQKS-CXUHLZMHSA-N	-1	0	423.425	1.843	40	10		HDCBRM
CCc1ccc(N2C(=O)/C(=C/c3ccc(OCC(N)=O)cc3)C(=O)[N-]C2=S)cc1	ZINC000408963357	560658696	/nfs/dbraw/zinc/65/86/96/560658696.db2.gz	NLOVUBHAXPOAEF-GZTJUZNOSA-N	-1	0	409.467	1.944	40	10		HDCBRM
Cc1cccc(N2C(=O)[N-]C(=O)C(=CNc3ccc4c(c3)n(C)c(=O)n4C)C2=O)c1	ZINC000100478180	569052088	/nfs/dbraw/zinc/05/20/88/569052088.db2.gz	DQUXFDAIJWQFLM-RVDMUPIBSA-N	-1	0	405.414	1.764	40	10		HDCBRM
O=C(COc1cccc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c1)N1CCOCC1	ZINC000033795788	569360425	/nfs/dbraw/zinc/36/04/25/569360425.db2.gz	VTKAIIDIQYPNIY-RGEXLXHISA-N	-1	0	407.426	1.386	40	10		HDCBRM
COc1cc(Cl)cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c1OCC(N)=O	ZINC000108976330	569361342	/nfs/dbraw/zinc/36/13/42/569361342.db2.gz	VDXSOTKXQSGHJW-ZSOIEALJSA-N	-1	0	401.806	1.674	40	10		HDCBRM
O=C([O-])COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1	ZINC000012428925	132359793	/nfs/dbraw/zinc/35/97/93/132359793.db2.gz	RTHMLNZCPJOROH-VGOFMYFVSA-N	-1	0	410.338	1.545	40	10		HDCBRM
CN(C)c1cc2[nH]c(=O)[nH]c2cc1NC=C1C(=O)[N-]C(=O)N(c2ccccc2)C1=O	ZINC000408536584	557341278	/nfs/dbraw/zinc/34/12/78/557341278.db2.gz	WTGGQRFVOMMVKL-ZRDIBKRKSA-N	-1	0	406.402	1.913	40	10		HDCBRM
CC(NN1CCN(C)CC1)=C1C(=O)N(c2nc3ccccc3s2)N=C1CC(=O)[O-]	ZINC000009482206	557843799	/nfs/dbraw/zinc/84/37/99/557843799.db2.gz	NKLYLVXPDSEESA-ATVHPVEESA-N	-1	0	414.491	1.500	40	10		HDCBRM
CCOC(=O)c1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(S(N)(=O)=O)cc1	ZINC000100334444	559134249	/nfs/dbraw/zinc/13/42/49/559134249.db2.gz	REPFRJDEBJMEHB-ANNUQZOISA-N	-1	0	415.431	1.752	40	10		HDCBRM
Cc1nnc(SC(=Cc2ccc(N3CCN(C)CC3)c([N+](=O)[O-])c2)C(=O)[O-])[nH]1	ZINC000409191250	560689363	/nfs/dbraw/zinc/68/93/63/560689363.db2.gz	FIESCJMRFDTALU-XNTDXEJSSA-N	-1	0	404.452	1.991	40	10		HDCBRM
CCOC(=O)COc1cc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)ccc1OC	ZINC000409214828	560696698	/nfs/dbraw/zinc/69/66/98/560696698.db2.gz	YKSVOFMOMMGBPP-NTUHNPAUSA-N	-1	0	411.457	1.923	40	10		HDCBRM
NC(=O)COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1	ZINC000409223660	560699032	/nfs/dbraw/zinc/69/90/32/560699032.db2.gz	HMYQAHWYRDYCTE-OVCLIPMQSA-N	-1	0	410.342	1.125	40	10		HDCBRM
NC(=O)COc1ccc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1Br	ZINC000033735716	569360303	/nfs/dbraw/zinc/36/03/03/569360303.db2.gz	XCOFGXFBQAYPKK-JYRVWZFOSA-N	-1	0	416.231	1.775	40	10		HDCBRM
CCOC(=O)[C@H]1[C@H](c2cc([N+](=O)[O-])ccc2[O-])NC(=S)N[C@@]1(O)C(F)(F)F	ZINC000011859293	560775213	/nfs/dbraw/zinc/77/52/13/560775213.db2.gz	HFPVHFKMWIGMJN-NRUUGDAUSA-N	-1	0	409.342	1.249	40	10		HDCBRM
NS(=O)(=O)c1ccc(NNS(=O)(=O)c2cc(Cl)cc(Cl)c2[O-])cc1	ZINC000016428658	450592489	/nfs/dbraw/zinc/59/24/89/450592489.db2.gz	JQQNVCNYABFFGI-UHFFFAOYSA-N	-1	0	412.276	1.652	40	10		HDCBRM
COc1ccccc1N1C(=O)[N-]C(=O)C(=CNc2ccc3c(c2)n(C)c(=O)n3C)C1=O	ZINC000408530131	557297670	/nfs/dbraw/zinc/29/76/70/557297670.db2.gz	LGYFCAGCWIOTRU-ACCUITESSA-N	-1	0	421.413	1.464	40	10		HDCBRM
COc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc3c(c2)n(C)c(=O)n3C)C1=O	ZINC000016363863	558788452	/nfs/dbraw/zinc/78/84/52/558788452.db2.gz	HQPCTOMAFOUROY-JLHYYAGUSA-N	-1	0	406.398	1.552	40	10		HDCBRM
Cc1ccnc([N-]S(=O)(=O)c2ccc(NN=C3C(=O)N=C(N)N=C3N)cc2)n1	ZINC000017021112	558811807	/nfs/dbraw/zinc/81/18/07/558811807.db2.gz	JRWJXACUBJIMLZ-GHVJWSGMSA-N	-1	0	401.412	1.661	40	10		HDCBRM
COc1ccc(N2C(=O)/C(=C/c3ccc(N4CCOCC4)o3)C(=O)[N-]C2=S)cc1	ZINC000409020774	560666743	/nfs/dbraw/zinc/66/67/43/560666743.db2.gz	TVMNUNWULWGELB-FOWTUZBSSA-N	-1	0	413.455	1.956	40	10		HDCBRM
O=C(COc1ccc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1)N1CCOCC1	ZINC000409403624	560721811	/nfs/dbraw/zinc/72/18/11/560721811.db2.gz	AGDXTMKJMOPXRY-RGEXLXHISA-N	-1	0	407.426	1.386	40	10		HDCBRM
COc1cc(C=C2C(=O)[N-]C(=O)NC2=O)ccc1OS(=O)(=O)c1ccc(C)cc1	ZINC000113833279	560805145	/nfs/dbraw/zinc/80/51/45/560805145.db2.gz	WHOOMNCEYDSFRQ-UHFFFAOYSA-N	-1	0	416.411	1.521	40	10		HDCBRM
COc1ccc(C=C2C(=O)[N-]C(=O)NC2=O)c(OS(=O)(=O)c2ccc(C)cc2)c1	ZINC000408891102	560650224	/nfs/dbraw/zinc/65/02/24/560650224.db2.gz	LMQLLJIHNXKYKW-UHFFFAOYSA-N	-1	0	416.411	1.521	40	10		HDCBRM
CCOc1cc(/C=C2\SC(=S)N(CC(=O)OC)C2=O)ccc1OCC(=O)[O-]	ZINC000409217838	560697710	/nfs/dbraw/zinc/69/77/10/560697710.db2.gz	XHEIQODQKJNARG-QPEQYQDCSA-N	-1	0	411.457	1.923	40	10		HDCBRM
O=C([O-])CCN1C(=O)/C(=C/c2cc3cc4c(cc3[nH]c2=O)OCCO4)SC1=S	ZINC000051330780	560875623	/nfs/dbraw/zinc/87/56/23/560875623.db2.gz	XWDMGPUFSRHYJZ-AUWJEWJLSA-N	-1	0	418.452	1.975	40	10		HDCBRM
O=C([O-])CN1C(=O)C[C@@H](N2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)C1=O	ZINC000016805055	569046450	/nfs/dbraw/zinc/04/64/50/569046450.db2.gz	FKIGOHQDZSZCDB-KWKMDBODSA-N	-1	0	402.453	1.656	40	10		HDCBRM
O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)SC(=S)N1C=C1C(=O)[N-]C(=O)NC1=O	ZINC000001637197	557278068	/nfs/dbraw/zinc/27/80/68/557278068.db2.gz	PCGQGIYCBXXXPJ-YHYXMXQVSA-N	-1	0	404.385	1.046	40	10		HDCBRM
CCOC(=O)[C@H]1[C@@H](c2cc([N+](=O)[O-])ccc2[O-])NC(=S)N[C@]1(O)C(F)(F)F	ZINC000034909265	557475620	/nfs/dbraw/zinc/47/56/20/557475620.db2.gz	HFPVHFKMWIGMJN-GIPNMCIBSA-N	-1	0	409.342	1.249	40	10		HDCBRM
COc1cc(/C=C2\SC(=S)N(CCCC(=O)[O-])C2=O)ccc1OCC(N)=O	ZINC000009189389	557826624	/nfs/dbraw/zinc/82/66/24/557826624.db2.gz	QXMJSQQLJUTNIP-JYRVWZFOSA-N	-1	0	410.473	1.625	40	10		HDCBRM
CCN1C(=O)C(=Cc2ccc(O[C@@H](C)C(=O)[O-])c(OC)c2)C(=O)N(CC)C1=S	ZINC000409019448	560667443	/nfs/dbraw/zinc/66/74/43/560667443.db2.gz	JGJYYAMQMHERRF-NSHDSACASA-N	-1	0	406.460	1.926	40	10		HDCBRM
CCN1C(=O)C(=Cc2cccc(OC)c2O[C@@H](C)C(=O)[O-])C(=O)N(CC)C1=S	ZINC000409253523	560703755	/nfs/dbraw/zinc/70/37/55/560703755.db2.gz	ZIHNAWLFQGPFJC-NSHDSACASA-N	-1	0	406.460	1.926	40	10		HDCBRM
CCOC(=O)CN1C(=O)/C(=C/N2N=C(c3ccccc3)C[C@@H]2C(=O)[O-])SC1=S	ZINC000256055340	568774786	/nfs/dbraw/zinc/77/47/86/568774786.db2.gz	CMVLZVTYYYQYJH-CKXDQPNJSA-N	-1	0	419.484	1.814	40	10		HDCBRM
COc1ccc(N2C(=O)[N-]C(=O)C(=CNc3ccc4c(c3)C(=O)NC4=O)C2=O)cc1	ZINC000408530552	557298859	/nfs/dbraw/zinc/29/88/59/557298859.db2.gz	METMGQBUPWJDIF-DHDCSXOGSA-N	-1	0	406.354	1.158	40	10		HDCBRM
COc1ccc(/C=C2/SC(=S)N(CCC(=O)N[C@H](C)C(=O)[O-])C2=O)cc1OC	ZINC000008870121	557812719	/nfs/dbraw/zinc/81/27/19/557812719.db2.gz	VMFIUGSWWGWNOG-GMROUXNLSA-N	-1	0	424.500	1.884	40	10		HDCBRM
NC(=O)COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1	ZINC000409224229	560699044	/nfs/dbraw/zinc/69/90/44/560699044.db2.gz	JDNWZFAFDLRMAC-OQLLNIDSSA-N	-1	0	410.342	1.125	40	10		HDCBRM
NC(=O)COc1c(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(Cl)cc1[N+](=O)[O-]	ZINC000107888456	569361052	/nfs/dbraw/zinc/36/10/52/569361052.db2.gz	IHDKPYGCJOXAJC-QPEQYQDCSA-N	-1	0	416.777	1.574	40	10		HDCBRM
CCOC(=O)COc1ccc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1[N+](=O)[O-]	ZINC000107786962	569361138	/nfs/dbraw/zinc/36/11/38/569361138.db2.gz	VAIYVODPPQQUQW-GDNBJRDFSA-N	-1	0	411.370	1.998	40	10		HDCBRM
CCOC(=O)c1sc(NC=C2C(=O)[N-]C(=O)N(C)C2=O)c(C(=O)OCC)c1C	ZINC000408530611	557297096	/nfs/dbraw/zinc/29/70/96/557297096.db2.gz	JHYGVOGONQKSFL-VQHVLOKHSA-N	-1	0	409.420	1.414	40	10		HDCBRM
COc1c(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cccc1[N+](=O)[O-]	ZINC000408857672	560647403	/nfs/dbraw/zinc/64/74/03/560647403.db2.gz	VQRGYVSITFWIMQ-KPKJPENVSA-N	-1	0	411.326	1.999	40	10		HDCBRM
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc2c1OCO2	ZINC000408946457	560656866	/nfs/dbraw/zinc/65/68/66/560656866.db2.gz	AHEPQSIUBNPGMV-UUILKARUSA-N	-1	0	410.338	1.819	40	10		HDCBRM
Cc1ccc(N2C(=O)/C(=C/c3ccc(OCC(N)=O)cc3)C(=O)[N-]C2=S)c(C)c1	ZINC000408966296	560658101	/nfs/dbraw/zinc/65/81/01/560658101.db2.gz	ZJPBKGVPLXQBMK-MHWRWJLKSA-N	-1	0	409.467	1.999	40	10		HDCBRM
COc1cc(Cl)cc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)c1OCC(N)=O	ZINC000006229837	569359834	/nfs/dbraw/zinc/35/98/34/569359834.db2.gz	VDXSOTKXQSGHJW-RIYZIHGNSA-N	-1	0	401.806	1.674	40	10		HDCBRM
COC(=O)COc1c(OC)cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1OC	ZINC000107828452	569361092	/nfs/dbraw/zinc/36/10/92/569361092.db2.gz	XTNMDLQKWMQFFG-DHDCSXOGSA-N	-1	0	412.398	1.717	40	10		HDCBRM
NC1=NC(=O)C(=NNc2ccc(S(=O)(=O)[N-]C(=O)c3ccccc3)cc2)C(N)=N1	ZINC000104054763	559157487	/nfs/dbraw/zinc/15/74/87/559157487.db2.gz	ICCJTKXQWZHRIO-FCQUAONHSA-N	-1	0	413.419	1.881	40	10		HDCBRM
COC(=O)COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1	ZINC000408947305	560656954	/nfs/dbraw/zinc/65/69/54/560656954.db2.gz	BXPLTPDTJNLRCI-OVCLIPMQSA-N	-1	0	424.365	1.634	40	10		HDCBRM
CCc1cccc2c(/C=C3\C(=O)[N-]C(=O)N(Cc4ccco4)C3=O)cn(CC(N)=O)c21	ZINC000409149697	560683889	/nfs/dbraw/zinc/68/38/89/560683889.db2.gz	NUGYWEMKWAMFIT-RQZCQDPDSA-N	-1	0	420.425	1.944	40	10		HDCBRM
COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(N)=O)cc3)C2=O)cc1	ZINC000409224430	560697954	/nfs/dbraw/zinc/69/79/54/560697954.db2.gz	KBQCKDQOMVXNLY-MHWRWJLKSA-N	-1	0	423.381	1.004	40	10		HDCBRM
CCN1C(=O)C(=Cc2cccc(OC)c2O[C@H](C)C(=O)[O-])C(=O)N(CC)C1=S	ZINC000409253263	560703756	/nfs/dbraw/zinc/70/37/56/560703756.db2.gz	ZIHNAWLFQGPFJC-LLVKDONJSA-N	-1	0	406.460	1.926	40	10		HDCBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=CNc3ccc4c(c3)C(=O)NC4=O)C2=O)c(C)c1	ZINC000408526415	557287762	/nfs/dbraw/zinc/28/77/62/557287762.db2.gz	BGRLWJBPUWJXON-OQLLNIDSSA-N	-1	0	404.382	1.766	40	10		HDCBRM
Cc1ccnc([N-]S(=O)(=O)c2ccc(/N=N/c3c(N)nc(N)nc3N)cc2)n1	ZINC000018068878	558830359	/nfs/dbraw/zinc/83/03/59/558830359.db2.gz	QOAAXULFSSJTQK-WCWDXBQESA-N	-1	0	400.428	1.538	40	10		HDCBRM
COC(=O)COc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2ccc3c(c2)OCO3)C1=O	ZINC000408954654	560657371	/nfs/dbraw/zinc/65/73/71/560657371.db2.gz	SEERCVVTRBDYLD-RIYZIHGNSA-N	-1	0	424.365	1.634	40	10		HDCBRM
CCN1C(=O)C(=Cc2ccc(O[C@H](C)C(=O)[O-])c(OC)c2)C(=O)N(CC)C1=S	ZINC000409019447	560667448	/nfs/dbraw/zinc/66/74/48/560667448.db2.gz	JGJYYAMQMHERRF-LLVKDONJSA-N	-1	0	406.460	1.926	40	10		HDCBRM
Cc1cc(=O)[nH]c(Sc2ccc([N+](=O)[O-])cc2C=C2C(=O)[N-]C(=O)NC2=O)n1	ZINC000409095782	560675725	/nfs/dbraw/zinc/67/57/25/560675725.db2.gz	JDJVJOFPEICONU-UHFFFAOYSA-N	-1	0	401.360	1.299	40	10		HDCBRM
O=C1[N-]C(=O)N(c2ccncc2)C(=O)/C1=C/c1ccc(I)o1	ZINC000409389499	560720448	/nfs/dbraw/zinc/72/04/48/560720448.db2.gz	BPIIDVFXPXXXJH-JXMROGBWSA-N	-1	0	409.139	1.946	40	10		HDCBRM
COc1ccc(N2C(=O)[N-]C(=O)C(=CNc3ccc4c(c3)oc(=O)n4C)C2=O)cc1	ZINC000016364000	132463784	/nfs/dbraw/zinc/46/37/84/132463784.db2.gz	RORZDHNDWCYTCG-UVTDQMKNSA-N	-1	0	408.370	1.719	40	10		HDCBRM
CC(=O)[C@@]1(N=Nc2ccc(S(=O)(=O)[N-]c3nccc(C)n3)cc2)CCOC1=O	ZINC000044201759	518211727	/nfs/dbraw/zinc/21/17/27/518211727.db2.gz	QVALLBLMUZACOI-XGIGFIBQSA-N	-1	0	403.420	1.944	40	10		HDCBRM
Cn1c(N)c(/N=N/c2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)c(=O)n(C)c1=O	ZINC000017719578	558827750	/nfs/dbraw/zinc/82/77/50/558827750.db2.gz	NATXRYYJPJNDGJ-QZQOTICOSA-N	-1	0	415.435	1.277	40	10		HDCBRM
CCOc1cccc(C=C2C(=O)N(CC)C(=S)N(CC)C2=O)c1OCC(=O)[O-]	ZINC000409212423	560695655	/nfs/dbraw/zinc/69/56/55/560695655.db2.gz	MDVXMZNNQJDJTK-UHFFFAOYSA-N	-1	0	406.460	1.928	40	10		HDCBRM
O=C([O-])CCN1C(=O)/C(=C/c2cc3cc4c(cc3[nH]c2=O)OCO4)SC1=S	ZINC000051330778	560875404	/nfs/dbraw/zinc/87/54/04/560875404.db2.gz	FFTGFRZQLLMVHZ-ACAGNQJTSA-N	-1	0	404.425	1.933	40	10		HDCBRM
COC(=O)[C@H](C)Oc1c(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cccc1[N+](=O)[O-]	ZINC000033551722	569360162	/nfs/dbraw/zinc/36/01/62/569360162.db2.gz	IMKCAPQPQNVWCE-CMHHUMAZSA-N	-1	0	411.370	1.997	40	10		HDCBRM
CCOC(=O)COc1c(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cccc1[N+](=O)[O-]	ZINC000033551673	569360240	/nfs/dbraw/zinc/36/02/40/569360240.db2.gz	LJZXXNZBPBMPEQ-PTNGSMBKSA-N	-1	0	411.370	1.998	40	10		HDCBRM
COc1ccc(/C=C2\SC(=S)N(CCS(=O)(=O)[O-])C2=O)c(OC)c1OC	ZINC000008821582	557810722	/nfs/dbraw/zinc/81/07/22/557810722.db2.gz	OYEOTEXIDHPGMF-FLIBITNWSA-N	-1	0	419.502	1.801	40	10		HDCBRM
CC(=O)N1c2ccccc2/C(=C2/SC(=S)N(CCS(=O)(=O)[O-])C2=O)C1=O	ZINC000008821617	557810771	/nfs/dbraw/zinc/81/07/71/557810771.db2.gz	GPCONGMFCIEUNN-QXMHVHEDSA-N	-1	0	412.470	1.039	40	10		HDCBRM
O=C1NC(=S)NC(=O)C1=Cc1cc(Br)c([O-])c(Br)c1	ZINC000059426354	558936383	/nfs/dbraw/zinc/93/63/83/558936383.db2.gz	IWEMRLDXULCSJJ-UHFFFAOYSA-N	-1	0	406.055	1.832	40	10		HDCBRM
O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccc(N2CCOCC2)cc1	ZINC000408948248	560657099	/nfs/dbraw/zinc/65/70/99/560657099.db2.gz	FDOZGNDODQSAPP-GZTJUZNOSA-N	-1	0	421.409	1.918	40	10		HDCBRM
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)ccc1OCC(N)=O	ZINC000408963255	560658620	/nfs/dbraw/zinc/65/86/20/560658620.db2.gz	YLXPIDYJULFRQO-RIYZIHGNSA-N	-1	0	413.361	1.365	40	10		HDCBRM
COc1cc(C=C2C(=O)[N-]C(=O)NC2=O)ccc1OCC(=O)Nc1cccc(C)c1	ZINC000409004660	560664253	/nfs/dbraw/zinc/66/42/53/560664253.db2.gz	BAWZZPBZMVUVQZ-UHFFFAOYSA-N	-1	0	409.398	1.771	40	10		HDCBRM
COc1cccc(C=C2C(=O)NC(=S)NC2=O)c1OCc1ccc(C(=O)[O-])cc1	ZINC000409187878	560688033	/nfs/dbraw/zinc/68/80/33/560688033.db2.gz	VLPYZQIMQATTQF-UHFFFAOYSA-N	-1	0	412.423	1.887	40	10		HDCBRM
COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OCC(N)=O)C2=O)cc1	ZINC000409222126	560698831	/nfs/dbraw/zinc/69/88/31/560698831.db2.gz	BLGZKCXUZJVFHE-XNTDXEJSSA-N	-1	0	423.381	1.004	40	10		HDCBRM
Cc1c2ccc(O)c(O)c2oc(=O)c1CC(=O)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12	ZINC000208195521	568443631	/nfs/dbraw/zinc/44/36/31/568443631.db2.gz	BOQVKKOXJFFZMT-UONOGXRCSA-N	-1	0	422.437	1.863	40	10		HDCBRM
CN1C(=O)C(=Cc2cc(Br)c([O-])c([N+](=O)[O-])c2)C(=O)N(C)C1=S	ZINC000059139272	568701703	/nfs/dbraw/zinc/70/17/03/568701703.db2.gz	LAUBIRNAPVXULV-UHFFFAOYSA-N	-1	0	400.210	1.662	40	10		HDCBRM
CCc1ccccc1N1C(=O)/C(=C\c2ccc(OCC(N)=O)cc2)C(=O)[N-]C1=S	ZINC000006544010	132311511	/nfs/dbraw/zinc/31/15/11/132311511.db2.gz	OTIHWZPGVJIHKB-WJDWOHSUSA-N	-1	0	409.467	1.944	40	10		HDCBRM
CCn1c2cc(Br)c(NC=C3C(=O)[N-]C(=O)NC3=O)cc2n(CC)c1=O	ZINC000408527540	557290200	/nfs/dbraw/zinc/29/02/00/557290200.db2.gz	DQIKUAVPSHRONK-UHFFFAOYSA-N	-1	0	422.239	1.267	40	10		HDCBRM
Cc1ccc(/C=C2/SC(=S)N(CC(=O)N[C@@H](CCC(N)=O)C(=O)[O-])C2=O)cc1	ZINC000008870078	557812754	/nfs/dbraw/zinc/81/27/54/557812754.db2.gz	PFHDAOJSFIKPNG-OXBCTQFSSA-N	-1	0	421.500	1.031	40	10		HDCBRM
COc1ccc([N+](=O)[O-])cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc3c(c2)OCO3)C1=O	ZINC000408946734	560656847	/nfs/dbraw/zinc/65/68/47/560656847.db2.gz	AWQTUMUOHSOEEF-NTUHNPAUSA-N	-1	0	411.326	1.999	40	10		HDCBRM
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)ccc1OCC(N)=O	ZINC000408966247	560658065	/nfs/dbraw/zinc/65/80/65/560658065.db2.gz	ODQFJKVPWVRJLF-MHWRWJLKSA-N	-1	0	423.425	1.924	40	10		HDCBRM
COc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)ccc1OCC(N)=O	ZINC000409263037	560704583	/nfs/dbraw/zinc/70/45/83/560704583.db2.gz	LIILAYOFADVEFV-ZROIWOOFSA-N	-1	0	411.439	1.391	40	10		HDCBRM
COc1c(Br)cc(C=C2C(=O)[N-]C(=O)NC2=O)cc1Br	ZINC000059426351	568706363	/nfs/dbraw/zinc/70/63/63/568706363.db2.gz	GBOBECIFZRHLEH-UHFFFAOYSA-N	-1	0	404.014	1.970	40	10		HDCBRM
Cc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c(C)cc1C=C1C(=O)[N-]C(=O)N(C)C1=O	ZINC000026779945	568831273	/nfs/dbraw/zinc/83/12/73/568831273.db2.gz	FHPPOISOHSQHMR-RIYZIHGNSA-N	-1	0	424.413	1.669	40	10		HDCBRM
COC(=O)[C@@H](C)Oc1c(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cccc1[N+](=O)[O-]	ZINC000033551720	569360231	/nfs/dbraw/zinc/36/02/31/569360231.db2.gz	IMKCAPQPQNVWCE-QJMZJAKPSA-N	-1	0	411.370	1.997	40	10		HDCBRM
Cc1nnc([N-]S(=O)(=O)c2ccc(NN=C3C(=O)N=C(N)N=C3N)cc2)s1	ZINC000017021127	558811959	/nfs/dbraw/zinc/81/19/59/558811959.db2.gz	RIQDSLDAAFAIQO-FMQUCBEESA-N	-1	0	407.441	1.723	40	10		HDCBRM
Cn1c(N)c(/N=N\c2ccc(S(=O)(=O)[N-]c3nccs3)cc2)c(=O)n(C)c1=O	ZINC000017426531	558827417	/nfs/dbraw/zinc/82/74/17/558827417.db2.gz	ZGICVIYWKXQXOW-HNENSFHCSA-N	-1	0	421.464	1.339	40	10		HDCBRM
CCOC(=O)c1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(S(N)(=O)=O)cc1	ZINC000100334447	559134258	/nfs/dbraw/zinc/13/42/58/559134258.db2.gz	REPFRJDEBJMEHB-IWKHNONTSA-N	-1	0	415.431	1.752	40	10		HDCBRM
O=C1[N-]C(=O)N(c2cccnc2)C(=O)/C1=C/c1ccc(I)o1	ZINC000409239294	560699666	/nfs/dbraw/zinc/69/96/66/560699666.db2.gz	MNHAILPBUFMWPR-UXBLZVDNSA-N	-1	0	409.139	1.946	40	10		HDCBRM
COc1ccc(N2CCN(C(=O)c3sc([N-]S(C)(=O)=O)nc3C)CC2)cc1	ZINC000225878683	568683213	/nfs/dbraw/zinc/68/32/13/568683213.db2.gz	DMGSPJDNLMJNGB-UHFFFAOYSA-N	-1	0	410.521	1.794	40	10		HDCBRM
C=CCc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(OC)c1OCC(N)=O	ZINC000108179797	569361256	/nfs/dbraw/zinc/36/12/56/569361256.db2.gz	RENZRDSLRZNPHW-BOPFTXTBSA-N	-1	0	407.426	1.749	40	10		HDCBRM
CC(=O)[C@]1(N=Nc2ccc(S(=O)(=O)[N-]c3nccc(C)n3)cc2)CCOC1=O	ZINC000044201761	518221315	/nfs/dbraw/zinc/22/13/15/518221315.db2.gz	QVALLBLMUZACOI-MBOBHEEDSA-N	-1	0	403.420	1.944	40	10		HDCBRM
Cc1c(C)c(N2C(=O)[N-]C(=O)C(=CNn3cnnc3)C2=O)ccc1Br	ZINC000408534355	557320709	/nfs/dbraw/zinc/32/07/09/557320709.db2.gz	QOAHAZIZASDAHX-BJMVGYQFSA-N	-1	0	405.212	1.368	40	10		HDCBRM
COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1[N+](=O)[O-]	ZINC000408949357	560656638	/nfs/dbraw/zinc/65/66/38/560656638.db2.gz	HTLLOTBIJCAYEZ-WUXMJOGZSA-N	-1	0	411.326	1.999	40	10		HDCBRM
N=c1nc(Sc2ccc(C=C3C(=O)[N-]C(=O)NC3=O)cc2[N+](=O)[O-])ss1	ZINC000059488810	568708032	/nfs/dbraw/zinc/70/80/32/568708032.db2.gz	IBOLFDLYYIUUFW-UHFFFAOYSA-N	-1	0	409.430	1.493	40	10		HDCBRM
COC(=O)[C@@H](C)Oc1ccc([N+](=O)[O-])cc1/C=C1/C(=O)[N-]N(c2ccccc2)C1=O	ZINC000108184862	569361275	/nfs/dbraw/zinc/36/12/75/569361275.db2.gz	SKUWVEXVAACGRO-COOUDCDJSA-N	-1	0	411.370	1.997	40	10		HDCBRM
Cc1ccc(/C=C2/SC(=S)N(CCC(=O)N[C@@H](CC(N)=O)C(=O)[O-])C2=O)cc1	ZINC000008870089	557812675	/nfs/dbraw/zinc/81/26/75/557812675.db2.gz	RAIIJIYJGPFQTK-OXBCTQFSSA-N	-1	0	421.500	1.031	40	10		HDCBRM
CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(C3CCCC3)C2=O)ccc1OCC(N)=O	ZINC000013546918	558538110	/nfs/dbraw/zinc/53/81/10/558538110.db2.gz	VYEGAISMFISZQC-ZROIWOOFSA-N	-1	0	401.419	1.354	40	10		HDCBRM
NC(=O)COc1ccc(Cl)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(O)cc2)C1=O	ZINC000409226586	560698203	/nfs/dbraw/zinc/69/82/03/560698203.db2.gz	VBRQHUQXEDFQEM-RIYZIHGNSA-N	-1	0	415.789	1.576	40	10		HDCBRM
CCOc1cc(/C=C2\SC(=S)N(CC(=O)[O-])C2=O)ccc1OCC(=O)OC	ZINC000409329541	560710110	/nfs/dbraw/zinc/71/01/10/560710110.db2.gz	FNUOUNNOSNXDGQ-QPEQYQDCSA-N	-1	0	411.457	1.923	40	10		HDCBRM
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)ccc1OCC(N)=O	ZINC000004999334	560736720	/nfs/dbraw/zinc/73/67/20/560736720.db2.gz	VYEGAISMFISZQC-NTEUORMPSA-N	-1	0	401.419	1.354	40	10		HDCBRM
COC(=O)[C@H](C)Oc1ccc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1[N+](=O)[O-]	ZINC000033661711	569360324	/nfs/dbraw/zinc/36/03/24/569360324.db2.gz	UYRQZMNSMIQQFO-GQVHDAKQSA-N	-1	0	411.370	1.997	40	10		HDCBRM
NC(=O)COc1c(Cl)cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1[N+](=O)[O-]	ZINC000107916882	569361049	/nfs/dbraw/zinc/36/10/49/569361049.db2.gz	WTGKCFBPKPTUPB-SDQBBNPISA-N	-1	0	416.777	1.574	40	10		HDCBRM
O=C1Nc2ccc(Cl)cc2/C1=C1/SC(=S)N(CCS(=O)(=O)[O-])C1=O	ZINC000005552919	557661396	/nfs/dbraw/zinc/66/13/96/557661396.db2.gz	PKBPXLBFTADRCM-KTKRTIGZSA-N	-1	0	404.878	1.751	40	10		HDCBRM
COc1ccccc1NC(=O)COc1cccc(C=C2C(=O)NC(=S)NC2=O)c1	ZINC000409369341	560716635	/nfs/dbraw/zinc/71/66/35/560716635.db2.gz	BCNZSUUEXNRSDT-UHFFFAOYSA-N	-1	0	411.439	1.627	40	10		HDCBRM
CCOC(=O)CN1C(=O)/C(=C/N2N=C(c3ccccc3)C[C@H]2C(=O)[O-])SC1=S	ZINC000256055341	568774802	/nfs/dbraw/zinc/77/48/02/568774802.db2.gz	CMVLZVTYYYQYJH-GFAPJHNFSA-N	-1	0	419.484	1.814	40	10		HDCBRM
CCOC(=O)c1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(S(N)(=O)=O)cc1	ZINC000100334440	559134226	/nfs/dbraw/zinc/13/42/26/559134226.db2.gz	REPFRJDEBJMEHB-MSVBSMQLSA-N	-1	0	415.431	1.752	40	10		HDCBRM
Cn1c(N)c(/N=N\c2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)c(=O)n(C)c1=O	ZINC000104090750	559157954	/nfs/dbraw/zinc/15/79/54/559157954.db2.gz	NATXRYYJPJNDGJ-MRCUWXFGSA-N	-1	0	415.435	1.277	40	10		HDCBRM
COc1cc(C=C2C(=O)[N-]C(=O)NC2=O)ccc1OCC(=O)Nc1ccccc1C	ZINC000409008524	560665861	/nfs/dbraw/zinc/66/58/61/560665861.db2.gz	XKOCYIJLQIYYMM-UHFFFAOYSA-N	-1	0	409.398	1.771	40	10		HDCBRM
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC(N)=O	ZINC000409225509	560698086	/nfs/dbraw/zinc/69/80/86/560698086.db2.gz	QKHRSLLBMFVYDA-CXUHLZMHSA-N	-1	0	423.425	1.843	40	10		HDCBRM
COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccc(OCC(N)=O)c3)C2=O)cc1	ZINC000409222781	560698961	/nfs/dbraw/zinc/69/89/61/560698961.db2.gz	CTMTVIYKGPMEPK-YBEGLDIGSA-N	-1	0	423.381	1.004	40	10		HDCBRM
Cn1c(/C=C2/SC(=S)N([C@@H](CCC(N)=O)C(=O)[O-])C2=O)nc2ccccc21	ZINC000005235980	557641053	/nfs/dbraw/zinc/64/10/53/557641053.db2.gz	BMHSXMQTJMDARE-SERMCNLOSA-N	-1	0	404.473	1.493	40	10		HDCBRM
CC(=O)[C@@]1(N=Nc2ccc(S(=O)(=O)[N-]c3nccc(C)n3)cc2)CCOC1=O	ZINC000104123363	559158144	/nfs/dbraw/zinc/15/81/44/559158144.db2.gz	QVALLBLMUZACOI-WXVFVKJXSA-N	-1	0	403.420	1.944	40	10		HDCBRM
NC(=O)COc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2cccc([N+](=O)[O-])c2)C1=O	ZINC000409219925	560697993	/nfs/dbraw/zinc/69/79/93/560697993.db2.gz	WQBIZQGHHYCVHZ-RIYZIHGNSA-N	-1	0	410.342	1.125	40	10		HDCBRM
COC(=O)[C@@H](C)Oc1ccc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1[N+](=O)[O-]	ZINC000033661713	569360294	/nfs/dbraw/zinc/36/02/94/569360294.db2.gz	UYRQZMNSMIQQFO-DYTQJMLRSA-N	-1	0	411.370	1.997	40	10		HDCBRM
CCOC(=O)COc1ccc([N+](=O)[O-])cc1/C=C1/C(=O)[N-]N(c2ccccc2)C1=O	ZINC000035144993	569360783	/nfs/dbraw/zinc/36/07/83/569360783.db2.gz	SXPGBEHHBVFJCH-WJDWOHSUSA-N	-1	0	411.370	1.998	40	10		HDCBRM
Cc1ccc(NC=C2C(=O)[N-]C(=O)N(C)C2=O)cc1CN1C(=O)c2ccccc2C1=O	ZINC000408526138	557287389	/nfs/dbraw/zinc/28/73/89/557287389.db2.gz	AESIRQLEBXEBKD-LICLKQGHSA-N	-1	0	418.409	1.795	40	10		HDCBRM
C[C@H](NC(=O)CCc1c([O-])[nH]c(=O)[nH]c1=O)c1ccc(N2CCC(C)CC2)cc1	ZINC000100781845	559140830	/nfs/dbraw/zinc/14/08/30/559140830.db2.gz	BTWSWSGGSJKUEE-AWEZNQCLSA-N	-1	0	400.479	1.863	40	10		HDCBRM
CC(=O)[C@]1(N=Nc2ccc(S(=O)(=O)[N-]c3nccc(C)n3)cc2)CCOC1=O	ZINC000104123367	559158152	/nfs/dbraw/zinc/15/81/52/559158152.db2.gz	QVALLBLMUZACOI-SLNYWTKHSA-N	-1	0	403.420	1.944	40	10		HDCBRM
O=C1[N-]C(=O)C(=Cc2ccc(OS(=O)(=O)c3ccccc3)c(Cl)c2)C(=O)N1	ZINC000409071903	560673400	/nfs/dbraw/zinc/67/34/00/560673400.db2.gz	QLWWPQDPWUDNIB-UHFFFAOYSA-N	-1	0	406.803	1.857	40	10		HDCBRM
O=C([O-])CN1C(=O)/C(=C/c2cc3cc4c(cc3[nH]c2=O)OCCO4)SC1=S	ZINC000051330776	560875430	/nfs/dbraw/zinc/87/54/30/560875430.db2.gz	FDPNBOXCUBYBBE-ACAGNQJTSA-N	-1	0	404.425	1.585	40	10		HDCBRM
Cn1c2ccc(NC=C3C(=O)[N-]C(=O)N(CCc4ccccc4)C3=O)cc2n(C)c1=O	ZINC000408533505	557317292	/nfs/dbraw/zinc/31/72/92/557317292.db2.gz	STDJYKFVRIFRKR-DTQAZKPQSA-N	-1	0	419.441	1.494	40	10		HDCBRM
COc1ccc(NC(=O)N/C=C2/C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc1	ZINC000408536765	557334622	/nfs/dbraw/zinc/33/46/22/557334622.db2.gz	AZCKITFNPCFEKP-WJDWOHSUSA-N	-1	0	410.386	1.992	40	10		HDCBRM
CCc1ccccc1N1C(=O)[N-]C(=O)C(=CNn2c(C)nc3ccccc3c2=O)C1=O	ZINC000408537342	557338708	/nfs/dbraw/zinc/33/87/08/557338708.db2.gz	ZZXAYYJILGJTGM-FOWTUZBSSA-N	-1	0	417.425	1.978	40	10		HDCBRM
O=C1[N-]C(=O)N(Cc2ccco2)C(=O)/C1=C\N1CCN(c2ccc3c(c2)OCO3)CC1	ZINC000408547079	557369895	/nfs/dbraw/zinc/36/98/95/557369895.db2.gz	RUTBMTFVSMIZQG-VBKFSLOCSA-N	-1	0	424.413	1.293	40	10		HDCBRM
NC(=O)CC[C@@H](NC(=O)CCN1C(=O)/C(=C\c2ccccc2)SC1=S)C(=O)[O-]	ZINC000008870070	557812742	/nfs/dbraw/zinc/81/27/42/557812742.db2.gz	RCUKURQFGHAFSM-GMCKNXKJSA-N	-1	0	421.500	1.113	40	10		HDCBRM
C[C@@H](NC(=O)CCc1c([O-])[nH]c(=O)[nH]c1=O)c1ccc(N2CCC(C)CC2)cc1	ZINC000100781843	559140817	/nfs/dbraw/zinc/14/08/17/559140817.db2.gz	BTWSWSGGSJKUEE-CQSZACIVSA-N	-1	0	400.479	1.863	40	10		HDCBRM
CCC(=O)Nc1nnc(S(=O)(=O)[N-]Cc2ccc(N3CCOCC3)cc2)s1	ZINC000225592846	568655441	/nfs/dbraw/zinc/65/54/41/568655441.db2.gz	LNKZRVRVGYGBRU-UHFFFAOYSA-N	-1	0	411.509	1.202	40	10		HDCBRM
CCOC(=O)[C@H]1[C@H](c2cc([N+](=O)[O-])ccc2[O-])NC(=S)N[C@]1(O)C(F)(F)F	ZINC000034909261	557475549	/nfs/dbraw/zinc/47/55/49/557475549.db2.gz	HFPVHFKMWIGMJN-GBIKHYSHSA-N	-1	0	409.342	1.249	40	10		HDCBRM
COc1cc(/C=C2\SC(=S)N(CCS(=O)(=O)[O-])C2=O)cc(OC)c1OC	ZINC000012274923	558363640	/nfs/dbraw/zinc/36/36/40/558363640.db2.gz	LERYHZSDWYSUJT-WQLSENKSSA-N	-1	0	419.502	1.801	40	10		HDCBRM
CCOC(=O)c1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(S(N)(=O)=O)cc1	ZINC000100334442	559134243	/nfs/dbraw/zinc/13/42/43/559134243.db2.gz	REPFRJDEBJMEHB-WGLILOHCSA-N	-1	0	415.431	1.752	40	10		HDCBRM
Cc1ccc(NC(=O)COC(=O)c2ccc(C=C3C(=O)[N-]C(=O)NC3=O)cc2)cc1	ZINC000409209066	560692063	/nfs/dbraw/zinc/69/20/63/560692063.db2.gz	FGQFUVCOGDKUSJ-UHFFFAOYSA-N	-1	0	407.382	1.540	40	10		HDCBRM
NC(=O)COc1cccc(/C=C2/C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)c1	ZINC000409222980	560698891	/nfs/dbraw/zinc/69/88/91/560698891.db2.gz	FTEMDWIMXNTUMJ-NVNXTCNLSA-N	-1	0	410.342	1.125	40	10		HDCBRM
COC(=O)Cn1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccncc3)C2=O)c2ccccc21	ZINC000409393701	560719481	/nfs/dbraw/zinc/71/94/81/560719481.db2.gz	SBADMMAXXAIMRJ-MHWRWJLKSA-N	-1	0	404.382	1.876	40	10		HDCBRM
O=C([O-])CN1C(=O)/C(=C\c2ccc(SCCO)c([N+](=O)[O-])c2)SC1=S	ZINC000032124631	527608523	/nfs/dbraw/zinc/60/85/23/527608523.db2.gz	BOHCTQMHPGHDLS-IZZDOVSWSA-N	-1	0	400.459	1.965	40	10		HDCBRM
CCc1ccccc1N1C(=O)[N-]C(=O)C(=CNc2ccc3c(c2)C(=O)NC3=O)C1=O	ZINC000408539528	557359671	/nfs/dbraw/zinc/35/96/71/557359671.db2.gz	WYYUHRHOSQAPIR-XNTDXEJSSA-N	-1	0	404.382	1.711	40	10		HDCBRM
COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C2/NC(=O)N(CC(=O)[O-])C2=O)c1C	ZINC000408596422	557514558	/nfs/dbraw/zinc/51/45/58/557514558.db2.gz	ZAPSYZVFMKWULM-VGOFMYFVSA-N	-1	0	414.374	1.988	40	10		HDCBRM
COc1ccc(/C=C2/SC(=S)N(CCC(=O)NCCC(=O)[O-])C2=O)cc1OC	ZINC000008870117	557812733	/nfs/dbraw/zinc/81/27/33/557812733.db2.gz	GFTXXIVYUMPIIV-GXDHUFHOSA-N	-1	0	424.500	1.886	40	10		HDCBRM
CN1C(=O)C(=Cc2cc([N+](=O)[O-])cc(Br)c2[O-])C(=O)N(C)C1=S	ZINC000408959986	560657644	/nfs/dbraw/zinc/65/76/44/560657644.db2.gz	BLWRQNWOSLOKSE-UHFFFAOYSA-N	-1	0	400.210	1.662	40	10		HDCBRM
CCOc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(N)=O)cc3)C2=O)c1	ZINC000408962057	560658408	/nfs/dbraw/zinc/65/84/08/560658408.db2.gz	GCXCCSFBLOOSBG-LICLKQGHSA-N	-1	0	409.398	1.616	40	10		HDCBRM
CN1C(=O)C(=Cc2cc(Br)ccc2OCC(=O)[O-])C(=O)N(C)C1=S	ZINC000059140075	568701821	/nfs/dbraw/zinc/70/18/21/568701821.db2.gz	WAVCTWCAWTVMQC-UHFFFAOYSA-N	-1	0	413.249	1.511	40	10		HDCBRM
CN1C(=O)C(=CNc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)C(=O)N(C)C1=O	ZINC000012139196	523677882	/nfs/dbraw/zinc/67/78/82/523677882.db2.gz	HKXIIHLTCUQIEC-UHFFFAOYSA-N	-1	0	421.460	1.290	40	10		HDCBRM
COc1ccc(N2C(=O)[N-]C(=O)C(=CNc3ccc4c(c3)n(C)c(=O)n4C)C2=O)cc1	ZINC000408535941	557325742	/nfs/dbraw/zinc/32/57/42/557325742.db2.gz	UTVKRHAFTXYHIZ-PTNGSMBKSA-N	-1	0	421.413	1.464	40	10		HDCBRM
NC(=O)CC[C@H](NC(=O)CCN1C(=O)/C(=C\c2ccccc2)SC1=S)C(=O)[O-]	ZINC000008870069	557812677	/nfs/dbraw/zinc/81/26/77/557812677.db2.gz	RCUKURQFGHAFSM-CVCOIXHCSA-N	-1	0	421.500	1.113	40	10		HDCBRM
Cn1c2cc(/C=C3\SC(=S)N(CC(=O)[O-])C3=O)c([N+](=O)[O-])cc2n(C)c1=O	ZINC000015009340	558699741	/nfs/dbraw/zinc/69/97/41/558699741.db2.gz	CVGZYKKWZYUQCA-WCIBSUBMSA-N	-1	0	408.417	1.071	40	10		HDCBRM
O=C1[N-]C(=O)C(=Cc2ccccc2OS(=O)(=O)c2cccc([N+](=O)[O-])c2)C(=O)N1	ZINC000408763547	560629422	/nfs/dbraw/zinc/62/94/22/560629422.db2.gz	GASZNVQEJUFFNT-UHFFFAOYSA-N	-1	0	417.355	1.112	40	10		HDCBRM
COc1ccc(C=C2C(=O)[N-]C(=O)NC2=O)cc1OS(=O)(=O)c1ccccc1	ZINC000408890170	560650127	/nfs/dbraw/zinc/65/01/27/560650127.db2.gz	PBOKQIZCBMNVNL-UHFFFAOYSA-N	-1	0	402.384	1.212	40	10		HDCBRM
COc1ccc(C=C2C(=O)[N-]C(=O)NC2=O)c(OCC(=O)Nc2cccc(C)c2)c1	ZINC000409046285	560669377	/nfs/dbraw/zinc/66/93/77/560669377.db2.gz	JTZPTQFDQFZQQK-UHFFFAOYSA-N	-1	0	409.398	1.771	40	10		HDCBRM
O=C([O-])CN1C(=O)C[C@H](N2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)C1=O	ZINC000100864140	569050274	/nfs/dbraw/zinc/05/02/74/569050274.db2.gz	FKIGOHQDZSZCDB-XZBXBXBBSA-N	-1	0	402.453	1.656	40	10		HDCBRM
CCOc1ccc(NC(=O)COc2ccc(C=C3C(=O)[N-]C(=O)NC3=O)cc2)cc1	ZINC000408755523	557817249	/nfs/dbraw/zinc/81/72/49/557817249.db2.gz	QPCQULYAAWHHAN-UHFFFAOYSA-N	-1	0	409.398	1.852	40	10		HDCBRM
Cn1c(=O)c(C2=NNC(=O)C2=CNc2ccc([N+](=O)[O-])cc2)c([O-])c2ccccc21	ZINC000100261063	559133490	/nfs/dbraw/zinc/13/34/90/559133490.db2.gz	DPCMZBNPNWZTDT-UVTDQMKNSA-N	-1	0	405.370	1.982	40	10		HDCBRM
O=C1[N-]C(=O)C(=Cc2cccc(OS(=O)(=O)c3ccccc3[N+](=O)[O-])c2)C(=O)N1	ZINC000408890280	560650148	/nfs/dbraw/zinc/65/01/48/560650148.db2.gz	QTLXEGMPGTZQQK-UHFFFAOYSA-N	-1	0	417.355	1.112	40	10		HDCBRM
O=C1[N-]C(=O)C(=Cc2cc(Cl)ccc2OS(=O)(=O)c2ccccc2)C(=O)N1	ZINC000409067594	560672473	/nfs/dbraw/zinc/67/24/73/560672473.db2.gz	FVNBLMHQIGGVHV-UHFFFAOYSA-N	-1	0	406.803	1.857	40	10		HDCBRM
Cc1cc(=O)[nH]c(Sc2ccc(C=C3C(=O)[N-]C(=O)NC3=O)cc2[N+](=O)[O-])n1	ZINC000409104442	560675578	/nfs/dbraw/zinc/67/55/78/560675578.db2.gz	ZSRYJBKNGUUZFU-UHFFFAOYSA-N	-1	0	401.360	1.299	40	10		HDCBRM
NC(=O)Cn1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)c2ccccc21	ZINC000107584199	569352659	/nfs/dbraw/zinc/35/26/59/569352659.db2.gz	BKNULSYARKDQRE-NTEUORMPSA-N	-1	0	406.373	1.932	40	10		HDCBRM
COc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(Cl)c1OCC(N)=O	ZINC000033536769	569360208	/nfs/dbraw/zinc/36/02/08/569360208.db2.gz	QPOONCZGFNAEQV-QPEQYQDCSA-N	-1	0	401.806	1.674	40	10		HDCBRM
CNS(=O)(=O)c1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc1	ZINC000004852158	132290565	/nfs/dbraw/zinc/29/05/65/132290565.db2.gz	GKLJKXWGIYGIKN-WJDWOHSUSA-N	-1	0	414.443	1.482	40	10		HDCBRM
Cc1cc([N-]S(=O)(=O)c2ccc(NN=C3C(=O)N=C(N)N=C3N)cc2)nc(C)n1	ZINC000017021115	558811859	/nfs/dbraw/zinc/81/18/59/558811859.db2.gz	RQJSHGPZNYSFHQ-WCWDXBQESA-N	-1	0	415.439	1.970	40	10		HDCBRM
CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(N)=O)cc3)C2=O)cc1	ZINC000408904111	560651741	/nfs/dbraw/zinc/65/17/41/560651741.db2.gz	DYDPJVGXTGMUJD-GZTJUZNOSA-N	-1	0	409.398	1.616	40	10		HDCBRM
COc1cc2c(cc1/C=C1\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C1=O)OCO2	ZINC000408951892	560657411	/nfs/dbraw/zinc/65/74/11/560657411.db2.gz	MVCIZWAZFDCMJQ-UUILKARUSA-N	-1	0	410.338	1.819	40	10		HDCBRM
NC(=O)COc1cccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)c1	ZINC000409217197	560697517	/nfs/dbraw/zinc/69/75/17/560697517.db2.gz	AJNCWSGVSBPUTK-DHDCSXOGSA-N	-1	0	410.342	1.125	40	10		HDCBRM