smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1c2c(cc(=O)n1C[C@@H]1CCCO1)[n-]n(-c1nc3ccccc3s1)c2=O	ZINC000669458779	570958216	/nfs/dbraw/zinc/95/82/16/570958216.db2.gz	YYHOGWSAZZDCNT-LBPRGKRZSA-O	-1	0	383.453	1.643	50	10		GDCARM
CCOC(=O)c1ccccc1N=Cc1c(C)[n-]n([C@H]2CCS(=O)(=O)C2)c1=O	ZINC000009422354	204311036	/nfs/dbraw/zinc/31/10/36/204311036.db2.gz	KKRKZDNMRZXSOF-LERPTODRSA-N	-1	0	391.449	1.564	50	10		GDCARM
CCOC(=O)COc1ccc(C=C2C(=O)[N-]C(=O)NC2=O)cc1Br	ZINC000001198861	530531382	/nfs/dbraw/zinc/53/13/82/530531382.db2.gz	BAXNKGVYKNYGJE-UHFFFAOYSA-N	-1	0	397.181	1.140	50	10		GDCARM
CCN1C(=O)C(=Cc2cc(Br)ccc2OCC(=O)[O-])NC1=S	ZINC000001163192	203891205	/nfs/dbraw/zinc/89/12/05/203891205.db2.gz	QCWIQROHKCOXKY-POHAHGRESA-N	-1	0	385.239	1.990	50	10		GDCARM
CCOC(=O)COc1ccc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)cc1	ZINC000006463476	204180068	/nfs/dbraw/zinc/18/00/68/204180068.db2.gz	OSBHQKYBZMRYDT-KPKJPENVSA-N	-1	0	381.431	1.914	50	10		GDCARM
O=C1[N-]C(=O)N(CCc2ccccc2)C(=O)C1=CNc1cccc2nonc21	ZINC000009340685	204308472	/nfs/dbraw/zinc/30/84/72/204308472.db2.gz	CWSCPFOHBSPULU-ACCUITESSA-N	-1	0	377.360	1.840	50	10		GDCARM
O=C(CN1CCN(c2ccccc2O)CC1)NCc1cc([N+](=O)[O-])ccc1[O-]	ZINC000024166360	570380058	/nfs/dbraw/zinc/38/00/58/570380058.db2.gz	BOROWKFIIHGPRA-UHFFFAOYSA-N	-1	0	386.408	1.444	50	10		GDCARM
CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(O)c(NC(=O)C3CC3)c2)cn1C	ZINC000040154788	205059450	/nfs/dbraw/zinc/05/94/50/205059450.db2.gz	JTESBFHSWMIZTD-UHFFFAOYSA-N	-1	0	392.437	1.240	50	10		GDCARM
COC(=O)c1ccc(N2[N-]C(=O)/C(=C/c3ccc(OC)c(OC)c3)C2=O)cc1	ZINC000000666821	570215364	/nfs/dbraw/zinc/21/53/64/570215364.db2.gz	ZEIGMPJYHXFANB-GDNBJRDFSA-N	-1	0	382.372	1.952	50	10		GDCARM
O=C1[N-]C(=O)N(c2cccc3ccccc32)C(=O)C1=CNCCN1CCOCC1	ZINC000020024583	570235604	/nfs/dbraw/zinc/23/56/04/570235604.db2.gz	BJUYLVQNXQMDRQ-VKAVYKQESA-N	-1	0	394.431	1.228	50	10		GDCARM
CCc1cc2c(C)cc(=O)oc2c(CN2CCN(S(C)(=O)=O)CC2)c1[O-]	ZINC000012880443	570282443	/nfs/dbraw/zinc/28/24/43/570282443.db2.gz	OFCSFTADIARABH-UHFFFAOYSA-N	-1	0	380.466	1.447	50	10		GDCARM
COc1ccc(/C=C2\SC(=S)N([C@@H](CC(N)=O)C(=O)[O-])C2=O)cc1OC	ZINC000022204229	570307839	/nfs/dbraw/zinc/30/78/39/570307839.db2.gz	GXGWQBFVJNOJES-TXEUWIOXSA-N	-1	0	396.446	1.234	50	10		GDCARM
CCOc1cc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)ccc1OCC(N)=O	ZINC000009310689	204307504	/nfs/dbraw/zinc/30/75/04/204307504.db2.gz	ZSKMAOAVJAUUNY-WUXMJOGZSA-N	-1	0	396.446	1.235	50	10		GDCARM
O=C([O-])CN1C(=O)C[C@H](N2C(=O)/C(=C/c3cccs3)SC2=S)C1=O	ZINC000010386606	221102802	/nfs/dbraw/zinc/10/28/02/221102802.db2.gz	DWZMEJUPOTUPBH-ZKUGPGMGSA-N	-1	0	382.444	1.161	50	10		GDCARM
COc1ccc(CNC=C2C(=O)[N-]C(=O)N(c3cccc(OC)c3)C2=O)cc1	ZINC000019608221	571021800	/nfs/dbraw/zinc/02/18/00/571021800.db2.gz	UQQJNLVSEYAWFL-ATVHPVEESA-N	-1	0	381.388	1.960	50	10		GDCARM
CN(C)S(=O)(=O)c1ccc(N=Cc2c(=O)n(C)[n-]c2C(F)(F)F)cc1	ZINC000100257843	530823638	/nfs/dbraw/zinc/82/36/38/530823638.db2.gz	DJBCLRNEINWEAP-FLIBITNWSA-N	-1	0	376.360	1.623	50	10		GDCARM
Cn1c2nc(N=NNc3ccc(Br)cc3)[n-]c2c(=O)n(C)c1=O	ZINC000100729085	530823666	/nfs/dbraw/zinc/82/36/66/530823666.db2.gz	HGDHDHWSRWJCPU-UHFFFAOYSA-N	-1	0	378.190	1.834	50	10		GDCARM
NC(=O)CN1c2ccccc2C(=O)N[C@H]1c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000012527973	570832154	/nfs/dbraw/zinc/83/21/54/570832154.db2.gz	XOUSZKBCDIYBGP-OAHLLOKOSA-N	-1	0	376.756	1.688	50	10		GDCARM
Cc1c2c(cc(=O)n1Cc1cccnc1)[n-]n(-c1nc3ccccc3s1)c2=O	ZINC000669458773	570958375	/nfs/dbraw/zinc/95/83/75/570958375.db2.gz	CWHQKPQFKBQMLR-UHFFFAOYSA-O	-1	0	390.448	1.907	50	10		GDCARM
COc1ccc(N(CC(=O)[O-])CC(=O)NCc2cccc(OC)c2OC)cc1	ZINC000034926466	570548049	/nfs/dbraw/zinc/54/80/49/570548049.db2.gz	GJJBNXCXPKMKET-UHFFFAOYSA-N	-1	0	388.420	1.920	50	10		GDCARM
Cc1cccc(NC(=O)COc2ccccc2C=C2C(=O)[N-]C(=O)NC2=O)c1	ZINC000001116044	570931374	/nfs/dbraw/zinc/93/13/74/570931374.db2.gz	JQGFSGKVNDPOHP-UHFFFAOYSA-N	-1	0	379.372	1.762	50	10		GDCARM
COc1ccc(N2C(=O)[N-]C(=O)C(=CNCc3ccc4c(c3)OCO4)C2=O)cc1	ZINC000005995944	204161784	/nfs/dbraw/zinc/16/17/84/204161784.db2.gz	ADHYKOSZVHSSJR-GDNBJRDFSA-N	-1	0	395.371	1.680	50	10		GDCARM
CS(=O)(=O)[N-]c1ccccc1C(=O)NCc1ccc(N2CCOCC2)cc1	ZINC000010112145	204330423	/nfs/dbraw/zinc/33/04/23/204330423.db2.gz	KEXHIXYWXCPIQZ-UHFFFAOYSA-N	-1	0	389.477	1.825	50	10		GDCARM
CN1C(=O)/C(=C2\SC(=S)N(CCS(=O)(=O)[O-])C2=O)c2ccccc21	ZINC000005525761	205769868	/nfs/dbraw/zinc/76/98/68/205769868.db2.gz	LULZIYJGIQRKRF-KHPPLWFESA-N	-1	0	384.460	1.122	50	10		GDCARM
COc1ccc(N2C(=O)[N-]C(=O)C(=CN[C@H](CO)Cc3ccccc3)C2=O)cc1	ZINC000020623433	570273016	/nfs/dbraw/zinc/27/30/16/570273016.db2.gz	VEYZTIXVPJNVLK-BRYHAGSVSA-N	-1	0	395.415	1.355	50	10		GDCARM
COC(=O)c1cccc(-n2c(C)cc(C=C3C(=O)[N-]C(=O)NC3=O)c2C)c1C	ZINC000001181051	570791332	/nfs/dbraw/zinc/79/13/32/570791332.db2.gz	NOIJCWINKNCHTF-UHFFFAOYSA-N	-1	0	381.388	1.939	50	10		GDCARM
COc1ccc(N2CCN(S(=O)(=O)c3ccc(C(=O)[O-])cc3)CC2)cc1	ZINC000000892117	136193086	/nfs/dbraw/zinc/19/30/86/136193086.db2.gz	MHWNTBXMDMOTLZ-UHFFFAOYSA-N	-1	0	376.434	1.904	50	10		GDCARM
CC(C)c1ccc(N2C(=O)[N-]C(=O)C(=CNCCN3CCOCC3)C2=O)cc1	ZINC000020023444	570235178	/nfs/dbraw/zinc/23/51/78/570235178.db2.gz	WPDZSWWLPPDWQT-GHRIWEEISA-N	-1	0	386.452	1.199	50	10		GDCARM
COc1ccc(C=C2C(=O)[N-]C(=O)NC2=O)cc1OC(=O)c1ccc(C)cc1	ZINC000001178804	570790461	/nfs/dbraw/zinc/79/04/61/570790461.db2.gz	WGVPLKXZGBSGKK-UHFFFAOYSA-N	-1	0	380.356	1.972	50	10		GDCARM
COc1ccc(C(=O)Oc2ccc(C=C3C(=O)[N-]C(=O)NC3=O)cc2OC)cc1	ZINC000001175949	570790503	/nfs/dbraw/zinc/79/05/03/570790503.db2.gz	JFQWMCNEHVCUFW-UHFFFAOYSA-N	-1	0	396.355	1.672	50	10		GDCARM
COc1ccc(/N=N/c2ccccc2)cc1S(=O)(=O)N[C@@H](CO)C(=O)[O-]	ZINC000104766378	570905156	/nfs/dbraw/zinc/90/51/56/570905156.db2.gz	RMLSDKUVVUGAAA-BZSIDJSBSA-N	-1	0	379.394	1.834	50	10		GDCARM
Cc1c2c(cc(=O)n1Cc1ccccn1)[n-]n(-c1nc3ccccc3s1)c2=O	ZINC000669724389	570932898	/nfs/dbraw/zinc/93/28/98/570932898.db2.gz	FTJCQCKIDJQELO-UHFFFAOYSA-O	-1	0	390.448	1.907	50	10		GDCARM
COc1cc(/C=C2/SC(NC(C)=O)=NC2=O)cc(Cl)c1OCC(=O)[O-]	ZINC000012469512	530556033	/nfs/dbraw/zinc/55/60/33/530556033.db2.gz	UDYXESHLYBHEMU-VZUCSPMQSA-N	-1	0	384.797	1.918	50	10		GDCARM
CCOc1ccc(N2C(=O)C(=CNN3CCOCC3)C(=O)[N-]C2=S)cc1	ZINC000017015714	136202144	/nfs/dbraw/zinc/20/21/44/136202144.db2.gz	HEAKQJHYBHDIHM-SDNWHVSQSA-N	-1	0	376.438	1.394	50	10		GDCARM
O=C1[N-]C(=S)N(c2cccc(Cl)c2)C(=O)C1=CNCCCn1ccnc1	ZINC000019997478	570234592	/nfs/dbraw/zinc/23/45/92/570234592.db2.gz	VARVTQGGKZRELY-GXDHUFHOSA-N	-1	0	389.868	1.848	50	10		GDCARM
O=C([O-])CN1C(=O)C[C@@H](N2C(=O)/C(=C\c3cccs3)SC2=S)C1=O	ZINC000102628591	644598815	/nfs/dbraw/zinc/59/88/15/644598815.db2.gz	DWZMEJUPOTUPBH-SXPLAPADSA-N	-1	0	382.444	1.161	50	10		GDCARM
Cc1ccc2c(c1)/C(=C1/SC(=S)N(CCS(=O)(=O)[O-])C1=O)C(=O)N2	ZINC000005552923	530539856	/nfs/dbraw/zinc/53/98/56/530539856.db2.gz	JOBFJVGMBTWUBI-KHPPLWFESA-N	-1	0	384.460	1.406	50	10		GDCARM
COc1cc([N-]S(=O)(=O)c2ncn(C)c2Cl)ccc1NS(C)(=O)=O	ZINC000032088000	204908853	/nfs/dbraw/zinc/90/88/53/204908853.db2.gz	DEUWQDHFLOKKPM-UHFFFAOYSA-N	-1	0	394.862	1.254	50	10		GDCARM
CC1=NN(c2nnn[n-]2)C(=O)C1=Cc1ccc(-c2ccc3c(c2)COC3=O)o1	ZINC000012406195	570653541	/nfs/dbraw/zinc/65/35/41/570653541.db2.gz	VSYUXSIYJZANAE-AUWJEWJLSA-N	-1	0	376.332	1.936	50	10		GDCARM
COc1ccc(/C=C2\SC(=S)N([C@@H](CC(N)=O)C(=O)[O-])C2=O)c(OC)c1	ZINC000016712284	570931750	/nfs/dbraw/zinc/93/17/50/570931750.db2.gz	BDXHCBHRPXPEOK-IUIMMGEKSA-N	-1	0	396.446	1.234	50	10		GDCARM
Cc1c2c(cc(=O)n1CCc1c[nH]cn1)[n-]n(-c1nc3ccccc3s1)c2=O	ZINC000669458775	570958272	/nfs/dbraw/zinc/95/82/72/570958272.db2.gz	PLLXXGHEDZWKGG-UHFFFAOYSA-O	-1	0	393.452	1.430	50	10		GDCARM
COc1cc(C=C2C(=O)[N-]C(=O)NC2=O)cc(Br)c1OC(C)C	ZINC000002970206	530533813	/nfs/dbraw/zinc/53/38/13/530533813.db2.gz	YAIVBSZHJCEUKM-UHFFFAOYSA-N	-1	0	383.198	1.994	50	10		GDCARM
COc1ccc(/C=C2\SC(=S)N(CCS(=O)(=O)[O-])C2=O)cc1OC	ZINC000004291524	530535462	/nfs/dbraw/zinc/53/54/62/530535462.db2.gz	ZTOHTPVLBINVCP-WQLSENKSSA-N	-1	0	389.476	1.793	50	10		GDCARM
NC(=O)Cn1cc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)c2ccccc21	ZINC000004738525	204071391	/nfs/dbraw/zinc/07/13/91/204071391.db2.gz	UNXGICNRPMRYTR-LFYBBSHMSA-N	-1	0	375.431	1.412	50	10		GDCARM
C[C@]1(C(=O)[O-])[NH2+][C@H](c2ccccc2O)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21	ZINC000239339273	570544298	/nfs/dbraw/zinc/54/42/98/570544298.db2.gz	LXVLZXGVQUQIKJ-WOYCLPQFSA-N	-1	0	380.400	1.681	50	10		GDCARM
O=C([O-])[C@@H]1SCCN1S(=O)(=O)c1ccc(/N=N/N2CCOCC2)cc1	ZINC000000866383	530531125	/nfs/dbraw/zinc/53/11/25/530531125.db2.gz	LUFWANKMKMLTFJ-ZGTROFRASA-N	-1	0	386.455	1.166	50	10		GDCARM
CC(=O)N1C(=O)/C(=C2\SC(=S)N([C@@H](C)C(=O)[O-])C2=O)c2ccccc21	ZINC000001867476	530532232	/nfs/dbraw/zinc/53/22/32/530532232.db2.gz	ZDPSKPCXGLOTDE-VCKOUUQGSA-N	-1	0	376.415	1.624	50	10		GDCARM
COCCN1C(=O)c2ccc(C(=O)Nc3ccc(O)cc3C(=O)[O-])cc2C1=O	ZINC000002863157	203969409	/nfs/dbraw/zinc/96/94/09/203969409.db2.gz	NLCXTIATDDDHAY-UHFFFAOYSA-N	-1	0	384.344	1.585	50	10		GDCARM
NC(=O)Cn1cc(/C=C2/C(=O)[N-]C(=O)N(C3CCCC3)C2=O)c2ccccc21	ZINC000004739846	204071733	/nfs/dbraw/zinc/07/17/33/204071733.db2.gz	SGLBZJGNYGVPPY-DHDCSXOGSA-N	-1	0	380.404	1.531	50	10		GDCARM
O=C1[N-]C(=S)N(c2ccc(F)cc2)C(=O)C1=CNCc1ccc2c(c1)OCO2	ZINC000005626272	204142473	/nfs/dbraw/zinc/14/24/73/204142473.db2.gz	LTHCAEARZLQSMK-ZROIWOOFSA-N	-1	0	399.403	1.976	50	10		GDCARM
COCCCN1C(=O)[N-]C(=O)C(=CNc2cccc(-c3ccc(CO)o3)c2)C1=O	ZINC000009305292	204306379	/nfs/dbraw/zinc/30/63/79/204306379.db2.gz	NTDOMQMIJDCZFR-LFIBNONCSA-N	-1	0	399.403	1.850	50	10		GDCARM
COc1ccc(OCCOc2ccc(C=C3C(=O)[N-]C(=O)NC3=O)cc2)cc1	ZINC000002977764	570321531	/nfs/dbraw/zinc/32/15/31/570321531.db2.gz	WIFGHZAYPZRZHP-UHFFFAOYSA-N	-1	0	382.372	1.902	50	10		GDCARM
NC(=O)CN1c2ccccc2C(=O)N[C@@H]1c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000012527972	570832129	/nfs/dbraw/zinc/83/21/29/570832129.db2.gz	XOUSZKBCDIYBGP-HNNXBMFYSA-N	-1	0	376.756	1.688	50	10		GDCARM
O=C1[N-]C(=S)N(c2ccc(Cl)cc2)C(=O)C1=CNCCN1CCOCC1	ZINC000102604224	136196337	/nfs/dbraw/zinc/19/63/37/136196337.db2.gz	OETFHNANJWSMHS-KAMYIIQDSA-N	-1	0	394.884	1.305	50	10		GDCARM
CCOc1cc(/C=C2\SC(=S)N(CCS(=O)(=O)[O-])C2=O)ccc1O	ZINC000013775165	530560031	/nfs/dbraw/zinc/56/00/31/530560031.db2.gz	SZNVQNHUWPEJKZ-WQLSENKSSA-N	-1	0	389.476	1.880	50	10		GDCARM
O=C1Nc2ccc(F)cc2/C1=C1/SC(=S)N(CCS(=O)(=O)[O-])C1=O	ZINC000004291585	205741918	/nfs/dbraw/zinc/74/19/18/205741918.db2.gz	SIAPXNFRKIGYQJ-KTKRTIGZSA-N	-1	0	388.423	1.237	50	10		GDCARM
O=C1[N-]C(=S)N(c2ccccc2)C(=O)C1=CNCc1ccc2c(c1)OCO2	ZINC000101034545	136196044	/nfs/dbraw/zinc/19/60/44/136196044.db2.gz	QQOZRICJVXNLGT-GXDHUFHOSA-N	-1	0	381.413	1.837	50	10		GDCARM
CCOC(=O)C1CCN(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)CC1	ZINC000101318865	535596981	/nfs/dbraw/zinc/59/69/81/535596981.db2.gz	RJMKAIKDWYOHPB-FOWTUZBSSA-N	-1	0	385.420	1.737	50	10		GDCARM
CN1C(=O)C(=CNC[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)C(=O)N(C)C1=O	ZINC000020621743	570272971	/nfs/dbraw/zinc/27/29/71/570272971.db2.gz	RLNSXZAVUWJHMX-LLVKDONJSA-N	-1	0	379.800	1.422	50	10		GDCARM
COc1cc(/C=C2\SC(N3CCOCC3)=NC2=O)ccc1OCC(=O)[O-]	ZINC000005017018	204103423	/nfs/dbraw/zinc/10/34/23/204103423.db2.gz	RCBHTFJJASXZJL-ZROIWOOFSA-N	-1	0	378.406	1.461	50	10		GDCARM
Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1ccc(S(=O)(=O)NC(=N)N)cc1	ZINC000100298732	570350103	/nfs/dbraw/zinc/35/01/03/570350103.db2.gz	GAIRZAYKUNFYEQ-LFIBNONCSA-N	-1	0	398.448	1.577	50	10		GDCARM
COc1ccc(/N=N/c2ccccc2)cc1S(=O)(=O)N[C@H](CO)C(=O)[O-]	ZINC000104766381	570905086	/nfs/dbraw/zinc/90/50/86/570905086.db2.gz	RMLSDKUVVUGAAA-OYLHUBKDSA-N	-1	0	379.394	1.834	50	10		GDCARM
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N4CCOCC4)o3)C2=O)cc1	ZINC000006405512	570406088	/nfs/dbraw/zinc/40/60/88/570406088.db2.gz	WIGHSYXRXJYBJG-FOWTUZBSSA-N	-1	0	397.387	1.791	50	10		GDCARM
Cc1cccc(N2C(=O)[N-]C(=O)C(=CNc3ccc4[nH]c(=O)[nH]c4c3)C2=O)c1	ZINC000101125569	570815705	/nfs/dbraw/zinc/81/57/05/570815705.db2.gz	WQKNJXBUGSXTKO-LCYFTJDESA-N	-1	0	377.360	1.743	50	10		GDCARM
O=C([O-])CN1C(=O)C[C@H](N2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)C1=O	ZINC000019910974	207170377	/nfs/dbraw/zinc/17/03/77/207170377.db2.gz	ALYMXOLJXZPQNH-QIMWGGGBSA-N	-1	0	394.405	1.239	50	10		GDCARM
COc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)ccc1O[C@H](C)C(=O)[O-]	ZINC000096593843	209016670	/nfs/dbraw/zinc/01/66/70/209016670.db2.gz	QIEXPUFQLNMVCC-SECBINFHSA-N	-1	0	378.406	1.146	50	10		GDCARM
O=C1[N-]C(=S)N(c2ccccc2)C(=O)C1=CNCc1ccc2c(c1)OCO2	ZINC000005626442	570675688	/nfs/dbraw/zinc/67/56/88/570675688.db2.gz	QQOZRICJVXNLGT-UVTDQMKNSA-N	-1	0	381.413	1.837	50	10		GDCARM
CCOC(=O)C1=C(CC)Nc2ccccc2N=C1NC=C1C(=O)[N-]C(=O)NC1=O	ZINC000006910305	570699281	/nfs/dbraw/zinc/69/92/81/570699281.db2.gz	OWKJLOWTUDAZPI-UHFFFAOYSA-N	-1	0	397.391	1.209	50	10		GDCARM
CN(C)c1ccc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc1[N+](=O)[O-]	ZINC000004819282	570730298	/nfs/dbraw/zinc/73/02/98/570730298.db2.gz	CGTINFMRSBFPAR-MDWZMJQESA-N	-1	0	384.348	1.916	50	10		GDCARM
COCCN1C(=O)/C(=C2\c3ccccc3N(CC(=O)[O-])C2=O)SC1=S	ZINC000002688848	530532631	/nfs/dbraw/zinc/53/26/31/530532631.db2.gz	YQYIMEFXINJQKN-SEYXRHQNSA-N	-1	0	378.431	1.336	50	10		GDCARM
COC(=O)c1ccc(-n2c(C)cc(/C=C3/C(=O)[N-]C(=O)N(C)C3=O)c2C)cc1	ZINC000013942049	207004946	/nfs/dbraw/zinc/00/49/46/207004946.db2.gz	DWCZQBRKWMVRFX-YBEGLDIGSA-N	-1	0	381.388	1.972	50	10		GDCARM
CCN(CC)c1ccc([C@H]2CC(c3c(=O)[nH]c(=O)n(C)c3[O-])=NN2C(C)=O)cc1	ZINC000101765940	208399087	/nfs/dbraw/zinc/39/90/87/208399087.db2.gz	SXYRWAKEEPSMBD-MRXNPFEDSA-N	-1	0	399.451	1.323	50	10		GDCARM
O=c1[nH]cnc2c1CCN(S(=O)(=O)c1cc(Cl)cc(Cl)c1[O-])C2	ZINC000072154814	450592360	/nfs/dbraw/zinc/59/23/60/450592360.db2.gz	QUMXQDDIXAOXLH-UHFFFAOYSA-N	-1	0	376.221	1.529	50	10		GDCARM
COC(=O)c1ccccc1N=Cc1c(C)[n-]n([C@@H]2CCS(=O)(=O)C2)c1=O	ZINC000101491204	570824891	/nfs/dbraw/zinc/82/48/91/570824891.db2.gz	CWNCNYKRMAKPFE-ZMTLZGASSA-N	-1	0	377.422	1.174	50	10		GDCARM
CCN1C(=O)/C(=C2\SC(=S)N(CCS(=O)(=O)[O-])C2=O)c2ccccc21	ZINC000004549113	530536782	/nfs/dbraw/zinc/53/67/82/530536782.db2.gz	ISGJRITZRFGHAR-QXMHVHEDSA-N	-1	0	398.487	1.512	50	10		GDCARM
COc1ccc(OC)c(N2C(=O)C(=CNN3CCOCC3)C(=O)[N-]C2=S)c1	ZINC000016945260	207080383	/nfs/dbraw/zinc/08/03/83/207080383.db2.gz	KUUZUHTZDJCWHF-BENRWUELSA-N	-1	0	392.437	1.013	50	10		GDCARM
COc1ccc(NC=C2C(=O)N([C@H]3CCS(=O)(=O)C3)N=C2C)c(OC)c1	ZINC000101480755	208393716	/nfs/dbraw/zinc/39/37/16/208393716.db2.gz	AZSVRNUILZNWSV-IGVUGNCQSA-N	-1	0	379.438	1.405	50	10		GDCARM
Cc1cc(C)c(N2C(=O)[N-]C(=O)C(=CNCCCn3ccnc3)C2=O)c(C)c1	ZINC000100775253	136196101	/nfs/dbraw/zinc/19/61/01/136196101.db2.gz	NCMCHYVRMYKKBE-LFIBNONCSA-N	-1	0	381.436	1.955	50	10		GDCARM
O=C([O-])CCN1C(=O)C[C@@H](N2C(=O)/C(=C/c3ccccc3)SC2=S)C1=O	ZINC000001797065	570425465	/nfs/dbraw/zinc/42/54/65/570425465.db2.gz	XYTKSEPRESXXGI-HQQGHWSLSA-N	-1	0	390.442	1.490	50	10		GDCARM
Cc1cc(C(=O)NCCc2n[nH]c(=O)[n-]2)c(C)n1-c1ccc2c(c1)OCCO2	ZINC000072306736	570524627	/nfs/dbraw/zinc/52/46/27/570524627.db2.gz	LULHDQXQZQHKRT-UHFFFAOYSA-N	-1	0	383.408	1.249	50	10		GDCARM
COC(=O)c1ccccc1N=Cc1c(C)[n-]n([C@H]2CCS(=O)(=O)C2)c1=O	ZINC000101491207	570825062	/nfs/dbraw/zinc/82/50/62/570825062.db2.gz	CWNCNYKRMAKPFE-IGVUGNCQSA-N	-1	0	377.422	1.174	50	10		GDCARM
COC(=O)c1ccc(/C=C2\SC(=S)N(CCS(=O)(=O)[O-])C2=O)cc1	ZINC000004291561	530535253	/nfs/dbraw/zinc/53/52/53/530535253.db2.gz	JFPGJQMBRZHARS-FLIBITNWSA-N	-1	0	387.460	1.562	50	10		GDCARM
COc1ccc(OC)c(N2C(=O)[N-]C(=O)C(=Cc3ccc([N+](=O)[O-])o3)C2=O)c1	ZINC000009183609	206306729	/nfs/dbraw/zinc/30/67/29/206306729.db2.gz	ROQAODWCWUSFSX-XFFZJAGNSA-N	-1	0	387.304	1.871	50	10		GDCARM
CN1C(=O)/C(=C/c2ccc(OCC(=O)[O-])c(Br)c2)C(=O)NC1=S	ZINC000004724057	206546770	/nfs/dbraw/zinc/54/67/70/206546770.db2.gz	PQHUFNCZURVCSI-XBXARRHUSA-N	-1	0	399.222	1.169	50	10		GDCARM
CCOC(=O)C1CCN(/C=C2/C(=O)[N-]C(=O)N(Cc3ccccc3)C2=O)CC1	ZINC000016212467	207074652	/nfs/dbraw/zinc/07/46/52/207074652.db2.gz	CZGORZMATSKYOJ-SSZFMOIBSA-N	-1	0	385.420	1.424	50	10		GDCARM
O=C1[N-]C(=S)N(c2ccc(Cl)cc2)C(=O)C1=CNCCCn1ccnc1	ZINC000019995078	207173239	/nfs/dbraw/zinc/17/32/39/207173239.db2.gz	RNIORFRVQLLAHE-GXDHUFHOSA-N	-1	0	389.868	1.848	50	10		GDCARM
CCOc1ccc(N2C(=O)C(=CNCCCn3ccnc3)C(=O)[N-]C2=S)cc1	ZINC000019995258	207173749	/nfs/dbraw/zinc/17/37/49/207173749.db2.gz	FFFDVKGUCWPVCI-FOWTUZBSSA-N	-1	0	399.476	1.593	50	10		GDCARM
CN1C(=O)C(=CNC[C@H](CC(=O)[O-])c2ccc(Cl)cc2)C(=O)N(C)C1=O	ZINC000020621746	207207111	/nfs/dbraw/zinc/20/71/11/207207111.db2.gz	RLNSXZAVUWJHMX-NSHDSACASA-N	-1	0	379.800	1.422	50	10		GDCARM
Cc1c(C)c(=O)oc2c1ccc([O-])c2CN1CCN(S(=O)(=O)N(C)C)CC1	ZINC000079479464	208075749	/nfs/dbraw/zinc/07/57/49/208075749.db2.gz	SHOFNAWFZQEIBR-UHFFFAOYSA-N	-1	0	395.481	1.039	50	10		GDCARM
O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC=C1C(=O)NC(=S)N(C2CC2)C1=O	ZINC000002591038	570291927	/nfs/dbraw/zinc/29/19/27/570291927.db2.gz	OVVSRKVFZIPABV-BMQCOBNYSA-N	-1	0	398.444	1.043	50	10		GDCARM
COc1ccc(CCN2C(=O)[N-]C(=O)C(=CNCc3ccco3)C2=O)cc1OC	ZINC000005703490	570830851	/nfs/dbraw/zinc/83/08/51/570830851.db2.gz	ZRKNVNKMGUQECR-QINSGFPZSA-N	-1	0	399.403	1.591	50	10		GDCARM
CN(C)c1ccc(C=c2[n-]c(=O)c(=Cc3ccc(N(C)C)cc3)[nH]c2=O)cc1	ZINC000253532741	206284392	/nfs/dbraw/zinc/28/43/92/206284392.db2.gz	YBDCSKNFSXQMSN-UHFFFAOYSA-N	-1	0	376.460	1.677	50	10		GDCARM
CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2cccc3nsnc32)ccc1C	ZINC000019079205	207100838	/nfs/dbraw/zinc/10/08/38/207100838.db2.gz	DCHFAVOVLNIVJJ-UHFFFAOYSA-N	-1	0	398.491	1.709	50	10		GDCARM
O=C1[N-]C(=O)N(Cc2ccc(F)cc2)C(=O)C1=CNCc1ccc2c(c1)OCO2	ZINC000005763484	570275912	/nfs/dbraw/zinc/27/59/12/570275912.db2.gz	FQLPRKCGAGTERR-DHDCSXOGSA-N	-1	0	397.362	1.807	50	10		GDCARM
O=C([O-])CN1C(=O)C[C@@H](N2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)C1=O	ZINC000001804913	570426042	/nfs/dbraw/zinc/42/60/42/570426042.db2.gz	ALYMXOLJXZPQNH-KMFOOYFMSA-N	-1	0	394.405	1.239	50	10		GDCARM
O=C1[N-]C(=O)N(Cc2ccc(F)cc2)C(=O)C1=CNCc1ccc2c(c1)OCO2	ZINC000101077889	570793818	/nfs/dbraw/zinc/79/38/18/570793818.db2.gz	FQLPRKCGAGTERR-OQLLNIDSSA-N	-1	0	397.362	1.807	50	10		GDCARM
CN1C(=O)C(=Cc2ccc(-c3ccc(S(=O)(=O)[O-])cc3)o2)C(=O)N(C)C1=O	ZINC000004833758	206560325	/nfs/dbraw/zinc/56/03/25/206560325.db2.gz	SSBXOUQDHLDYEU-UHFFFAOYSA-N	-1	0	390.373	1.627	50	10		GDCARM
O=C1[N-]C(=O)N(CCc2ccccc2)C(=O)C1=CNCc1ccc2c(c1)OCO2	ZINC000005768849	206627704	/nfs/dbraw/zinc/62/77/04/206627704.db2.gz	FCEFSKURTWKMSA-VBKFSLOCSA-N	-1	0	393.399	1.710	50	10		GDCARM
O=C1[N-]C(=O)N(c2cccc3ccccc32)C(=O)C1=CNCCN1CCOCC1	ZINC000100792395	136195985	/nfs/dbraw/zinc/19/59/85/136195985.db2.gz	BJUYLVQNXQMDRQ-SAPNQHFASA-N	-1	0	394.431	1.228	50	10		GDCARM
COc1cccc(N2C(=O)[N-]C(=O)C(=CNCc3ccc4c(c3)OCO4)C2=O)c1	ZINC000101081427	136196246	/nfs/dbraw/zinc/19/62/46/136196246.db2.gz	QXIIWARBAQNJOV-XNTDXEJSSA-N	-1	0	395.371	1.680	50	10		GDCARM
NC(=O)COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1	ZINC000002991530	570324009	/nfs/dbraw/zinc/32/40/09/570324009.db2.gz	MTDSXAWDPFISDF-OQLLNIDSSA-N	-1	0	399.790	1.871	50	10		GDCARM
O=C([O-])CCN1C(=O)C[C@H](N2C(=O)/C(=C\c3ccccc3)SC2=S)C1=O	ZINC000033343997	570991572	/nfs/dbraw/zinc/99/15/72/570991572.db2.gz	XYTKSEPRESXXGI-SERMCNLOSA-N	-1	0	390.442	1.490	50	10		GDCARM
COc1cc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)cc(OC)c1OC(C)=O	ZINC000004537713	206527537	/nfs/dbraw/zinc/52/75/37/206527537.db2.gz	MJVCIHUULNCOMB-WUXMJOGZSA-N	-1	0	397.430	1.915	50	10		GDCARM
CCOC(=O)C1CCN(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)CC1	ZINC000018207087	207095665	/nfs/dbraw/zinc/09/56/65/207095665.db2.gz	RJMKAIKDWYOHPB-VBKFSLOCSA-N	-1	0	385.420	1.737	50	10		GDCARM
CCOC(=O)[C@@H]1CCCN(C(=O)CN(CC(=O)[O-])c2ccc(OC)cc2)C1	ZINC000034926558	207482610	/nfs/dbraw/zinc/48/26/10/207482610.db2.gz	AHSAUZJKVPQNAD-CQSZACIVSA-N	-1	0	378.425	1.388	50	10		GDCARM
COc1ccc(NC=C2C(=O)N([C@@H]3CCS(=O)(=O)C3)N=C2C)c(OC)c1	ZINC000101480754	208394093	/nfs/dbraw/zinc/39/40/93/208394093.db2.gz	AZSVRNUILZNWSV-ZMTLZGASSA-N	-1	0	379.438	1.405	50	10		GDCARM
O=C1NC(=O)c2cc(NC=C3C(=O)[N-]C(=O)N(c4ccccc4)C3=O)ccc21	ZINC000095471561	136179411	/nfs/dbraw/zinc/17/94/11/136179411.db2.gz	UQKDMQSJYMNQAX-ZROIWOOFSA-N	-1	0	376.328	1.149	50	10		GDCARM
COCCNc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)NC1=O	ZINC000103096151	644601675	/nfs/dbraw/zinc/60/16/75/644601675.db2.gz	ZWWGJWSLWQURQX-DHZHZOJOSA-N	-1	0	376.463	1.961	50	10		GDCARM
O=C(COc1ccc(C=C2C(=O)[N-]C(=O)NC2=O)cc1)Nc1ccc(F)cc1	ZINC000001190709	206365250	/nfs/dbraw/zinc/36/52/50/206365250.db2.gz	XJTKOTMAADISIV-UHFFFAOYSA-N	-1	0	383.335	1.593	50	10		GDCARM
COc1ccc([C@H](CC(=O)[O-])NC=C2C(=O)NC(=S)NC2=O)c2ccccc12	ZINC000020621907	207207889	/nfs/dbraw/zinc/20/78/89/207207889.db2.gz	DYKAVAKQSZCWDO-AWEZNQCLSA-N	-1	0	399.428	1.369	50	10		GDCARM
CCOC(=O)C1CCN(/C=C2/C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)CC1	ZINC000055507424	570696269	/nfs/dbraw/zinc/69/62/69/570696269.db2.gz	VHECAECILJMYRS-PTNGSMBKSA-N	-1	0	389.383	1.568	50	10		GDCARM
COc1ccccc1N1C(=O)C(=CNCCCn2ccnc2)C(=O)[N-]C1=S	ZINC000005988187	570812201	/nfs/dbraw/zinc/81/22/01/570812201.db2.gz	LNYQNHLEWACGCC-ACCUITESSA-N	-1	0	385.449	1.203	50	10		GDCARM
COc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(Cl)c1OCC(=O)[O-]	ZINC000003388155	206476548	/nfs/dbraw/zinc/47/65/48/206476548.db2.gz	LIZYWYRZVSABGC-UHFFFAOYSA-N	-1	0	398.824	1.411	50	10		GDCARM
O=C([O-])[C@@H]1CCCCN1C(=O)CN1C(=O)/C(=C/c2ccco2)SC1=S	ZINC000009348326	206783241	/nfs/dbraw/zinc/78/32/41/206783241.db2.gz	RSETXHGXLVXSOW-LCFDYFRESA-N	-1	0	380.447	1.947	50	10		GDCARM
O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	ZINC000015008754	136201873	/nfs/dbraw/zinc/20/18/73/136201873.db2.gz	ZRAAPPHPXACMFU-VBKFSLOCSA-N	-1	0	394.387	1.893	50	10		GDCARM
COc1cc(NC(=O)c2ccc3c(c2)C(=O)N(C)C3=O)c(C(=O)[O-])cc1OC	ZINC000004825545	570409147	/nfs/dbraw/zinc/40/91/47/570409147.db2.gz	ZJVGJSMEWBAQME-UHFFFAOYSA-N	-1	0	384.344	1.880	50	10		GDCARM
CC(=O)N1N=C(c2c([O-])[nH]c(=S)n(C)c2=O)C[C@H]1c1ccc(N(C)C)cc1	ZINC000101495147	570824906	/nfs/dbraw/zinc/82/49/06/570824906.db2.gz	WKIIMRJXSPDRKU-AWEZNQCLSA-N	-1	0	387.465	1.912	50	10		GDCARM
COc1cc(C=C2C(=O)[N-]C(=O)NC2=O)c(Br)cc1OC(C)=O	ZINC000000996113	206339816	/nfs/dbraw/zinc/33/98/16/206339816.db2.gz	GIHTZYZMVKLWKF-UHFFFAOYSA-N	-1	0	383.154	1.132	50	10		GDCARM
CCOC(=O)COc1c(Cl)cc(C=C2C(=O)[N-]C(=O)NC2=O)cc1Cl	ZINC000001202053	206366653	/nfs/dbraw/zinc/36/66/53/206366653.db2.gz	FBIBFAGGVFOZPS-UHFFFAOYSA-N	-1	0	387.175	1.685	50	10		GDCARM
O=C(COc1ccc(C=C2C(=O)[N-]C(=O)NC2=O)cc1)NCCc1ccccc1	ZINC000001213497	206368165	/nfs/dbraw/zinc/36/81/65/206368165.db2.gz	CQOHQOXISYFTBI-UHFFFAOYSA-N	-1	0	393.399	1.174	50	10		GDCARM
COc1ccc(/C=C2/SC(=S)N(CCS(=O)(=O)[O-])C2=O)c(OC)c1	ZINC000027017045	207322545	/nfs/dbraw/zinc/32/25/45/207322545.db2.gz	YWJNWABVBFTBPW-KPKJPENVSA-N	-1	0	389.476	1.793	50	10		GDCARM
C[C@]1(C(=O)[O-])[NH2+][C@H](c2ccccc2O)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21	ZINC000169705230	570543881	/nfs/dbraw/zinc/54/38/81/570543881.db2.gz	LXVLZXGVQUQIKJ-LHUKNYEISA-N	-1	0	380.400	1.681	50	10		GDCARM
COc1cc(N2CCOCC2)ccc1/C=C1/C(=O)[N-]C(=O)N(C2CCCC2)C1=O	ZINC000004678215	570823597	/nfs/dbraw/zinc/82/35/97/570823597.db2.gz	FKEKUDRACLXFSP-ATVHPVEESA-N	-1	0	399.447	1.936	50	10		GDCARM
CN1C(=O)C(=Cc2cc([N+](=O)[O-])cc(Br)c2[O-])C(=O)N(C)C1=O	ZINC000004953630	530537470	/nfs/dbraw/zinc/53/74/70/530537470.db2.gz	SRLYVVCNYJMXCS-UHFFFAOYSA-N	-1	0	384.142	1.497	50	10		GDCARM
CS(=O)(=O)Nc1cccc([N-]S(=O)(=O)c2cccc3nsnc32)c1	ZINC000019079928	207100660	/nfs/dbraw/zinc/10/06/60/207100660.db2.gz	PUIVALYMVXFYLN-UHFFFAOYSA-N	-1	0	384.464	1.864	50	10		GDCARM
COc1ccc(N2C(=O)[N-]C(=O)C(=CN[C@@H](CO)Cc3ccccc3)C2=O)cc1	ZINC000020623430	207209036	/nfs/dbraw/zinc/20/90/36/207209036.db2.gz	VEYZTIXVPJNVLK-PWDRBQJJSA-N	-1	0	395.415	1.355	50	10		GDCARM
COc1ccc(N(CC(=O)[O-])CC(=O)N2CCN(Cc3ccccc3)CC2)cc1	ZINC000034926550	570548150	/nfs/dbraw/zinc/54/81/50/570548150.db2.gz	NOKHRLJLBRIRSJ-UHFFFAOYSA-N	-1	0	397.475	1.931	50	10		GDCARM
O=C([O-])CN1C(=O)C[C@H](N2C(=O)/C(=C\c3cccs3)SC2=S)C1=O	ZINC000012580390	644234963	/nfs/dbraw/zinc/23/49/63/644234963.db2.gz	DWZMEJUPOTUPBH-DHFUWRPHSA-N	-1	0	382.444	1.161	50	10		GDCARM
CN1C(=O)C(=Cc2cc(Br)cc([N+](=O)[O-])c2[O-])C(=O)N(C)C1=O	ZINC000004474102	530535925	/nfs/dbraw/zinc/53/59/25/530535925.db2.gz	LCUOIRTVUVBVMW-UHFFFAOYSA-N	-1	0	384.142	1.497	50	10		GDCARM
NC(=O)COc1ccc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)cc1	ZINC000004673044	570819985	/nfs/dbraw/zinc/81/99/85/570819985.db2.gz	JMTUXLZUZQNPTM-DHDCSXOGSA-N	-1	0	399.403	1.521	50	10		GDCARM
COC(=O)CCC(=O)[N-]S(=O)(=O)c1ccc(/N=N/N2CCCCC2)cc1	ZINC000004592906	206533463	/nfs/dbraw/zinc/53/34/63/206533463.db2.gz	JKTIWMRFXMOIOP-HTXNQAPBSA-N	-1	0	382.442	1.929	50	10		GDCARM
COc1cccc(N2C(=O)C(=CNCCCn3ccnc3)C(=O)[N-]C2=S)c1	ZINC000020025152	207175125	/nfs/dbraw/zinc/17/51/25/207175125.db2.gz	GRVTXHLBQKVEOP-RVDMUPIBSA-N	-1	0	385.449	1.203	50	10		GDCARM
O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)C1=CN[C@@H](CO)Cc1ccccc1	ZINC000020623584	207208338	/nfs/dbraw/zinc/20/83/38/207208338.db2.gz	XQPWLPWLPWSCOZ-QJISPJEISA-N	-1	0	399.834	2.000	50	10		GDCARM
COc1ccc(/C=C2\SC(=S)N([C@H](CC(N)=O)C(=O)[O-])C2=O)cc1OC	ZINC000022204233	207249550	/nfs/dbraw/zinc/24/95/50/207249550.db2.gz	GXGWQBFVJNOJES-DKBJHAQFSA-N	-1	0	396.446	1.234	50	10		GDCARM
COc1cc(CC(=O)[O-])c(S(=O)(=O)Nc2ccc3c(c2)OCO3)cc1OC	ZINC000095929431	208240759	/nfs/dbraw/zinc/24/07/59/208240759.db2.gz	MAPYKOHFBBFENW-UHFFFAOYSA-N	-1	0	395.389	1.860	50	10		GDCARM
COc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)ccc1O[C@@H](C)C(=O)[O-]	ZINC000096593842	209016505	/nfs/dbraw/zinc/01/65/05/209016505.db2.gz	QIEXPUFQLNMVCC-VIFPVBQESA-N	-1	0	378.406	1.146	50	10		GDCARM
O=C1[N-]C(=O)N(c2ccc(I)cc2)C(=O)C1=CNC1CC1	ZINC000005763704	530539820	/nfs/dbraw/zinc/53/98/20/530539820.db2.gz	IHYHQLIXZOCSMB-YRNVUSSQSA-N	-1	0	397.172	1.510	50	10		GDCARM
CN1C(=O)C(=Cc2ccc(OCC(=O)[O-])c(Br)c2)C(=O)N(C)C1=O	ZINC000004704527	530536553	/nfs/dbraw/zinc/53/65/53/530536553.db2.gz	FZTJTACKUKWIHV-UHFFFAOYSA-N	-1	0	397.181	1.346	50	10		GDCARM
CCOC(=O)COc1ccc(Br)cc1C=C1C(=O)[N-]C(=O)NC1=O	ZINC000005200421	530538215	/nfs/dbraw/zinc/53/82/15/530538215.db2.gz	PSHGBBNQTSDPFY-UHFFFAOYSA-N	-1	0	397.181	1.140	50	10		GDCARM
CCNS(=O)(=O)c1ccc([N-]S(=O)(=O)c2cccc3nsnc32)cc1	ZINC000014225303	530560808	/nfs/dbraw/zinc/56/08/08/530560808.db2.gz	CDMLQJWAJZEURE-UHFFFAOYSA-N	-1	0	398.491	1.790	50	10		GDCARM
O=C1[N-]C(=O)N(Cc2ccco2)C(=O)C1=CNc1ccc(N2CCOCC2)cc1	ZINC000006257723	209641163	/nfs/dbraw/zinc/64/11/63/209641163.db2.gz	CGZHBROFNWFLEI-SFQUDFHCSA-N	-1	0	396.403	1.691	50	10		GDCARM
COC(=O)C1=C(C)NC(=O)N[C@H]1c1cc([N+](=O)[O-])cc(Br)c1[O-]	ZINC000004755214	209522804	/nfs/dbraw/zinc/52/28/04/209522804.db2.gz	XLHWGYXMPGPKGY-JTQLQIEISA-N	-1	0	386.158	1.864	50	10		GDCARM
COC(=O)c1ccc(-n2c(C)cc(C=C3C(=O)[N-]C(=O)NC3=O)c2C)c(C)c1	ZINC000001111877	209300814	/nfs/dbraw/zinc/30/08/14/209300814.db2.gz	DQCUDCLTGUSYMT-UHFFFAOYSA-N	-1	0	381.388	1.939	50	10		GDCARM
CCOC(=O)C1CCN(/C=C2/C(=O)[N-]C(=O)N(Cc3cccs3)C2=O)CC1	ZINC000022358276	570314386	/nfs/dbraw/zinc/31/43/86/570314386.db2.gz	HLVKPEMIGFUYLC-KAMYIIQDSA-N	-1	0	391.449	1.486	50	10		GDCARM
CN(C)C(=O)c1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1	ZINC000097944365	136188758	/nfs/dbraw/zinc/18/87/58/136188758.db2.gz	MYPVPFCSEAOJKU-VBKFSLOCSA-N	-1	0	378.388	1.967	50	10		GDCARM
O=C([O-])[C@H]1SCCN1S(=O)(=O)c1ccc(/N=N/N2CCOCC2)cc1	ZINC000008965107	530550290	/nfs/dbraw/zinc/55/02/90/530550290.db2.gz	LUFWANKMKMLTFJ-UWZWCOGJSA-N	-1	0	386.455	1.166	50	10		GDCARM
O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)C1=CN[C@H](CO)Cc1ccccc1	ZINC000020591904	210350464	/nfs/dbraw/zinc/35/04/64/210350464.db2.gz	PHEVKJAXBNDXKA-ZCQLHAAUSA-N	-1	0	383.379	1.486	50	10		GDCARM
NC(=O)COc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc1	ZINC000012363673	221184608	/nfs/dbraw/zinc/18/46/08/221184608.db2.gz	QMMFNABITJJWAP-UKTHLTGXSA-N	-1	0	399.403	1.521	50	10		GDCARM
O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)[nH]1	ZINC000012428434	570658174	/nfs/dbraw/zinc/65/81/74/570658174.db2.gz	QHVDUGBFCIPIPG-HNQUOIGGSA-N	-1	0	389.324	1.711	50	10		GDCARM
COc1cccc(N2C(=O)[N-]C(=O)C(=CNCc3ccc4c(c3)OCO4)C2=O)c1	ZINC000005704053	570835736	/nfs/dbraw/zinc/83/57/36/570835736.db2.gz	QXIIWARBAQNJOV-GDNBJRDFSA-N	-1	0	395.371	1.680	50	10		GDCARM
CS(=O)(=O)N1CCN(Cc2c([O-])ccc3c4c(c(=O)oc32)CCC4)CC1	ZINC000170625028	570880995	/nfs/dbraw/zinc/88/09/95/570880995.db2.gz	DTKZJHVWWKJPEN-UHFFFAOYSA-N	-1	0	378.450	1.065	50	10		GDCARM
COc1ccc(/C=C2\SC(=S)N([C@H](CC(N)=O)C(=O)[O-])C2=O)c(OC)c1	ZINC000016712286	210194288	/nfs/dbraw/zinc/19/42/88/210194288.db2.gz	BDXHCBHRPXPEOK-CGYDICSFSA-N	-1	0	396.446	1.234	50	10		GDCARM
O=C1[N-]C(=S)N(c2ccccc2F)C(=O)C1=CNCc1ccc2c(c1)OCO2	ZINC000023527923	210448219	/nfs/dbraw/zinc/44/82/19/210448219.db2.gz	SIATZIGRSWMFQY-FMIVXFBMSA-N	-1	0	399.403	1.976	50	10		GDCARM
Nc1[n-]n2c(nc3c(c2=O)CCCC3)c1N=Nc1ccc(S(N)(=O)=O)cc1	ZINC000103674919	570296246	/nfs/dbraw/zinc/29/62/46/570296246.db2.gz	DFPBRSGFKDZLKU-QZQOTICOSA-N	-1	0	387.425	1.546	50	10		GDCARM
NC(=O)Cn1cc(/C=C2/C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)c2ccccc21	ZINC000000876913	209274492	/nfs/dbraw/zinc/27/44/92/209274492.db2.gz	QEJOYKDXTCIRHC-NVNXTCNLSA-N	-1	0	392.371	1.382	50	10		GDCARM
C[C@@H](C(=O)Nc1ccc(O)c2c1C(=O)c1ccccc1C2=O)S(=O)(=O)[O-]	ZINC000004977162	570540655	/nfs/dbraw/zinc/54/06/55/570540655.db2.gz	HJRLREBRUOCKEU-QMMMGPOBSA-N	-1	0	375.358	1.382	50	10		GDCARM
COc1ccc(/C=C2\SC(=S)N(CCS(=O)(=O)[O-])C2=O)c(OC)c1	ZINC000004291523	530535347	/nfs/dbraw/zinc/53/53/47/530535347.db2.gz	YWJNWABVBFTBPW-GHXNOFRVSA-N	-1	0	389.476	1.793	50	10		GDCARM
O=C([O-])CN1C(=O)C[C@@H](N2C(=O)/C(=C/c3ccccc3)SC2=S)C1=O	ZINC000002695094	209378366	/nfs/dbraw/zinc/37/83/66/209378366.db2.gz	LHDUIWCJCIKYBU-CHPNCVJKSA-N	-1	0	376.415	1.100	50	10		GDCARM
NS(=O)(=O)c1ccc(N=Nc2c(=O)[n-]n3c2[nH]c2c(c3=O)CCCC2)cc1	ZINC000103674860	570296254	/nfs/dbraw/zinc/29/62/54/570296254.db2.gz	QAIGSHPWDVHVGF-FMQUCBEESA-N	-1	0	388.409	1.258	50	10		GDCARM
CCCN(CCC)S(=O)(=O)c1ccc(NC=C2C(=O)[N-]C(=O)NC2=O)cc1	ZINC000010121458	570565968	/nfs/dbraw/zinc/56/59/68/570565968.db2.gz	WGSLQQCOPCULOX-UHFFFAOYSA-N	-1	0	394.453	1.159	50	10		GDCARM
CC1=NN(c2cccc3ccccc32)C(=O)C1=Cc1c(=O)[nH]c(=O)n(C)c1[O-]	ZINC000136519295	570606396	/nfs/dbraw/zinc/60/63/96/570606396.db2.gz	SMDXTMZPPOTOJS-GXDHUFHOSA-N	-1	0	376.372	1.739	50	10		GDCARM
COc1c2c(cc(CCN(C)C(C)=O)c1C=C1C(=O)[N-]C(=O)NC1=O)OCO2	ZINC000009058949	209248096	/nfs/dbraw/zinc/24/80/96/209248096.db2.gz	ZIWHMSFEEOYKEU-UHFFFAOYSA-N	-1	0	389.364	1.034	50	10	biogenic	GDCARM
CN(C)C(=O)c1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1	ZINC000006878619	136195188	/nfs/dbraw/zinc/19/51/88/136195188.db2.gz	MYPVPFCSEAOJKU-FOWTUZBSSA-N	-1	0	378.388	1.967	50	10		GDCARM
CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)ccc1O[C@@H](C)C(=O)[O-]	ZINC000004725175	570398120	/nfs/dbraw/zinc/39/81/20/570398120.db2.gz	MODSKCSNMNTWOF-JTQLQIEISA-N	-1	0	392.433	1.536	50	10		GDCARM
O=C([O-])CCN1C(=O)C[C@@H](N2C(=O)/C(=C\c3ccccc3)SC2=S)C1=O	ZINC000001797064	570425464	/nfs/dbraw/zinc/42/54/64/570425464.db2.gz	XYTKSEPRESXXGI-OYGDSYQHSA-N	-1	0	390.442	1.490	50	10		GDCARM
COc1cc(C=C2C(=O)[N-]C(=O)NC2=O)cc(I)c1O	ZINC000006904333	530542902	/nfs/dbraw/zinc/54/29/02/530542902.db2.gz	DRPHFNDKFBEWAJ-UHFFFAOYSA-N	-1	0	388.117	1.595	50	10		GDCARM
O=C1[N-]C(=S)N(c2ccccc2Cl)C(=O)C1=CNCCCn1ccnc1	ZINC000020025853	210312809	/nfs/dbraw/zinc/31/28/09/210312809.db2.gz	GLQWTTPVCWBPHK-ZRDIBKRKSA-N	-1	0	389.868	1.848	50	10		GDCARM
COC(=O)c1ccccc1N=Cc1c(C)[n-]n([C@H]2CCS(=O)(=O)C2)c1=O	ZINC000013681716	570668213	/nfs/dbraw/zinc/66/82/13/570668213.db2.gz	CWNCNYKRMAKPFE-CJAAZZPWSA-N	-1	0	377.422	1.174	50	10		GDCARM
O=C([O-])c1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OCc1ccccc1	ZINC000004724335	570729218	/nfs/dbraw/zinc/72/92/18/570729218.db2.gz	YDJNQJUVVCVITC-UHFFFAOYSA-N	-1	0	382.397	1.878	50	10		GDCARM
CCOC(=O)C1CCN(/C=C2/C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)CC1	ZINC000013771940	210089555	/nfs/dbraw/zinc/08/95/55/210089555.db2.gz	JJZKDKYUXKPIGW-KAMYIIQDSA-N	-1	0	375.381	1.017	50	10		GDCARM
CN(CC(=O)NCc1cc([N+](=O)[O-])ccc1[O-])Cc1nc2ccccc2c(=O)[nH]1	ZINC000024170293	570467136	/nfs/dbraw/zinc/46/71/36/570467136.db2.gz	AHMHULJXSRNECE-UHFFFAOYSA-N	-1	0	397.391	1.285	50	10		GDCARM
COc1ccc(N(CC(=O)[O-])CC(=O)N2CCN(c3ccccc3)CC2)cc1	ZINC000034926538	570548278	/nfs/dbraw/zinc/54/82/78/570548278.db2.gz	LMSPFCKQRAEKAF-UHFFFAOYSA-N	-1	0	383.448	1.935	50	10		GDCARM
O=C1[N-]C(=S)N(c2ccccc2)C(=O)/C1=C\c1ccc(N2CCOCC2)o1	ZINC000004503533	570817158	/nfs/dbraw/zinc/81/71/58/570817158.db2.gz	VQTLQUAAEYFAIW-QINSGFPZSA-N	-1	0	383.429	1.948	50	10		GDCARM
COc1ccc(CNC=C2C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc1	ZINC000002892937	209395265	/nfs/dbraw/zinc/39/52/65/209395265.db2.gz	TVTIYUIYSAVGIC-ATVHPVEESA-N	-1	0	381.388	1.960	50	10		GDCARM
CC(=O)N1C(=O)/C(=C2\SC(=S)N([C@H](C)C(=O)[O-])C2=O)c2ccccc21	ZINC000001867478	209341359	/nfs/dbraw/zinc/34/13/59/209341359.db2.gz	ZDPSKPCXGLOTDE-ZCCYMHNXSA-N	-1	0	376.415	1.624	50	10		GDCARM
COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1O	ZINC000000886199	209276127	/nfs/dbraw/zinc/27/61/27/209276127.db2.gz	QWXATHMXKXZNGG-SDQBBNPISA-N	-1	0	382.328	1.796	50	10		GDCARM
O=C(NCc1cc([N+](=O)[O-])ccc1[O-])[C@H]1CCCN(C(=O)N2CCCC2)C1	ZINC000048248445	570223370	/nfs/dbraw/zinc/22/33/70/570223370.db2.gz	DOWOEDZNLIBVIN-ZDUSSCGKSA-N	-1	0	376.413	1.844	50	10		GDCARM
NC(=O)COc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2cccc(Cl)c2)C1=O	ZINC000004682249	570829069	/nfs/dbraw/zinc/82/90/69/570829069.db2.gz	UYCQDHLQAFSMLW-RIYZIHGNSA-N	-1	0	399.790	1.871	50	10		GDCARM
CC(=O)N1c2ccccc2/C(=C2/SC(=S)N(CCC(=O)[O-])C2=O)C1=O	ZINC000016661285	530565601	/nfs/dbraw/zinc/56/56/01/530565601.db2.gz	LTMPIYCQDDRSGD-SEYXRHQNSA-N	-1	0	376.415	1.626	50	10		GDCARM
Cc1nc2ccccc2c(=O)n1N/C=C1/C(=O)[N-]C(=O)N(c2ccccc2)C1=O	ZINC000004831996	136194184	/nfs/dbraw/zinc/19/41/84/136194184.db2.gz	RTXKPFAMDVXFTG-PTNGSMBKSA-N	-1	0	389.371	1.415	50	10		GDCARM
CCCCN1C(=O)[N-]C(=O)C(=CNc2c(C)n(C)n(-c3ccccc3)c2=O)C1=O	ZINC000100780965	570444988	/nfs/dbraw/zinc/44/49/88/570444988.db2.gz	BSNVSNAXFKVAOY-NTCAYCPXSA-N	-1	0	397.435	1.659	50	10		GDCARM
COc1ccc(N(CC(=O)[O-])CC(=O)NCc2ccc(OC)c(OC)c2)cc1	ZINC000034926464	570548210	/nfs/dbraw/zinc/54/82/10/570548210.db2.gz	LWSHYAZHBJJUDW-UHFFFAOYSA-N	-1	0	388.420	1.920	50	10		GDCARM
CCOC(=O)C1CCN(C(=O)CN(CC(=O)[O-])c2ccc(OC)cc2)CC1	ZINC000034926557	570548243	/nfs/dbraw/zinc/54/82/43/570548243.db2.gz	QESVNQYGNVMRSG-UHFFFAOYSA-N	-1	0	378.425	1.388	50	10		GDCARM
O=C([O-])[C@H]1CCCCN1C(=O)CN1C(=O)/C(=C/c2ccco2)SC1=S	ZINC000009348324	530551034	/nfs/dbraw/zinc/55/10/34/530551034.db2.gz	RSETXHGXLVXSOW-HQQGHWSLSA-N	-1	0	380.447	1.947	50	10		GDCARM
O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC=C1C(=O)NC(=S)N(C2CC2)C1=O	ZINC000002591036	209369696	/nfs/dbraw/zinc/36/96/96/209369696.db2.gz	OVVSRKVFZIPABV-GLNPCMGASA-N	-1	0	398.444	1.043	50	10		GDCARM
COc1ccc(N(CC(=O)[O-])CC(=O)N2CCN(c3ccccn3)CC2)cc1	ZINC000034926542	570548124	/nfs/dbraw/zinc/54/81/24/570548124.db2.gz	UURCWBMBJGFPIQ-UHFFFAOYSA-N	-1	0	384.436	1.330	50	10		GDCARM
COc1cc(C=C2C(=O)[N-]C(=O)NC2=O)ccc1OCCOc1ccccc1	ZINC000004182124	570983167	/nfs/dbraw/zinc/98/31/67/570983167.db2.gz	DCZIHHFPRRRVEO-UHFFFAOYSA-N	-1	0	382.372	1.902	50	10		GDCARM
COC(=O)c1ccc(C)c(-n2c(C)cc(C=C3C(=O)[N-]C(=O)NC3=O)c2C)c1	ZINC000001114854	209302796	/nfs/dbraw/zinc/30/27/96/209302796.db2.gz	OKESEPBHBCPSCN-UHFFFAOYSA-N	-1	0	381.388	1.939	50	10		GDCARM
O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)C1=CN[C@@H]1C=CS(=O)(=O)C1	ZINC000102690843	136196525	/nfs/dbraw/zinc/19/65/25/136196525.db2.gz	RPSWWIZJOIEFGG-VPMLRQHESA-N	-1	0	381.797	1.547	50	10		GDCARM
COCCN1C(=O)[N-]C(=O)/C(=C\c2cc3c(cc2Br)OCO3)C1=O	ZINC000005660773	530539434	/nfs/dbraw/zinc/53/94/34/530539434.db2.gz	OFACWTDBOWNCSA-RUDMXATFSA-N	-1	0	397.181	1.286	50	10		GDCARM
O=C(COc1ccc(C=C2C(=O)[N-]C(=O)NC2=O)cc1)NCc1ccccc1	ZINC000001213252	212229800	/nfs/dbraw/zinc/22/98/00/212229800.db2.gz	LNKQLMDEMRAIIU-UHFFFAOYSA-N	-1	0	379.372	1.131	50	10		GDCARM
O=C([O-])c1ccc(COc2ccccc2C=C2C(=O)NC(=S)NC2=O)cc1	ZINC000000680456	570216772	/nfs/dbraw/zinc/21/67/72/570216772.db2.gz	ZENKRDIIWCATMM-UHFFFAOYSA-N	-1	0	382.397	1.878	50	10		GDCARM
CN1C(=O)C(=Cc2cc(Br)c([O-])c([N+](=O)[O-])c2)C(=O)N(C)C1=O	ZINC000004491765	530535789	/nfs/dbraw/zinc/53/57/89/530535789.db2.gz	SUICYUFSECGKOS-UHFFFAOYSA-N	-1	0	384.142	1.497	50	10		GDCARM
CN1C(=O)C(=Cc2cc(Br)ccc2OCC(=O)[O-])C(=O)N(C)C1=O	ZINC000005102068	530538176	/nfs/dbraw/zinc/53/81/76/530538176.db2.gz	CDNDEHDTGHEXPP-UHFFFAOYSA-N	-1	0	397.181	1.346	50	10		GDCARM
COc1cccc(N2C(=O)[N-]C(=O)C(=CNc3cccc4nonc43)C2=O)c1	ZINC000017044371	221376393	/nfs/dbraw/zinc/37/63/93/221376393.db2.gz	WUOWNNCMMVELSP-FMIVXFBMSA-N	-1	0	379.332	1.810	50	10		GDCARM
O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)C1=CN[C@H]1C=CS(=O)(=O)C1	ZINC000102690840	136196313	/nfs/dbraw/zinc/19/63/13/136196313.db2.gz	RPSWWIZJOIEFGG-BZPKPHBRSA-N	-1	0	381.797	1.547	50	10		GDCARM
CCOC(=O)C1CCN(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3)C2=O)CC1	ZINC000096234488	535597205	/nfs/dbraw/zinc/59/72/05/535597205.db2.gz	FPOHECYVEJFPAD-NTCAYCPXSA-N	-1	0	387.461	1.593	50	10		GDCARM
O=C1[N-]C(=O)N(c2cccc(F)c2)C(=O)/C1=C\c1ccc(N2CCOCC2)o1	ZINC000004473879	570376653	/nfs/dbraw/zinc/37/66/53/570376653.db2.gz	LCMQUNGDEIUEDO-PTNGSMBKSA-N	-1	0	385.351	1.922	50	10		GDCARM
CCN1C(=O)[N-]C(=O)/C(=C/c2cn(CC(=O)N3CCCC3)c3ccccc23)C1=O	ZINC000005781471	570670498	/nfs/dbraw/zinc/67/04/98/570670498.db2.gz	LPDBIOGPMUQNLY-WJDWOHSUSA-N	-1	0	394.431	1.745	50	10		GDCARM
COc1cccc(C(=O)Oc2ccc(C=C3C(=O)[N-]C(=O)NC3=O)cc2OC)c1	ZINC000001118516	570754371	/nfs/dbraw/zinc/75/43/71/570754371.db2.gz	PZHPMESGVLMZEI-UHFFFAOYSA-N	-1	0	396.355	1.672	50	10		GDCARM
CCOC(=O)c1ccccc1N=Cc1c(C)[n-]n([C@@H]2CCS(=O)(=O)C2)c1=O	ZINC000102735711	570859869	/nfs/dbraw/zinc/85/98/69/570859869.db2.gz	KKRKZDNMRZXSOF-NWFCWYBLSA-N	-1	0	391.449	1.564	50	10		GDCARM
COc1cc(C=C2C(=O)N(c3nnn[n-]3)N=C2C)cc(Br)c1O	ZINC000004738899	530536456	/nfs/dbraw/zinc/53/64/56/530536456.db2.gz	LHANAUQMENPQGD-FPYGCLRLSA-N	-1	0	379.174	1.483	50	10		GDCARM
COC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)[N-]C(=O)N(C)C3=O)c2C)cc1	ZINC000001178079	212226158	/nfs/dbraw/zinc/22/61/58/212226158.db2.gz	DWCZQBRKWMVRFX-MHWRWJLKSA-N	-1	0	381.388	1.972	50	10		GDCARM
CCOC(=O)C1CCN(/C=C2/C(=O)[N-]C(=O)N(C3CCCCC3)C2=O)CC1	ZINC000022310895	570312748	/nfs/dbraw/zinc/31/27/48/570312748.db2.gz	VKYYEKNPCNDQNH-QINSGFPZSA-N	-1	0	377.441	1.557	50	10		GDCARM
CCN1C(=O)C(=Cc2ccc(OCC(=O)[O-])c(OC)c2)C(=O)N(CC)C1=S	ZINC000004724065	570397753	/nfs/dbraw/zinc/39/77/53/570397753.db2.gz	FARMANIUJUKNBU-UHFFFAOYSA-N	-1	0	392.433	1.538	50	10		GDCARM
CCN(CC)C(=O)Cn1cc(/C=C2\C(=O)[N-]C(=O)N(CC)C2=O)c2ccccc21	ZINC000005867595	570798835	/nfs/dbraw/zinc/79/88/35/570798835.db2.gz	AOMDFLOLAZVJAL-LFIBNONCSA-N	-1	0	396.447	1.991	50	10		GDCARM
Cc1c2c(cc(=O)n1C[C@H]1CCCO1)[n-]n(-c1nc3ccccc3s1)c2=O	ZINC000669458778	570958372	/nfs/dbraw/zinc/95/83/72/570958372.db2.gz	YYHOGWSAZZDCNT-GFCCVEGCSA-O	-1	0	383.453	1.643	50	10		GDCARM
NC(=O)Cn1cc(/C=C2/C(=O)[N-]C(=O)N(C3CCCCC3)C2=O)c2ccccc21	ZINC000000876919	212190937	/nfs/dbraw/zinc/19/09/37/212190937.db2.gz	XMRVBJJYZHIGFG-YBEGLDIGSA-N	-1	0	394.431	1.921	50	10		GDCARM
COc1ccccc1NC(=O)COc1ccc(C=C2C(=O)[N-]C(=O)NC2=O)cc1	ZINC000009331471	221078213	/nfs/dbraw/zinc/07/82/13/221078213.db2.gz	XXOYRCMPRCPPGQ-UHFFFAOYSA-N	-1	0	395.371	1.462	50	10		GDCARM
COc1ccc([C@@H](CC(=O)[O-])NC=C2C(=O)NC(=S)NC2=O)c2ccccc12	ZINC000020621904	570272944	/nfs/dbraw/zinc/27/29/44/570272944.db2.gz	DYKAVAKQSZCWDO-CQSZACIVSA-N	-1	0	399.428	1.369	50	10		GDCARM
Cc1nnc2sc(-c3ccc(C)c(NC=C4C(=O)[N-]C(=O)NC4=O)c3)nn12	ZINC000096298667	570228520	/nfs/dbraw/zinc/22/85/20/570228520.db2.gz	PPYKBLJUWVRHCC-UHFFFAOYSA-N	-1	0	383.393	1.131	50	10		GDCARM
Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1ccc(S(=O)(=O)NC(=N)N)cc1	ZINC000100949320	570782807	/nfs/dbraw/zinc/78/28/07/570782807.db2.gz	GAIRZAYKUNFYEQ-WJDWOHSUSA-N	-1	0	398.448	1.577	50	10		GDCARM
O=C1[N-]C(=S)N(c2ccccc2)C(=O)/C1=C/c1ccc(N2CCOCC2)o1	ZINC000005947293	570807792	/nfs/dbraw/zinc/80/77/92/570807792.db2.gz	VQTLQUAAEYFAIW-NTCAYCPXSA-N	-1	0	383.429	1.948	50	10		GDCARM
CC(=O)N1N=C(c2c([O-])[nH]c(=S)n(C)c2=O)C[C@@H]1c1ccc(N(C)C)cc1	ZINC000101495149	570825116	/nfs/dbraw/zinc/82/51/16/570825116.db2.gz	WKIIMRJXSPDRKU-CQSZACIVSA-N	-1	0	387.465	1.912	50	10		GDCARM
O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)C1=CN[C@@H](CO)Cc1ccccc1	ZINC000020591902	221502267	/nfs/dbraw/zinc/50/22/67/221502267.db2.gz	PHEVKJAXBNDXKA-QJISPJEISA-N	-1	0	383.379	1.486	50	10		GDCARM
O=C([O-])CN1C(=O)C[C@H](N2C(=O)/C(=C/c3ccccc3)SC2=S)C1=O	ZINC000020566622	221499599	/nfs/dbraw/zinc/49/95/99/221499599.db2.gz	LHDUIWCJCIKYBU-OYUORYAFSA-N	-1	0	376.415	1.100	50	10		GDCARM
O=C1[N-]C(=O)N(Cc2ccco2)C(=O)/C1=C/c1ccc(N2CCOCC2)cc1	ZINC000001155134	136195945	/nfs/dbraw/zinc/19/59/45/136195945.db2.gz	SQAAXJCOHBYPNU-SFQUDFHCSA-N	-1	0	381.388	1.778	50	10		GDCARM
O=C1[N-]C(=O)N(CCc2ccc(F)cc2)C(=O)C1=CNCCCn1ccnc1	ZINC000019997384	570234373	/nfs/dbraw/zinc/23/43/73/570234373.db2.gz	QZGOOBPAQTZIFF-FOWTUZBSSA-N	-1	0	385.399	1.207	50	10		GDCARM
CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)ccc1O[C@H](C)C(=O)[O-]	ZINC000004725177	570398270	/nfs/dbraw/zinc/39/82/70/570398270.db2.gz	MODSKCSNMNTWOF-SNVBAGLBSA-N	-1	0	392.433	1.536	50	10		GDCARM
COc1ccc(CCNC=C2C(=O)[N-]C(=O)N(Cc3ccccc3)C2=O)cc1	ZINC000006646499	570515029	/nfs/dbraw/zinc/51/50/29/570515029.db2.gz	IUZTUKWRBCOIDO-QGOAFFKASA-N	-1	0	379.416	1.990	50	10		GDCARM
CCOC(=O)c1ccccc1N=Cc1c(C)[n-]n([C@H]2CCS(=O)(=O)C2)c1=O	ZINC000102735715	570859993	/nfs/dbraw/zinc/85/99/93/570859993.db2.gz	KKRKZDNMRZXSOF-OJNRTJSBSA-N	-1	0	391.449	1.564	50	10		GDCARM
COc1cccc([C@@H]2[NH2+][C@](CC(C)C)(C(=O)[O-])[C@@H]3C(=O)N(C)C(=O)[C@@H]23)c1O	ZINC000217624383	212113268	/nfs/dbraw/zinc/11/32/68/212113268.db2.gz	VCAGUDYPSNEJRA-BZIRYSOJSA-N	-1	0	376.409	1.146	50	10		GDCARM
Cc1[n-]n(-c2ccc(I)cc2)c(=O)c1C=Nn1cnnc1	ZINC000015931875	221352752	/nfs/dbraw/zinc/35/27/52/221352752.db2.gz	WZWGWBVNTPSFIA-SDQBBNPISA-N	-1	0	394.176	1.733	50	10		GDCARM
Cc1cc(C)c(N2C(=O)[N-]C(=O)C(=CNCCCn3ccnc3)C2=O)c(C)c1	ZINC000019996713	570234659	/nfs/dbraw/zinc/23/46/59/570234659.db2.gz	NCMCHYVRMYKKBE-WJDWOHSUSA-N	-1	0	381.436	1.955	50	10		GDCARM
NC(=O)COc1ccc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccccc3)C2=O)cc1	ZINC000001220376	212231484	/nfs/dbraw/zinc/23/14/84/212231484.db2.gz	QSLHGCODYXPNEZ-MHWRWJLKSA-N	-1	0	379.372	1.213	50	10		GDCARM
Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCC(N)=O)cc2)C1=O	ZINC000005884846	220905232	/nfs/dbraw/zinc/90/52/32/220905232.db2.gz	FCTJJSSIJQPQAF-XNTDXEJSSA-N	-1	0	379.372	1.526	50	10		GDCARM
COc1ccc(/C=C2\SC(=S)N(CCS(=O)(=O)[O-])C2=O)cc1O	ZINC000016790819	221370997	/nfs/dbraw/zinc/37/09/97/221370997.db2.gz	HDHDOVNHRVTYLG-XFFZJAGNSA-N	-1	0	375.449	1.490	50	10		GDCARM
O=C1[N-]C(=S)N(c2ccccc2Cl)C(=O)C1=CNCCCn1ccnc1	ZINC000100799723	136196086	/nfs/dbraw/zinc/19/60/86/136196086.db2.gz	GLQWTTPVCWBPHK-BENRWUELSA-N	-1	0	389.868	1.848	50	10		GDCARM
CCN1C(=O)C(=Cc2cc([N+](=O)[O-])cc(OC)c2[O-])C(=O)N(CC)C1=S	ZINC000005576598	570447477	/nfs/dbraw/zinc/44/74/77/570447477.db2.gz	PTFWAAVEQWXDFG-UHFFFAOYSA-N	-1	0	379.394	1.688	50	10		GDCARM
CCOC(=O)[C@H]1CCCN(C(=O)CN(CC(=O)[O-])c2ccc(OC)cc2)C1	ZINC000034926559	570548271	/nfs/dbraw/zinc/54/82/71/570548271.db2.gz	AHSAUZJKVPQNAD-AWEZNQCLSA-N	-1	0	378.425	1.388	50	10		GDCARM
COc1ccccc1NC(=O)COc1cccc(C=C2C(=O)[N-]C(=O)NC2=O)c1	ZINC000005000378	570214089	/nfs/dbraw/zinc/21/40/89/570214089.db2.gz	QTACXKBKGTXQIF-UHFFFAOYSA-N	-1	0	395.371	1.462	50	10		GDCARM
CCOc1ccc(N2C(=O)[N-]C(=O)C(=CNCCCn3ccnc3)C2=O)cc1	ZINC000020025594	570235458	/nfs/dbraw/zinc/23/54/58/570235458.db2.gz	YSMIEXMGMONZSL-FOWTUZBSSA-N	-1	0	383.408	1.428	50	10		GDCARM
CCOc1ccccc1N1C(=O)[N-]C(=O)C(=CNCCCn2ccnc2)C1=O	ZINC000020024403	570235572	/nfs/dbraw/zinc/23/55/72/570235572.db2.gz	TVFBVFUCFSNHOF-WYMLVPIESA-N	-1	0	383.408	1.428	50	10		GDCARM
COc1ccc([N-]S(=O)(=O)c2cccc3nsnc32)cc1-n1cnnn1	ZINC000061719315	570502162	/nfs/dbraw/zinc/50/21/62/570502162.db2.gz	ZIWLIOMCTVYMPN-UHFFFAOYSA-N	-1	0	389.422	1.476	50	10		GDCARM
CN(CCCC(=O)[O-])S(=O)(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O	ZINC000010435045	212257860	/nfs/dbraw/zinc/25/78/60/212257860.db2.gz	UGEDAPPYIYFSHC-UHFFFAOYSA-N	-1	0	387.413	1.947	50	10		GDCARM
Cc1cc(C)c(N2C(=O)[N-]C(=O)C(=CNCCN3CCOCC3)C2=O)c(C)c1	ZINC000020024095	570235191	/nfs/dbraw/zinc/23/51/91/570235191.db2.gz	RLWOTKQCJBJNQN-VBKFSLOCSA-N	-1	0	386.452	1.000	50	10		GDCARM
O=C1[N-]C(=O)N(CCc2ccccc2)C(=O)C1=CNCc1ccc2c(c1)OCO2	ZINC000101076111	534785514	/nfs/dbraw/zinc/78/55/14/534785514.db2.gz	FCEFSKURTWKMSA-FOWTUZBSSA-N	-1	0	393.399	1.710	50	10		GDCARM
O=C1[N-]N(c2ccccc2)C(=O)/C1=C/c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	ZINC000004620846	570388432	/nfs/dbraw/zinc/38/84/32/570388432.db2.gz	ZRAAPPHPXACMFU-FOWTUZBSSA-N	-1	0	394.387	1.893	50	10		GDCARM
COC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc([N+](=O)[O-])cc(Br)c1[O-]	ZINC000004755215	530536822	/nfs/dbraw/zinc/53/68/22/530536822.db2.gz	XLHWGYXMPGPKGY-SNVBAGLBSA-N	-1	0	386.158	1.864	50	10		GDCARM
O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)C1=CN[C@H](CO)Cc1ccccc1	ZINC000020623587	570273195	/nfs/dbraw/zinc/27/31/95/570273195.db2.gz	XQPWLPWLPWSCOZ-ZCQLHAAUSA-N	-1	0	399.834	2.000	50	10		GDCARM
Cc1ccc(S(=O)(=O)Oc2ccccc2C=C2C(=O)[N-]C(=O)NC2=O)cc1	ZINC000002946951	570319431	/nfs/dbraw/zinc/31/94/31/570319431.db2.gz	NWPHSLFBUCMZSR-UHFFFAOYSA-N	-1	0	386.385	1.512	50	10		GDCARM
O=C([O-])CN1C(=O)C[C@@H](N2C(=O)/C(=C/c3cccs3)SC2=S)C1=O	ZINC000101113418	231010177	/nfs/dbraw/zinc/01/01/77/231010177.db2.gz	DWZMEJUPOTUPBH-HMXLAXJASA-N	-1	0	382.444	1.161	50	10		GDCARM
COc1cc(/C=C2/C(=O)[N-]N(c3ccc(C)cc3)C2=O)ccc1OCC(=O)[O-]	ZINC000015188223	221334425	/nfs/dbraw/zinc/33/44/25/221334425.db2.gz	CUCHTLZKBBKBBC-DHDCSXOGSA-N	-1	0	382.372	1.928	50	10		GDCARM
Cc1cc(C)c(N2C(=O)[N-]C(=O)C(=CNCCN3CCOCC3)C2=O)c(C)c1	ZINC000100790126	136195996	/nfs/dbraw/zinc/19/59/96/136195996.db2.gz	RLWOTKQCJBJNQN-FOWTUZBSSA-N	-1	0	386.452	1.000	50	10		GDCARM
O=C([O-])[C@H]1CCCN1S(=O)(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O	ZINC000041091543	221938713	/nfs/dbraw/zinc/93/87/13/221938713.db2.gz	IXEAABSEFZMXJO-MRXNPFEDSA-N	-1	0	385.397	1.700	50	10		GDCARM
O=C(NCc1cc([N+](=O)[O-])ccc1[O-])[C@@H]1CCCN(C(=O)N2CCCC2)C1	ZINC000048248441	570222810	/nfs/dbraw/zinc/22/28/10/570222810.db2.gz	DOWOEDZNLIBVIN-CYBMUJFWSA-N	-1	0	376.413	1.844	50	10		GDCARM
Cc1ccc(-c2noc(CCCCCNC=C3C(=O)[N-]C(=O)NC3=O)n2)cc1	ZINC000025561745	570415922	/nfs/dbraw/zinc/41/59/22/570415922.db2.gz	CGPLCOQHAOVGBF-UHFFFAOYSA-N	-1	0	383.408	1.597	50	10		GDCARM
COC(=O)c1ccccc1N=Cc1c(C)[n-]n([C@@H]2CCS(=O)(=O)C2)c1=O	ZINC000013681713	570667993	/nfs/dbraw/zinc/66/79/93/570667993.db2.gz	CWNCNYKRMAKPFE-OJLMPMFISA-N	-1	0	377.422	1.174	50	10		GDCARM
O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)C1=CNN1CCOCC1	ZINC000019996200	530569446	/nfs/dbraw/zinc/56/94/46/530569446.db2.gz	BUYYOVNZGBGXLA-XFXZXTDPSA-N	-1	0	395.213	1.593	50	10		GDCARM
COc1cc(/C=C2\SC(=S)N(CC(=O)[O-])C2=O)cc(OC)c1OC(C)=O	ZINC000012580340	221209502	/nfs/dbraw/zinc/20/95/02/221209502.db2.gz	MJVCIHUULNCOMB-SDQBBNPISA-N	-1	0	397.430	1.915	50	10		GDCARM
COc1cc(/C=C2\SC(=S)N(CCS(=O)(=O)[O-])C2=O)ccc1O	ZINC000015684767	221341456	/nfs/dbraw/zinc/34/14/56/221341456.db2.gz	SEDNIMBONGWZIC-XFFZJAGNSA-N	-1	0	375.449	1.490	50	10		GDCARM
COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC=C1C(=O)[N-]C(=O)N(C(C)C)C1=O	ZINC000020567645	570268165	/nfs/dbraw/zinc/26/81/65/570268165.db2.gz	PRAZBJWILYNFBH-DKGMDFAASA-N	-1	0	398.419	1.212	50	10		GDCARM
Cc1ccc(S(=O)(=O)Oc2cccc(C=C3C(=O)[N-]C(=O)NC3=O)c2)cc1	ZINC000002948872	570319543	/nfs/dbraw/zinc/31/95/43/570319543.db2.gz	JJMWTCHMKGEAFO-UHFFFAOYSA-N	-1	0	386.385	1.512	50	10		GDCARM
CCN1C(=O)[N-]C(=O)C(=CNc2sc3c(c2C(=O)OC)CCCC3)C1=O	ZINC000098086272	570991679	/nfs/dbraw/zinc/99/16/79/570991679.db2.gz	BCBSISUHASVBJP-CSKARUKUSA-N	-1	0	377.422	1.808	50	10		GDCARM
CCOc1ccc(C=C2C(=O)[N-]C(=O)NC2=O)cc1I	ZINC000004672604	530536533	/nfs/dbraw/zinc/53/65/33/530536533.db2.gz	OTRJQKKUMPFLIK-UHFFFAOYSA-N	-1	0	386.145	1.439	50	10		GDCARM
O=C1[N-]C(=O)C(=CNCCSc2ncc(C(F)(F)F)cc2Cl)C(=O)N1	ZINC000025561757	530581964	/nfs/dbraw/zinc/58/19/64/530581964.db2.gz	IVTZXEUZCNNNJA-UHFFFAOYSA-N	-1	0	394.762	1.685	50	10		GDCARM
O=C(Cn1cc(/C=C2\SC(=S)NC2=O)c2ccccc21)N1CCOCC1	ZINC000016116105	221357839	/nfs/dbraw/zinc/35/78/39/221357839.db2.gz	UIBLRHVULYMOLB-DHDCSXOGSA-N	-1	0	387.486	1.989	50	10		GDCARM
COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(O)c(OC)c3)C2=O)cc1	ZINC000002998465	536729029	/nfs/dbraw/zinc/72/90/29/536729029.db2.gz	ROJRVDCFDPDULK-NTEUORMPSA-N	-1	0	396.355	1.854	50	10		GDCARM
O=C1[N-]N(c2ccccc2)C(=O)/C1=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1	ZINC000004062957	570927581	/nfs/dbraw/zinc/92/75/81/570927581.db2.gz	RAIARNKDKKMTPN-GHRIWEEISA-N	-1	0	394.387	1.893	50	10		GDCARM
O=C1[N-]C(=O)C(=CNc2nnc(-c3ccccc3)c(-c3ccccc3)n2)C(=O)N1	ZINC000008518833	221043840	/nfs/dbraw/zinc/04/38/40/221043840.db2.gz	XKROJPSNNPLLPN-UHFFFAOYSA-N	-1	0	386.371	1.867	50	10		GDCARM
O=C1[N-]C(=S)N(c2ccc(F)cc2)C(=O)C1=CNCc1ccc2c(c1)OCO2	ZINC000101084254	136196230	/nfs/dbraw/zinc/19/62/30/136196230.db2.gz	LTHCAEARZLQSMK-NTEUORMPSA-N	-1	0	399.403	1.976	50	10		GDCARM
CCOc1ccc(N2C(=O)C(=CNN3CCOCC3)C(=O)[N-]C2=S)cc1	ZINC000020025710	570235533	/nfs/dbraw/zinc/23/55/33/570235533.db2.gz	HEAKQJHYBHDIHM-KAMYIIQDSA-N	-1	0	376.438	1.394	50	10		GDCARM
COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC=C1C(=O)[N-]C(=O)N(C(C)C)C1=O	ZINC000020567644	570268286	/nfs/dbraw/zinc/26/82/86/570268286.db2.gz	PRAZBJWILYNFBH-HFQYIWAZSA-N	-1	0	398.419	1.212	50	10		GDCARM
O=C([O-])c1cccc(COc2ccc(C=C3C(=O)NC(=S)NC3=O)cc2)c1	ZINC000004723722	570397773	/nfs/dbraw/zinc/39/77/73/570397773.db2.gz	IFSWCPOKWFOQQZ-UHFFFAOYSA-N	-1	0	382.397	1.878	50	10		GDCARM
CCN(CC)c1ccc([C@@H]2CC(c3c(=O)[nH]c(=O)n(C)c3[O-])=NN2C(C)=O)cc1	ZINC000101765936	570830685	/nfs/dbraw/zinc/83/06/85/570830685.db2.gz	SXYRWAKEEPSMBD-INIZCTEOSA-N	-1	0	399.451	1.323	50	10		GDCARM