smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)cc1C(=O)[O-]	ZINC000001156098	219382190	/nfs/dbraw/zinc/38/21/90/219382190.db2.gz	CBTNVZLUXBMTAM-UHFFFAOYSA-N	-1	0	351.336	1.923	50	10		FDCARM
O=C1[N-]C(=S)N(c2cccc(Br)c2)C(=O)C1=CNC1CC1	ZINC000005626219	518350482	/nfs/dbraw/zinc/35/04/82/518350482.db2.gz	IRXIKFBGOPOHIU-YRNVUSSQSA-N	-1	0	366.240	1.833	50	10		FDCARM
O=S(=O)([N-]c1ccc(-n2cnnn2)cc1)c1cccc2nsnc21	ZINC000019079381	518802622	/nfs/dbraw/zinc/80/26/22/518802622.db2.gz	SUQMZKBPMDYKLA-UHFFFAOYSA-N	-1	0	359.396	1.468	50	10		FDCARM
CN1C(=O)C(=CNCC2(CC(=O)[O-])CCCCC2)C(=O)N(C)C1=S	ZINC000020621829	518855044	/nfs/dbraw/zinc/85/50/44/518855044.db2.gz	QRRWLRCNPSRHDA-UHFFFAOYSA-N	-1	0	353.444	1.100	50	10		FDCARM
CNC(=O)CN1c2ccccc2C(=O)N(C)[C@H]1c1cc([N+](=O)[O-])ccc1[O-]	ZINC000045822076	570912622	/nfs/dbraw/zinc/91/26/22/570912622.db2.gz	GGQZGPRRZIEVFT-QGZVFWFLSA-N	-1	0	370.365	1.637	50	10		FDCARM
COC(=O)c1ccc(N2[N-]C(=O)/C(=C\c3ccc(OC)cc3)C2=O)cc1	ZINC000000969449	203968092	/nfs/dbraw/zinc/96/80/92/203968092.db2.gz	BZTANUMKGAIOKE-LFIBNONCSA-N	-1	0	352.346	1.943	50	10		FDCARM
C[C@@H](C(=O)[O-])n1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c2ccccc21	ZINC000004739857	204160787	/nfs/dbraw/zinc/16/07/87/204160787.db2.gz	FOJGURACPYIOLT-JTQLQIEISA-N	-1	0	355.350	1.721	50	10		FDCARM
CN1C(=O)C(=Cc2ccc(-c3ccc(O)c(C(=O)[O-])c3)o2)C(=O)N(C)C1=O	ZINC000004492117	204141352	/nfs/dbraw/zinc/14/13/52/204141352.db2.gz	GKHRMISPRANJSD-UHFFFAOYSA-N	-1	0	370.317	1.784	50	10		FDCARM
CN(C)c1ccc(/C=C2\SC(=S)N(CCS(=O)(=O)[O-])C2=O)cc1	ZINC000004193734	206170128	/nfs/dbraw/zinc/17/01/28/206170128.db2.gz	PPSHMWDPIMNWNS-XFXZXTDPSA-N	-1	0	372.493	1.842	50	10		FDCARM
Cc1cc(C=C2C(=O)[N-]C(=O)NC2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1	ZINC000013553052	518660078	/nfs/dbraw/zinc/66/00/78/518660078.db2.gz	NJIOXOAKWGDBTP-UHFFFAOYSA-N	-1	0	354.322	1.752	50	10		FDCARM
CCN(CC)c1ccc([C@@H]2CC(c3c(=O)[nH]c(=O)n(C)c3[O-])=NN2)cc1	ZINC000101763608	525252135	/nfs/dbraw/zinc/25/21/35/525252135.db2.gz	JCSIQULGDGQIDD-ZDUSSCGKSA-N	-1	0	357.414	1.064	50	10		FDCARM
O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(O)=C1SC(=S)[N-]C1=O	ZINC000105821553	525540617	/nfs/dbraw/zinc/54/06/17/525540617.db2.gz	WNOYCQAGTKSGQA-MRVPVSSYSA-N	-1	0	359.772	1.272	50	10		FDCARM
O=C1[N-]C(=O)N(CCc2ccccc2)C(=O)C1=CNCCCn1ccnc1	ZINC000019995167	527047768	/nfs/dbraw/zinc/04/77/68/527047768.db2.gz	BFCAMROSZTZFJF-SSZFMOIBSA-N	-1	0	367.409	1.068	50	10		FDCARM
O=C([O-])c1cccc(NC=C2C(=O)[N-]C(=O)N(c3ccccc3)C2=O)c1	ZINC000102742675	784786062	/nfs/dbraw/zinc/78/60/62/784786062.db2.gz	LFSCZVBXLWBZED-UVTDQMKNSA-N	-1	0	351.318	1.964	50	10		FDCARM
Nc1[n-]n2c(nc3c(c2=O)CCC3)c1N=Nc1ccc(S(N)(=O)=O)cc1	ZINC000334159059	801369813	/nfs/dbraw/zinc/36/98/13/801369813.db2.gz	TURBHLFHANHBSP-UHFFFAOYSA-N	-1	0	373.398	1.156	50	10		FDCARM
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cnc(N(C)C)nc3)C2=O)cc1	ZINC000001127853	1015426876	/nfs/dbraw/zinc/42/68/76/1015426876.db2.gz	ABOOJDTWLILQEL-ZSOIEALJSA-N	-1	0	367.365	1.218	50	10		FDCARM
O=C1[N-]C(=O)N(Cc2ccco2)C(=O)/C1=C/c1ccc2c(c1)OCCO2	ZINC000004703272	204157105	/nfs/dbraw/zinc/15/71/05/204157105.db2.gz	KXDKLRCRNYSQAX-MDWZMJQESA-N	-1	0	354.318	1.713	50	10		FDCARM
CC[C@H](NS(=O)(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O)C(=O)[O-]	ZINC000010435049	204396100	/nfs/dbraw/zinc/39/61/00/204396100.db2.gz	IPETWCDAVZXYBU-HNNXBMFYSA-N	-1	0	373.386	1.604	50	10		FDCARM
O=C([O-])[C@@H]1[NH2+][C@H](c2ccccc2O)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]12	ZINC000102778858	206229515	/nfs/dbraw/zinc/22/95/15/206229515.db2.gz	XSBFBEVMMWSNMH-KLHDSHLOSA-N	-1	0	352.346	1.296	50	10		FDCARM
NS(=O)(=O)c1cccc([N-]S(=O)(=O)c2cccc3nsnc32)c1	ZINC000019079146	206324459	/nfs/dbraw/zinc/32/44/59/206324459.db2.gz	ZISGAWHZGWAXIF-UHFFFAOYSA-N	-1	0	370.437	1.140	50	10		FDCARM
Cc1[n-]n([C@@H]2CCS(=O)(=O)C2)c(=O)c1C=Nc1ccc(F)cc1F	ZINC000101360142	525219279	/nfs/dbraw/zinc/21/92/79/525219279.db2.gz	ATGUGYBYPNUAPW-LAPSENCUSA-N	-1	0	355.366	1.666	50	10		FDCARM
COc1ccc(OC)c(CN2C(=O)[N-]C(=O)/C(=C\c3ccco3)C2=O)c1	ZINC000006181660	807841979	/nfs/dbraw/zinc/84/19/79/807841979.db2.gz	LPIIZPMMQHKFPD-NTEUORMPSA-N	-1	0	356.334	1.959	50	10		FDCARM
COc1ccc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)c(OC)c1OC	ZINC000001196309	518229790	/nfs/dbraw/zinc/22/97/90/518229790.db2.gz	UEVAZVJXPNJEJR-UXBLZVDNSA-N	-1	0	369.420	1.998	50	10		FDCARM
COCCN1C(=O)/C(=C/c2ccc(OCC(=O)[O-])cc2)SC1=S	ZINC000002987747	518256081	/nfs/dbraw/zinc/25/60/81/518256081.db2.gz	OIIBHWXWZZTBID-WQLSENKSSA-N	-1	0	353.421	1.998	50	10		FDCARM
Cc1ccc(N2C(=O)[N-]C(=O)C(=CNCc3cccnc3)C2=O)cc1C	ZINC000005739995	518354146	/nfs/dbraw/zinc/35/41/46/518354146.db2.gz	XURFKXCUPPPQLN-LFIBNONCSA-N	-1	0	350.378	1.955	50	10		FDCARM
COc1ccccc1N1C(=O)C(=CNN2CCCCC2)C(=O)[N-]C1=S	ZINC000009186782	518499278	/nfs/dbraw/zinc/49/92/78/518499278.db2.gz	BCOCAYKFUYQENA-QXMHVHEDSA-N	-1	0	360.439	1.729	50	10		FDCARM
NS(=O)(=O)c1ccc(-c2ccc(C=C3C(=O)[N-]C(=O)NC3=O)o2)cc1	ZINC000016976357	518772859	/nfs/dbraw/zinc/77/28/59/518772859.db2.gz	YTHPYZAUZRMLDM-UHFFFAOYSA-N	-1	0	361.335	1.184	50	10		FDCARM
O=C1[N-]C(=S)N(c2cccc(Cl)c2)C(=O)C1=CNN1CCOCC1	ZINC000016994803	518773360	/nfs/dbraw/zinc/77/33/60/518773360.db2.gz	HISGZVONQRJJGD-FMIVXFBMSA-N	-1	0	366.830	1.649	50	10		FDCARM
CS(=O)(=O)Nc1ccccc1[N-]S(=O)(=O)c1cccc2nonc21	ZINC000083987622	571064792	/nfs/dbraw/zinc/06/47/92/571064792.db2.gz	URCWAHJGWWUYIU-UHFFFAOYSA-N	-1	0	368.396	1.395	50	10		FDCARM
O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)C1=CNN1CCOCC1	ZINC000008837771	132844141	/nfs/dbraw/zinc/84/41/41/132844141.db2.gz	NAJQETGFZULODG-XFXZXTDPSA-N	-1	0	350.762	1.484	50	10		FDCARM
CCOCCCNC=C1C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O	ZINC000005980098	518360221	/nfs/dbraw/zinc/36/02/21/518360221.db2.gz	CUVPYDBSIWBAKS-JLHYYAGUSA-N	-1	0	351.790	1.823	50	10		FDCARM
Cc1cc(C)c(N2C(=O)[N-]C(=O)C(=CNN3CCOCC3)C2=O)c(C)c1	ZINC000009270250	518501414	/nfs/dbraw/zinc/50/14/14/518501414.db2.gz	XSIWDXBQIDNRSY-UVTDQMKNSA-N	-1	0	358.398	1.756	50	10		FDCARM
Cc1[n-]n([C@H]2CCS(=O)(=O)C2)c(=O)c1C=Nc1ccc(F)cc1F	ZINC000013654793	518664462	/nfs/dbraw/zinc/66/44/62/518664462.db2.gz	ATGUGYBYPNUAPW-ZWIPKHHJSA-N	-1	0	355.366	1.666	50	10		FDCARM
CCN1C(=O)[N-]C(=O)/C(=C/c2ccc(N3CCOCC3)cc2OC)C1=O	ZINC000004458254	535435536	/nfs/dbraw/zinc/43/55/36/535435536.db2.gz	NUQGPMYNBARFFE-UVTDQMKNSA-N	-1	0	359.382	1.014	50	10		FDCARM
O=C1[N-]C(=O)N(CCC2=CCCCC2)C(=O)C1=CNCCCn1ccnc1	ZINC000002265738	204031592	/nfs/dbraw/zinc/03/15/92/204031592.db2.gz	GNGCQAUATOUEKH-DTQAZKPQSA-N	-1	0	371.441	1.716	50	10		FDCARM
CCOC(=O)c1ccc2[nH]c(=NC=C3C(=O)[N-]C(=O)NC3=O)sc2c1	ZINC000013999602	518671021	/nfs/dbraw/zinc/67/10/21/518671021.db2.gz	VJPJXJQYNURMBL-UHFFFAOYSA-N	-1	0	360.351	1.135	50	10		FDCARM
O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)C1=CNCCCn1ccnc1	ZINC000019608172	518822567	/nfs/dbraw/zinc/82/25/67/518822567.db2.gz	COFHRIJSNIUHAF-BENRWUELSA-N	-1	0	373.800	1.683	50	10		FDCARM
Cc1ccc(C(=O)Oc2ccc(C=C3C(=O)[N-]C(=O)NC3=O)cc2)cc1	ZINC000001191346	219387468	/nfs/dbraw/zinc/38/74/68/219387468.db2.gz	XXUOBAFKFCJXJT-UHFFFAOYSA-N	-1	0	350.330	1.964	50	10		FDCARM
O=C1[N-]C(=O)N(C2CCCCC2)C(=O)/C1=C/c1ccc(N2CCOCC2)o1	ZINC000004783809	204163318	/nfs/dbraw/zinc/16/33/18/204163318.db2.gz	DRTBMNFTYQITTN-NTCAYCPXSA-N	-1	0	373.409	1.911	50	10		FDCARM
CCOc1cc(C=C2C(=O)[N-]C(=O)NC2=O)cc(Br)c1O	ZINC000006600012	204255984	/nfs/dbraw/zinc/25/59/84/204255984.db2.gz	FENPYTXMYKYDSP-UHFFFAOYSA-N	-1	0	355.144	1.303	50	10		FDCARM
Cc1ccc(NC(=O)c2ccccc2NC=C2C(=O)[N-]C(=O)NC2=O)cc1	ZINC000008507105	204332998	/nfs/dbraw/zinc/33/29/98/204332998.db2.gz	UTWBXYDQVMGYGC-UHFFFAOYSA-N	-1	0	364.361	1.909	50	10		FDCARM
COc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Cl)c1OCC(=O)[O-]	ZINC000020149587	206330753	/nfs/dbraw/zinc/33/07/53/206330753.db2.gz	IUKVYUKECKXHTQ-UHFFFAOYSA-N	-1	0	370.770	1.567	50	10		FDCARM
Cc1c(C)c(=O)oc2c1ccc([O-])c2CN1CCN(S(C)(=O)=O)CC1	ZINC000079486999	523757291	/nfs/dbraw/zinc/75/72/91/523757291.db2.gz	ZTEZUMLKOAWAFW-UHFFFAOYSA-N	-1	0	366.439	1.193	50	10		FDCARM
COc1ccc([N+](=O)[O-])cc1/C=C1/SC(=S)N(CC(=O)[O-])C1=O	ZINC000002899462	204065771	/nfs/dbraw/zinc/06/57/71/204065771.db2.gz	ZUCIXNFMUUONAI-BJMVGYQFSA-N	-1	0	354.365	1.889	50	10		FDCARM
CCOc1cc(C=C2C(=O)[N-]C(=O)NC2=O)c(Br)cc1O	ZINC000004690668	204154973	/nfs/dbraw/zinc/15/49/73/204154973.db2.gz	CYVOQAOSDJEDAO-UHFFFAOYSA-N	-1	0	355.144	1.303	50	10		FDCARM
O=C(Cn1cc(C=C2C(=O)[N-]C(=O)NC2=O)c2ccccc21)N1CCCC1	ZINC000006548898	204253529	/nfs/dbraw/zinc/25/35/29/204253529.db2.gz	DMLMIWLQSWCBEU-UHFFFAOYSA-N	-1	0	366.377	1.013	50	10		FDCARM
C[C@@H](NC(=O)c1ccc(/C=C2\SC(=S)N(C)C2=O)cc1)C(=O)[O-]	ZINC000004942292	206183291	/nfs/dbraw/zinc/18/32/91/206183291.db2.gz	PLHQEGAFNZTLJT-XNYAHFKXSA-N	-1	0	350.421	1.721	50	10		FDCARM
COC(=O)c1ccccc1-n1c(C)cc(C=C2C(=O)[N-]C(=O)NC2=O)c1C	ZINC000001161663	518227744	/nfs/dbraw/zinc/22/77/44/518227744.db2.gz	ZFSAWIBXFVHVNW-UHFFFAOYSA-N	-1	0	367.361	1.630	50	10		FDCARM
CN(C)c1ncc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)cn1	ZINC000015303467	518717501	/nfs/dbraw/zinc/71/75/01/518717501.db2.gz	AFHASZBUXGWVME-MLPAPPSSSA-N	-1	0	355.329	1.348	50	10		FDCARM
COc1ccc(N(CC(=O)[O-])CC(=O)NCc2ccc3c(c2)OCO3)cc1	ZINC000034926454	208116635	/nfs/dbraw/zinc/11/66/35/208116635.db2.gz	IHEMXTBGIXVCET-UHFFFAOYSA-N	-1	0	372.377	1.631	50	10		FDCARM
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)ccc1O	ZINC000001178491	132380617	/nfs/dbraw/zinc/38/06/17/132380617.db2.gz	IMZONXHDVIBVQP-MDWZMJQESA-N	-1	0	354.318	1.773	50	10		FDCARM
O=C1[N-]C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C\c1ccc(O)cc1	ZINC000001177971	132380643	/nfs/dbraw/zinc/38/06/43/132380643.db2.gz	RQKHFVHRKDHADD-ZSOIEALJSA-N	-1	0	353.290	1.967	50	10		FDCARM
Cc1[n-]n(-c2ccccc2)c(=O)c1C=C1C(=O)N(C)C(=S)N(C)C1=O	ZINC000100222480	209212635	/nfs/dbraw/zinc/21/26/35/209212635.db2.gz	GRFZWGXSQUCKRK-GFCCVEGCSA-N	-1	0	356.407	1.167	50	10		FDCARM
Nc1cccc(NC=C2C(=O)[N-]C(=O)N(Cc3ccc(F)cc3)C2=O)c1	ZINC000006257454	207134756	/nfs/dbraw/zinc/13/47/56/207134756.db2.gz	ZETJNZDCRAVGQK-OQLLNIDSSA-N	-1	0	354.341	1.982	50	10		FDCARM
COc1cc([N+](=O)[O-])cc(/C=C2/C(=O)[N-]N(c3ccc(F)cc3)C2=O)c1O	ZINC000001161420	518227832	/nfs/dbraw/zinc/22/78/32/518227832.db2.gz	KRYGFSKXBRTZMU-QPEQYQDCSA-N	-1	0	373.296	1.910	50	10		FDCARM
O=C1[N-]C(=O)C(=Cc2ccc(Oc3nc(Cl)ncc3F)cc2)C(=O)N1	ZINC000002793016	518248846	/nfs/dbraw/zinc/24/88/46/518248846.db2.gz	YSYRQFLOZYZGCE-UHFFFAOYSA-N	-1	0	362.704	1.811	50	10		FDCARM
COc1ccc(N2C(=O)[N-]C(=O)C(=CNCCCn3ccnc3)C2=O)cc1	ZINC000020025622	524393304	/nfs/dbraw/zinc/39/33/04/524393304.db2.gz	CCUKQRDKNLDDIF-PTNGSMBKSA-N	-1	0	369.381	1.038	50	10		FDCARM
CCCCN1C(=O)[N-]C(=O)C(=CNc2ccc(N(CC)CCO)cc2)C1=O	ZINC000101028662	525217021	/nfs/dbraw/zinc/21/70/21/525217021.db2.gz	PLPBFIWRPZDIHJ-DTQAZKPQSA-N	-1	0	374.441	1.680	50	10		FDCARM
COc1cc([N+](=O)[O-])ccc1-c1ccc(C=C2C(=O)[N-]C(=O)NC2=O)o1	ZINC000006641957	207150415	/nfs/dbraw/zinc/15/04/15/207150415.db2.gz	WMWXYFIZAGNTRY-UHFFFAOYSA-N	-1	0	357.278	1.613	50	10		FDCARM
Cn1c2ccc(/C=C3/C(=O)[N-]N(c4cccc(F)c4)C3=O)cc2n(C)c1=O	ZINC000012466516	207380871	/nfs/dbraw/zinc/38/08/71/207380871.db2.gz	CUPCCFYZEUTKAQ-ZSOIEALJSA-N	-1	0	366.352	1.478	50	10		FDCARM
CC(=O)Nc1ccc2[nH]c(=NC=C3C(=O)NC(=S)NC3=O)sc2c1	ZINC000040476899	208254726	/nfs/dbraw/zinc/25/47/26/208254726.db2.gz	CMCTWCKLHHADKE-UHFFFAOYSA-N	-1	0	361.408	1.081	50	10		FDCARM
Cc1ccc(N2C(=O)[N-]C(=O)C(=CNCCCn3ccnc3)C2=O)cc1C	ZINC000096454141	132225310	/nfs/dbraw/zinc/22/53/10/132225310.db2.gz	DMUVUCIXIYYYIZ-LFIBNONCSA-N	-1	0	367.409	1.647	50	10		FDCARM
COc1ccccc1NNC=C1C(=O)[N-]C(=O)N(c2ccccc2)C1=O	ZINC000005515173	518348299	/nfs/dbraw/zinc/34/82/99/518348299.db2.gz	AUXLNEUTSDRJER-QBFSEMIESA-N	-1	0	352.350	1.779	50	10		FDCARM
Cc1ccc(N2C(=O)[N-]C(=O)C(=CNCCCn3ccnc3)C2=O)cc1C	ZINC000020265840	524925401	/nfs/dbraw/zinc/92/54/01/524925401.db2.gz	DMUVUCIXIYYYIZ-WJDWOHSUSA-N	-1	0	367.409	1.647	50	10		FDCARM
COc1c(Br)cc(Cl)cc1C=C1C(=O)[N-]C(=O)NC1=O	ZINC000001136362	219378118	/nfs/dbraw/zinc/37/81/18/219378118.db2.gz	ZKFUQMTWOMLNLQ-UHFFFAOYSA-N	-1	0	359.563	1.861	50	10		FDCARM
CN1C(=O)/C(=C\c2ccc(-c3ccccc3C(=O)[O-])o2)C(=O)NC1=S	ZINC000009286870	207264910	/nfs/dbraw/zinc/26/49/10/207264910.db2.gz	MNEIOLMUJVJYMT-WQLSENKSSA-N	-1	0	356.359	1.901	50	10		FDCARM
COc1cc(/C=C2/C(=O)[N-]C(=O)N(C)C2=O)cc(Br)c1O	ZINC000012416511	207373514	/nfs/dbraw/zinc/37/35/14/207373514.db2.gz	GQGDTCDESJFYPH-CLTKARDFSA-N	-1	0	355.144	1.255	50	10		FDCARM
O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)C1=CNCCCn1ccnc1	ZINC000100402600	132232764	/nfs/dbraw/zinc/23/27/64/132232764.db2.gz	QOSZHVKOBSWSNK-GXDHUFHOSA-N	-1	0	373.800	1.683	50	10		FDCARM
CC(C)NS(=O)(=O)c1cc2c(c(O)c1[O-])C(=O)c1ccccc1C2=O	ZINC000072194197	522202987	/nfs/dbraw/zinc/20/29/87/522202987.db2.gz	NXQWDUGUUKTWBU-UHFFFAOYSA-N	-1	0	361.375	1.560	50	10		FDCARM
CC[C@@H](NS(=O)(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O)C(=O)[O-]	ZINC000010435050	207300661	/nfs/dbraw/zinc/30/06/61/207300661.db2.gz	IPETWCDAVZXYBU-OAHLLOKOSA-N	-1	0	373.386	1.604	50	10		FDCARM
NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2cccc3nsnc32)cc1	ZINC000014256773	518686109	/nfs/dbraw/zinc/68/61/09/518686109.db2.gz	AJCWMUXKOIBNMN-UHFFFAOYSA-N	-1	0	370.437	1.140	50	10		FDCARM
CCOC(=O)c1ccccc1-c1ccc(C=C2C(=O)[N-]C(=O)NC2=O)o1	ZINC000001220755	518228564	/nfs/dbraw/zinc/22/85/64/518228564.db2.gz	YIAHSQFGTNVPKC-UHFFFAOYSA-N	-1	0	354.318	1.873	50	10		FDCARM
CN1C(=O)[N-]C(=O)/C(=C\c2cc3c(cc2Br)OCO3)C1=O	ZINC000001202659	518229232	/nfs/dbraw/zinc/22/92/32/518229232.db2.gz	XVKTWFTVDCIVAC-FARCUNLSSA-N	-1	0	353.128	1.269	50	10		FDCARM
O=C(Nc1cc(=O)n(-c2ccccc2)[nH]1)c1cccc(S(=O)(=O)[O-])c1	ZINC000002163812	518237897	/nfs/dbraw/zinc/23/78/97/518237897.db2.gz	WLJRDNBJIVOOPC-UHFFFAOYSA-N	-1	0	359.363	1.414	50	10		FDCARM
O=C([O-])[C@H](NCC[NH2+][C@@H](C(=O)[O-])c1ccccc1O)c1ccccc1O	ZINC000019369281	518810570	/nfs/dbraw/zinc/81/05/70/518810570.db2.gz	PZZHMLOHNYWKIK-HZPDHXFCSA-N	-1	0	360.366	1.229	50	10	in-vitro	FDCARM
CCOc1ccc(N2C(=O)[N-]C(=O)C(=CNN3CCCCC3)C2=O)cc1	ZINC000019948836	518841154	/nfs/dbraw/zinc/84/11/54/518841154.db2.gz	MGXKADPLBRJOOQ-QINSGFPZSA-N	-1	0	358.398	1.543	50	10		FDCARM
COc1cc([N+](=O)[O-])ccc1-n1cccc1C=C1C(=O)[N-]C(=O)NC1=O	ZINC000004908816	207061900	/nfs/dbraw/zinc/06/19/00/207061900.db2.gz	GAIHZLJRFIYFPP-UHFFFAOYSA-N	-1	0	356.294	1.984	50	10		FDCARM
Cc1cccc(N2C(=O)[N-]C(=O)C(=CNCc3cccnc3)C2=O)c1C	ZINC000101136376	132233524	/nfs/dbraw/zinc/23/35/24/132233524.db2.gz	IRWMAXQDNFKZQM-PTNGSMBKSA-N	-1	0	350.378	1.955	50	10		FDCARM
COc1ccc(N2CCN(C(=O)Cc3c(C(=O)[O-])c(C)cn3C)CC2)cc1	ZINC000008607670	518481447	/nfs/dbraw/zinc/48/14/47/518481447.db2.gz	BPNDTZWAJKOHQR-UHFFFAOYSA-N	-1	0	371.437	1.932	50	10		FDCARM
Cc1cc(S(=O)(=O)Nc2ccc([O-])c(S(N)(=O)=O)c2)ccc1F	ZINC000089587800	524512266	/nfs/dbraw/zinc/51/22/66/524512266.db2.gz	YRFDGOTZLZMZFL-UHFFFAOYSA-N	-1	0	360.388	1.288	50	10		FDCARM
O=C([O-])CN1C(=O)/C(=C\c2cc3c(cc2[N+](=O)[O-])OCO3)SC1=S	ZINC000002993874	219481242	/nfs/dbraw/zinc/48/12/42/219481242.db2.gz	LPTUNDXTPIBMCN-WTDSWWLTSA-N	-1	0	368.348	1.609	50	10		FDCARM
O=C1/C(=C/c2ccc(O)c(O)c2)SC(=S)N1CCS(=O)(=O)[O-]	ZINC000005551798	219688642	/nfs/dbraw/zinc/68/86/42/219688642.db2.gz	CJPOPQQVPZUWLY-POHAHGRESA-N	-1	0	361.422	1.187	50	10		FDCARM
CN(C)S(=O)(=O)c1ccc(N=Cc2c(=O)[nH][n-]c2C(F)(F)F)cc1	ZINC000100257849	222240345	/nfs/dbraw/zinc/24/03/45/222240345.db2.gz	UPQFICZORDZTNF-JXMROGBWSA-N	-1	0	362.333	1.281	50	10		FDCARM
Cc1cccc(N2[N-]C(=O)/C(=C/c3ccc4c(c3)n(C)c(=O)n4C)C2=O)c1	ZINC000004498112	518301332	/nfs/dbraw/zinc/30/13/32/518301332.db2.gz	JPCUPMBITRYQFM-GDNBJRDFSA-N	-1	0	362.389	1.647	50	10		FDCARM
COC(=O)c1ccc(N2[N-]C(=O)/C(=C/c3ccc([N+](=O)[O-])o3)C2=O)cc1	ZINC000005123930	518330898	/nfs/dbraw/zinc/33/08/98/518330898.db2.gz	LKIUMJGOPZJJLT-WQLSENKSSA-N	-1	0	357.278	1.436	50	10		FDCARM
O=C1[N-]C(=O)N(Cc2ccc(F)cc2)C(=O)C1=CNCc1cccnc1	ZINC000005855332	518357427	/nfs/dbraw/zinc/35/74/27/518357427.db2.gz	XBHAJTLIIXMJMW-XNTDXEJSSA-N	-1	0	354.341	1.473	50	10		FDCARM
O=C1[N-]C(=S)N(c2ccccc2F)C(=O)C1=CNN1CCOCC1	ZINC000020024316	518843089	/nfs/dbraw/zinc/84/30/89/518843089.db2.gz	KNCGMBJHRAANDO-KTKRTIGZSA-N	-1	0	350.375	1.134	50	10		FDCARM
COc1cc([N-]S(=O)(=O)c2cccs2)ccc1NS(C)(=O)=O	ZINC000032088094	519481777	/nfs/dbraw/zinc/48/17/77/519481777.db2.gz	DJFKVTOPMGUCIW-UHFFFAOYSA-N	-1	0	362.454	1.929	50	10		FDCARM
CCN(CC)c1ccc([C@H]2CC(c3c(=O)[nH]c(=O)n(C)c3[O-])=NN2)cc1	ZINC000101763612	222283606	/nfs/dbraw/zinc/28/36/06/222283606.db2.gz	JCSIQULGDGQIDD-CYBMUJFWSA-N	-1	0	357.414	1.064	50	10		FDCARM
COc1cc(C=C2C(=O)[N-]C(=O)NC2=O)ccc1OC(=O)c1ccco1	ZINC000004906807	518318246	/nfs/dbraw/zinc/31/82/46/518318246.db2.gz	OSIWIGDFEAZZSC-UHFFFAOYSA-N	-1	0	356.290	1.257	50	10		FDCARM
C=C(c1ccc(N)cc1)C1SC(=S)N(CCS(=O)(=O)[O-])C1=O	ZINC000005520153	518348206	/nfs/dbraw/zinc/34/82/06/518348206.db2.gz	ZBGPRWJZKPYTBA-DHZHZOJOSA-N	-1	0	358.466	1.748	50	10		FDCARM
CCOC(=O)c1ccc(NN=Nc2nc3c([n-]2)c(=O)n(C)c(=O)n3C)cc1	ZINC000009057745	518496200	/nfs/dbraw/zinc/49/62/00/518496200.db2.gz	OPJCAJNRFOMZEA-UHFFFAOYSA-N	-1	0	371.357	1.248	50	10		FDCARM
COCCCN1C(=O)[N-]C(=O)C(=CNc2cccc3ncccc32)C1=O	ZINC000013549989	211039801	/nfs/dbraw/zinc/03/98/01/211039801.db2.gz	GXVGQAMKTWDXRA-ACCUITESSA-N	-1	0	354.366	1.646	50	10		FDCARM
O=C1[N-]C(=O)N(Cc2ccccc2)C(=O)C1=CNCCCn1ccnc1	ZINC000019997727	527047910	/nfs/dbraw/zinc/04/79/10/527047910.db2.gz	PWNVPKADMFVWRW-RVDMUPIBSA-N	-1	0	353.382	1.025	50	10		FDCARM
O=C1Nc2ccccc2/C1=C1/SC(=S)N(CCS(=O)(=O)[O-])C1=O	ZINC000004291568	219562064	/nfs/dbraw/zinc/56/20/64/219562064.db2.gz	GYAVREVUUDNKJL-KTKRTIGZSA-N	-1	0	370.433	1.098	50	10		FDCARM
CN(C)c1ccc(/C=C2\C(=O)[N-]C(=O)N(C)C2=O)cc1Br	ZINC000001200197	210334277	/nfs/dbraw/zinc/33/42/77/210334277.db2.gz	OQRKGSOTXOZARH-RMKNXTFCSA-N	-1	0	352.188	1.607	50	10		FDCARM
O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C/c1ccc(N2CCOCC2)o1	ZINC000001198178	132380958	/nfs/dbraw/zinc/38/09/58/132380958.db2.gz	RLRGWZJQDAVISO-NTCAYCPXSA-N	-1	0	367.361	1.783	50	10		FDCARM
COC(=O)[C@@]([N-]S(C)(=O)=O)(c1ccc(N(C)C)cc1)C(F)(F)F	ZINC000002503866	518243316	/nfs/dbraw/zinc/24/33/16/518243316.db2.gz	RCZCBQCJARRDQB-LBPRGKRZSA-N	-1	0	354.350	1.232	50	10		FDCARM
COC(=O)c1ccc(N2[N-]C(=O)/C(=C/c3ccc4c(c3)OCO4)C2=O)cc1	ZINC000004656217	518306515	/nfs/dbraw/zinc/30/65/15/518306515.db2.gz	KHBLFBDSYUCHFS-ZSOIEALJSA-N	-1	0	366.329	1.663	50	10		FDCARM
C[C@H](NC(=O)c1ccc(/C=C2\SC(=S)N(C)C2=O)cc1)C(=O)[O-]	ZINC000004942291	518321720	/nfs/dbraw/zinc/32/17/20/518321720.db2.gz	PLHQEGAFNZTLJT-CLUBXZQOSA-N	-1	0	350.421	1.721	50	10		FDCARM
CCOc1ccccc1N1C(=O)[N-]C(=O)C(=CNN2CCOCC2)C1=O	ZINC000006784213	518386487	/nfs/dbraw/zinc/38/64/87/518386487.db2.gz	KFCZHKPHVYRZFG-QXMHVHEDSA-N	-1	0	360.370	1.229	50	10		FDCARM
O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)C1=CNN1CCOCC1	ZINC000009008192	518493695	/nfs/dbraw/zinc/49/36/95/518493695.db2.gz	WHLGURYXAKYSCW-XFXZXTDPSA-N	-1	0	350.762	1.484	50	10		FDCARM
COc1ccc(N2CCN(C(=O)c3c[n-]n4c3nc(C)cc4=O)CC2)cc1	ZINC000067225551	536689292	/nfs/dbraw/zinc/68/92/92/536689292.db2.gz	ISMXZDTZJNWLBO-UHFFFAOYSA-N	-1	0	367.409	1.302	50	10		FDCARM
COc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(O)c(O)c3)C2=O)c1	ZINC000005043798	806838315	/nfs/dbraw/zinc/83/83/15/806838315.db2.gz	JUQSISBKTZQMOL-QPEQYQDCSA-N	-1	0	354.318	1.773	50	10		FDCARM
C[C@H](C(=O)[O-])n1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c2ccccc21	ZINC000004739858	210558453	/nfs/dbraw/zinc/55/84/53/210558453.db2.gz	FOJGURACPYIOLT-SNVBAGLBSA-N	-1	0	355.350	1.721	50	10		FDCARM
COc1cc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)cc(OC)c1O	ZINC000002029808	210376523	/nfs/dbraw/zinc/37/65/23/210376523.db2.gz	HSJDQKSDJVXUHE-BJMVGYQFSA-N	-1	0	355.393	1.695	50	10		FDCARM
C[C@H]([C@H](O)c1ccccc1)N(C)N=Nc1nc2c([n-]1)c(=O)n(C)c(=O)n2C	ZINC000004812319	518313395	/nfs/dbraw/zinc/31/33/95/518313395.db2.gz	DKPWRKAANNQCOW-IJOUTHPGSA-N	-1	0	371.401	1.013	50	10		FDCARM
Cc1ccc(N2C(=O)C(=CNCc3ccccn3)C(=O)[N-]C2=S)cc1	ZINC000005626004	518350158	/nfs/dbraw/zinc/35/01/58/518350158.db2.gz	KBJUYKXHZKNDOT-RVDMUPIBSA-N	-1	0	352.419	1.811	50	10		FDCARM
CSc1ncc(/C=C2/C(=O)[N-]C(=O)N(Cc3ccccc3)C2=O)cn1	ZINC000015856569	211145898	/nfs/dbraw/zinc/14/58/98/211145898.db2.gz	SFYVFQVEPHNJKS-QPEQYQDCSA-N	-1	0	354.391	1.861	50	10		FDCARM
C[C@H]([C@@H](O)c1ccccc1)N(C)N=Nc1nc2c([n-]1)c(=O)n(C)c(=O)n2C	ZINC000001649533	210363780	/nfs/dbraw/zinc/36/37/80/210363780.db2.gz	DKPWRKAANNQCOW-IUECEUQRSA-N	-1	0	371.401	1.013	50	10		FDCARM
O=C1[N-]C(=O)N(c2ccccc2)C(=O)C1=CNCc1ccc2c(c1)OCO2	ZINC000085877955	132199440	/nfs/dbraw/zinc/19/94/40/132199440.db2.gz	BCUUAQRYVVPUGY-GXDHUFHOSA-N	-1	0	365.345	1.672	50	10		FDCARM
O=C1[N-]C(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/NN1CCCCC1	ZINC000009348347	132378468	/nfs/dbraw/zinc/37/84/68/132378468.db2.gz	SVAYLUMOADSFRM-JLHYYAGUSA-N	-1	0	364.858	1.962	50	10		FDCARM
O=C1[N-]C(=O)N(CCc2ccccc2)C(=O)/C1=C/NN1CCCCCC1	ZINC000005100792	518331090	/nfs/dbraw/zinc/33/10/90/518331090.db2.gz	YIJBKIRQOJQKBU-JQIJEIRASA-N	-1	0	356.426	1.572	50	10		FDCARM
COc1cccc(N2C(=O)C(=CNN3CCOCC3)C(=O)[N-]C2=S)c1	ZINC000019996910	518841582	/nfs/dbraw/zinc/84/15/82/518841582.db2.gz	NANGJMJWKSJIBF-RAXLEYEMSA-N	-1	0	362.411	1.004	50	10		FDCARM
CNC(=O)Cc1ccccc1[N-]S(=O)(=O)c1cccc2nsnc21	ZINC000019080197	211201082	/nfs/dbraw/zinc/20/10/82/211201082.db2.gz	CZHHPHDIKSSVOC-UHFFFAOYSA-N	-1	0	362.436	1.781	50	10		FDCARM
COc1cc(OC)c(OC)cc1/C=C1/SC(=S)N(CC(=O)[O-])C1=O	ZINC000003213190	210454186	/nfs/dbraw/zinc/45/41/86/210454186.db2.gz	XPQIEJSHGZQRSN-LFYBBSHMSA-N	-1	0	369.420	1.998	50	10		FDCARM
CCOC(=O)c1ccc(N2[N-]C(=O)/C(=C/c3ccc([N+](=O)[O-])o3)C2=O)cc1	ZINC000005009986	518325572	/nfs/dbraw/zinc/32/55/72/518325572.db2.gz	ARGIPZKQJGFSGQ-LCYFTJDESA-N	-1	0	371.305	1.826	50	10	in-vitro	FDCARM
COc1ccc(N(CC(=O)[O-])CC(=O)NCCc2ccccc2OC)cc1	ZINC000034926462	519599903	/nfs/dbraw/zinc/59/99/03/519599903.db2.gz	SNRIYZRWEPKNBX-UHFFFAOYSA-N	-1	0	372.421	1.954	50	10		FDCARM
O=C1[N-]C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccnc2)C(=O)N1	ZINC000003252387	210458693	/nfs/dbraw/zinc/45/86/93/210458693.db2.gz	BOAZRSZQABQECM-UHFFFAOYSA-N	-1	0	359.345	1.684	50	10		FDCARM
COC(=O)C1=C(O)C(=O)C2=C([O-])c3c(OC)ccc(Cl)c3C[C@H]2C1	ZINC000257356403	533056554	/nfs/dbraw/zinc/05/65/54/533056554.db2.gz	HVDXWBNWZWSVDJ-VMAXQDLPSA-N	-1	0	350.754	1.651	50	10		FDCARM
COC(=O)c1ccc(-c2ccc(C=C3C(=O)[N-]C(=O)NC3=O)o2)c(C)c1	ZINC000001411687	210350121	/nfs/dbraw/zinc/35/01/21/210350121.db2.gz	HYLMIHYJFIUJHB-UHFFFAOYSA-N	-1	0	354.318	1.791	50	10		FDCARM
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc([N+](=O)[O-])o3)C2=O)cc1	ZINC000004805999	132255213	/nfs/dbraw/zinc/25/52/13/132255213.db2.gz	NYOVVPQEUCYLSQ-WQLSENKSSA-N	-1	0	357.278	1.863	50	10		FDCARM
O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)C1=CNC1CC1	ZINC000005763701	518353358	/nfs/dbraw/zinc/35/33/58/518353358.db2.gz	AGDIAIYEJVVNPV-YRNVUSSQSA-N	-1	0	350.172	1.668	50	10		FDCARM
O=C([O-])CNC(=O)CN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S	ZINC000006590786	518377470	/nfs/dbraw/zinc/37/74/70/518377470.db2.gz	VGGPZDRNVBJJJJ-YHYXMXQVSA-N	-1	0	370.839	1.742	50	10		FDCARM
COc1cc(C=C2C(=O)[N-]C(=O)NC2=O)ccc1OC(=O)c1ccccc1	ZINC000001204441	219389039	/nfs/dbraw/zinc/38/90/39/219389039.db2.gz	AVOQWUALYABMNO-UHFFFAOYSA-N	-1	0	366.329	1.664	50	10		FDCARM
O=C([O-])[C@H](NCC[NH2+][C@H](C(=O)[O-])c1ccccc1O)c1ccccc1O	ZINC000019369278	220253904	/nfs/dbraw/zinc/25/39/04/220253904.db2.gz	PZZHMLOHNYWKIK-IYBDPMFKSA-N	-1	0	360.366	1.229	50	10	in-vitro	FDCARM
COc1ccc(C=C2C(=O)[N-]C(=O)NC2=O)cc1I	ZINC000002964808	518255945	/nfs/dbraw/zinc/25/59/45/518255945.db2.gz	ULYYVZYYVWOCEH-UHFFFAOYSA-N	-1	0	372.118	1.049	50	10		FDCARM
C[C@@H](C(=O)[O-])n1ccc2cc(C=C3C(=O)N(C)C(=O)N(C)C3=O)ccc21	ZINC000004703703	518309659	/nfs/dbraw/zinc/30/96/59/518309659.db2.gz	KZUFZRDDLAQZON-JTQLQIEISA-N	-1	0	355.350	1.721	50	10		FDCARM
CC(C)c1ccc(N2C(=O)C(=CNN3CCOCC3)C(=O)[N-]C2=S)cc1	ZINC000006782280	518386379	/nfs/dbraw/zinc/38/63/79/518386379.db2.gz	JFPVLHALVRMATN-PTNGSMBKSA-N	-1	0	374.466	1.690	50	10		FDCARM
CCOC(=O)c1ccc(N2[N-]C(=O)/C(=C\c3ccc([N+](=O)[O-])o3)C2=O)cc1	ZINC000033398979	519587523	/nfs/dbraw/zinc/58/75/23/519587523.db2.gz	ARGIPZKQJGFSGQ-UKTHLTGXSA-N	-1	0	371.305	1.826	50	10	in-vitro	FDCARM
COc1ccccc1C(=O)NCCC(=O)NCc1cc([N+](=O)[O-])ccc1[O-]	ZINC000015559077	220155795	/nfs/dbraw/zinc/15/57/95/220155795.db2.gz	JURFLDMGBVDFDA-UHFFFAOYSA-N	-1	0	373.365	1.745	50	10		FDCARM
CCc1ccc(N2C(=O)[N-]C(=O)C(=CNCCCn3ccnc3)C2=O)cc1	ZINC000095483382	536184424	/nfs/dbraw/zinc/18/44/24/536184424.db2.gz	ZPONRZUIFRUTCF-VBKFSLOCSA-N	-1	0	367.409	1.592	50	10		FDCARM
COc1ccc(/C=C2/C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)c(OC)c1	ZINC000000876892	219335233	/nfs/dbraw/zinc/33/52/33/219335233.db2.gz	YUCBYBODCLWUGI-ZSOIEALJSA-N	-1	0	356.334	1.959	50	10		FDCARM
Cc1[n-]n([C@@H]2CCS(=O)(=O)C2)c(=O)c1C=Nc1ccc(F)cc1F	ZINC000013654791	220081840	/nfs/dbraw/zinc/08/18/40/220081840.db2.gz	ATGUGYBYPNUAPW-HBZGRHIISA-N	-1	0	355.366	1.666	50	10		FDCARM
CN(C)c1ccc([C@H]2CC(c3c([O-])n(C)c(=S)n(C)c3=O)=NN2)cc1	ZINC000015834669	220166295	/nfs/dbraw/zinc/16/62/95/220166295.db2.gz	VOBMLAJTNGHMJD-GFCCVEGCSA-N	-1	0	359.455	1.664	50	10		FDCARM
COc1cc2c(cc1/C=C1\SC(=S)N(CC(=O)[O-])C1=O)OCO2	ZINC000016267251	220181512	/nfs/dbraw/zinc/18/15/12/220181512.db2.gz	BWRJXOVMKNHDOM-JYOAFUTRSA-N	-1	0	353.377	1.710	50	10		FDCARM
CCN(CC)c1nc2c(C)cccn2c(=O)c1C=C1C(=O)[N-]C(=O)NC1=O	ZINC000002674902	518247176	/nfs/dbraw/zinc/24/71/76/518247176.db2.gz	ISKJIZVDEMXIBX-UHFFFAOYSA-N	-1	0	369.381	1.439	50	10		FDCARM
O=C1[N-]C(=O)C(=Cc2ccc(OCCOc3ccccc3)cc2)C(=O)N1	ZINC000002992416	518256559	/nfs/dbraw/zinc/25/65/59/518256559.db2.gz	ZJKNJFHVMCXVNN-UHFFFAOYSA-N	-1	0	352.346	1.894	50	10		FDCARM
CCOc1cc(/C=C2/SC(NC(C)=O)=NC2=O)ccc1OCC(=O)[O-]	ZINC000003662871	518279368	/nfs/dbraw/zinc/27/93/68/518279368.db2.gz	SAAIQMDERIFPLG-NTUHNPAUSA-N	-1	0	364.379	1.655	50	10		FDCARM
Nc1ccccc1NC=C1C(=O)[N-]C(=O)N(Cc2ccc(F)cc2)C1=O	ZINC000005904397	518358353	/nfs/dbraw/zinc/35/83/53/518358353.db2.gz	LQGQOOYZACOWMQ-UKTHLTGXSA-N	-1	0	354.341	1.982	50	10		FDCARM
O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)SC(=S)N1CCS(=O)(=O)[O-]	ZINC000009972488	518521816	/nfs/dbraw/zinc/52/18/16/518521816.db2.gz	BOBSPPRTKBRNPJ-YFHOEESVSA-N	-1	0	374.421	1.684	50	10		FDCARM
CCN(CC)c1ccc([C@H]2CC(c3c([O-])n(C)c(=O)n(C)c3=O)=NN2)cc1	ZINC000101761629	222283074	/nfs/dbraw/zinc/28/30/74/222283074.db2.gz	YZXTUEZLWHSWGG-CQSZACIVSA-N	-1	0	371.441	1.075	50	10		FDCARM
C[C@@H]([C@H](O)c1ccccc1)N(C)N=Nc1nc2c([n-]1)c(=O)n(C)c(=O)n2C	ZINC000004812317	518312223	/nfs/dbraw/zinc/31/22/23/518312223.db2.gz	DKPWRKAANNQCOW-BCBQPNFDSA-N	-1	0	371.401	1.013	50	10		FDCARM
O=C1[N-]C(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C\c1ccc([N+](=O)[O-])o1	ZINC000004808450	518313580	/nfs/dbraw/zinc/31/35/80/518313580.db2.gz	NNADYMOQYRQMAC-GHXNOFRVSA-N	-1	0	359.269	1.989	50	10		FDCARM
CN(C)c1ccc(/C=C2\C(=O)[N-]C(=O)N(C(C)(C)C)C2=O)cc1[N+](=O)[O-]	ZINC000005481411	518345856	/nfs/dbraw/zinc/34/58/56/518345856.db2.gz	MBSCYYFTGCJCPI-DHZHZOJOSA-N	-1	0	360.370	1.921	50	10		FDCARM
O=C1[N-]C(=O)N(c2ccccc2)C(=O)C1=CNc1cc([N+](=O)[O-])ccc1O	ZINC000019804776	518837097	/nfs/dbraw/zinc/83/70/97/518837097.db2.gz	ADOJSDOUCYYVKI-FMIVXFBMSA-N	-1	0	368.305	1.879	50	10		FDCARM
O=C1[N-]C(=O)N(CCc2ccccc2)C(=O)C1=CNCCCn1ccnc1	ZINC000100765669	222251728	/nfs/dbraw/zinc/25/17/28/222251728.db2.gz	BFCAMROSZTZFJF-DTQAZKPQSA-N	-1	0	367.409	1.068	50	10		FDCARM
COc1cc(/C=C2\SC(=S)N(CC(=O)[O-])C2=O)cc(OC)c1OC	ZINC000012504546	263370466	/nfs/dbraw/zinc/37/04/66/263370466.db2.gz	IEGUKUKYZRIVQB-WDZFZDKYSA-N	-1	0	369.420	1.998	50	10		FDCARM
CC(=O)N1NC(=C2C(=O)[N-]C(=O)N(C)C2=O)C[C@H]1c1ccc(N(C)C)cc1	ZINC000008915115	518491898	/nfs/dbraw/zinc/49/18/98/518491898.db2.gz	LTBCJJDMBOVDQG-RHIYTYFCSA-N	-1	0	371.397	1.353	50	10		FDCARM
CC(=O)[C@@H]1[C@@H](c2cc([N+](=O)[O-])ccc2[O-])NC(=O)N[C@@]1(O)C(F)(F)F	ZINC000012377534	518607519	/nfs/dbraw/zinc/60/75/19/518607519.db2.gz	WTHPTSFYYHZJHZ-FOGDFJRCSA-N	-1	0	363.248	1.110	50	10		FDCARM
CCCOc1ccc(Br)cc1C=C1C(=O)[N-]C(=O)NC1=O	ZINC000002901473	518254408	/nfs/dbraw/zinc/25/44/08/518254408.db2.gz	JVPSEJSZPRWTFR-UHFFFAOYSA-N	-1	0	353.172	1.987	50	10		FDCARM
CN1C(=O)C(=Cc2cc(Br)ccc2OCC(=O)[O-])NC1=S	ZINC000004725646	518309325	/nfs/dbraw/zinc/30/93/25/518309325.db2.gz	ZIWGRIUSYOCPCB-UITAMQMPSA-N	-1	0	371.212	1.600	50	10		FDCARM
CCCCN1C(=O)[N-]C(=O)/C(=C\c2ccc(N(C)C)c([N+](=O)[O-])c2)C1=O	ZINC000004819276	518314811	/nfs/dbraw/zinc/31/48/11/518314811.db2.gz	UTXPCDHXXRYZCQ-FMIVXFBMSA-N	-1	0	360.370	1.923	50	10		FDCARM
O=c1[nH]c2ccc(NC=C3C(=O)[N-]C(=O)N(c4ccccc4)C3=O)cc2[nH]1	ZINC000006864637	518390376	/nfs/dbraw/zinc/39/03/76/518390376.db2.gz	CBVPVHPNKCDROV-XFXZXTDPSA-N	-1	0	363.333	1.435	50	10		FDCARM
CCc1nnc(NC=C2C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)s1	ZINC000013564316	518660710	/nfs/dbraw/zinc/66/07/10/518660710.db2.gz	BRKXZEXKMMZELU-DHZHZOJOSA-N	-1	0	357.395	1.988	50	10		FDCARM
COc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc(O)c(O)c3)C2=O)cc1	ZINC000001065790	219362418	/nfs/dbraw/zinc/36/24/18/219362418.db2.gz	XKSSOQOSZIEVSV-RIYZIHGNSA-N	-1	0	368.345	1.768	50	10		FDCARM
O=C(Oc1ccc(C=C2C(=O)[N-]C(=O)NC2=O)cc1)c1ccc(F)cc1	ZINC000001122358	219374307	/nfs/dbraw/zinc/37/43/07/219374307.db2.gz	HHJAPSAETVQMER-UHFFFAOYSA-N	-1	0	354.293	1.794	50	10		FDCARM
O=C([O-])[C@H](Cc1ccc(O)c(O)c1)NC(=O)/C=C/c1ccc(O)c(O)c1	ZINC000003649853	219524208	/nfs/dbraw/zinc/52/42/08/219524208.db2.gz	GPZFXSWMDFBRGS-UXONFWTHSA-N	-1	0	359.334	1.334	50	10	endogenous,in-man	FDCARM
CN(C)c1ccc(/C=C2/C(=O)[N-]C(=O)N(C)C2=O)cc1Br	ZINC000015722616	220161848	/nfs/dbraw/zinc/16/18/48/220161848.db2.gz	OQRKGSOTXOZARH-TWGQIWQCSA-N	-1	0	352.188	1.607	50	10		FDCARM
O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)C1=CNCCCn1ccnc1	ZINC000100347993	132232470	/nfs/dbraw/zinc/23/24/70/132232470.db2.gz	COFHRIJSNIUHAF-ZRDIBKRKSA-N	-1	0	373.800	1.683	50	10		FDCARM
Cc1cccc(N2C(=O)[N-]C(=O)C(=CNCc3cccnc3)C2=O)c1C	ZINC000004301936	132386726	/nfs/dbraw/zinc/38/67/26/132386726.db2.gz	IRWMAXQDNFKZQM-RVDMUPIBSA-N	-1	0	350.378	1.955	50	10		FDCARM
COc1ccc(CCNC(=O)CN(CC(=O)[O-])c2ccc(OC)cc2)cc1	ZINC000034926451	519599353	/nfs/dbraw/zinc/59/93/53/519599353.db2.gz	XRNLBYKYFPMJPK-UHFFFAOYSA-N	-1	0	372.421	1.954	50	10		FDCARM
CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000036142717	519616479	/nfs/dbraw/zinc/61/64/79/519616479.db2.gz	MRYWSBCZGMXQNI-UHFFFAOYSA-N	-1	0	365.367	1.298	50	10		FDCARM
COCCN1C(=O)c2ccc(C(=O)Nc3ccccc3C(=O)[O-])cc2C1=O	ZINC000002154392	518238353	/nfs/dbraw/zinc/23/83/53/518238353.db2.gz	DCOOYVZGWMWRCU-UHFFFAOYSA-N	-1	0	368.345	1.880	50	10		FDCARM
COC(=O)c1cc(CN2C(=O)c3ccccc3C2=O)c([O-])c([N+](=O)[O-])c1	ZINC000004580134	518304404	/nfs/dbraw/zinc/30/44/04/518304404.db2.gz	HAIYABUPJWVPCY-UHFFFAOYSA-N	-1	0	356.290	1.883	50	10		FDCARM
CCOC(=O)c1c2c(sc1NC=C1C(=O)[N-]C(=O)NC1=O)CCCC2	ZINC000006655994	518379637	/nfs/dbraw/zinc/37/96/37/518379637.db2.gz	RYPXJQZKGUGWTK-UHFFFAOYSA-N	-1	0	363.395	1.465	50	10		FDCARM
CCN1C(=O)C(=Cc2ccc(OCC(=O)[O-])cc2)C(=O)N(CC)C1=S	ZINC000004477875	203809871	/nfs/dbraw/zinc/80/98/71/203809871.db2.gz	LIFZRVYNVXVWIA-UHFFFAOYSA-N	-1	0	362.407	1.529	50	10		FDCARM
CCN1C(=O)C(=Cc2cccc(OCC(=O)[O-])c2)C(=O)N(CC)C1=S	ZINC000004742272	204160892	/nfs/dbraw/zinc/16/08/92/204160892.db2.gz	DJFAXANCNQGXAH-UHFFFAOYSA-N	-1	0	362.407	1.529	50	10		FDCARM
O=C1/C(=C/c2ccc3c(c2)OCO3)SC(=S)N1CCS(=O)(=O)[O-]	ZINC000004291566	206172967	/nfs/dbraw/zinc/17/29/67/206172967.db2.gz	JGQNTWJEJXJSPX-WDZFZDKYSA-N	-1	0	373.433	1.504	50	10		FDCARM
O=C(CN1C(=O)c2ccccc2C1=O)NCc1cc([N+](=O)[O-])ccc1[O-]	ZINC000035310483	519603409	/nfs/dbraw/zinc/60/34/09/519603409.db2.gz	NFUMFERXBAEJGE-UHFFFAOYSA-N	-1	0	355.306	1.213	50	10		FDCARM
COc1ccc(S(=O)(=O)Nc2ccc(O)c(C(=O)[O-])c2)cc1[N+](=O)[O-]	ZINC000035685979	204347965	/nfs/dbraw/zinc/34/79/65/204347965.db2.gz	CNJQWYNBQGLTIX-UHFFFAOYSA-N	-1	0	368.323	1.808	50	10		FDCARM
Cc1cc(/C=C2\C(=O)[N-]C(=O)N(C)C2=O)c(C)n1-c1ccc2c(c1)OCO2	ZINC000013371819	204529609	/nfs/dbraw/zinc/52/96/09/204529609.db2.gz	KTKAJJLUVLAJLW-VGOFMYFVSA-N	-1	0	367.361	1.914	50	10		FDCARM
Cc1ccc(N2C(=O)[N-]C(=O)C(=CNCC[NH+]3CCCCC3)C2=O)cc1C	ZINC000101038774	132233463	/nfs/dbraw/zinc/23/34/63/132233463.db2.gz	ZWEQXCHABREFHP-GHRIWEEISA-N	-1	0	370.453	1.846	50	10		FDCARM
O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)C1=CNCCCn1ccnc1	ZINC000006423850	518370873	/nfs/dbraw/zinc/37/08/73/518370873.db2.gz	MHVVZFTYVRBPHG-GXDHUFHOSA-N	-1	0	373.800	1.683	50	10		FDCARM
CC(=O)[C@@H]1[C@H](c2cc([N+](=O)[O-])ccc2[O-])NC(=O)N[C@@]1(O)C(F)(F)F	ZINC000012377536	518608099	/nfs/dbraw/zinc/60/80/99/518608099.db2.gz	WTHPTSFYYHZJHZ-SCVCMEIPSA-N	-1	0	363.248	1.110	50	10		FDCARM
CC1=NN(c2ccc(C)cc2C)C(=O)C1=Cc1c(=O)[nH]c(=O)n(C)c1[O-]	ZINC000075260726	522897338	/nfs/dbraw/zinc/89/73/38/522897338.db2.gz	ADJKPLRJRDGUGQ-WQLSENKSSA-N	-1	0	354.366	1.202	50	10		FDCARM
CNC(=O)CN1c2ccccc2C(=O)N(C)[C@@H]1c1cc([N+](=O)[O-])ccc1[O-]	ZINC000045822075	570912443	/nfs/dbraw/zinc/91/24/43/570912443.db2.gz	GGQZGPRRZIEVFT-KRWDZBQOSA-N	-1	0	370.365	1.637	50	10		FDCARM
CCc1c2c(cc(=O)n1CCOC)[n-]n(-c1nc3ccccc3s1)c2=O	ZINC000669638591	571197751	/nfs/dbraw/zinc/19/77/51/571197751.db2.gz	YGXAYPWLSCJZRQ-UHFFFAOYSA-O	-1	0	371.442	1.364	50	10		FDCARM
COC(=O)[C@]([N-]S(C)(=O)=O)(c1ccc(N(C)C)cc1)C(F)(F)F	ZINC000002503865	204042693	/nfs/dbraw/zinc/04/26/93/204042693.db2.gz	RCZCBQCJARRDQB-GFCCVEGCSA-N	-1	0	354.350	1.232	50	10		FDCARM
CCCOc1ccc(C=C2C(=O)[N-]C(=O)NC2=O)cc1Br	ZINC000004093715	204120517	/nfs/dbraw/zinc/12/05/17/204120517.db2.gz	VOXQGKKZBJXAPS-UHFFFAOYSA-N	-1	0	353.172	1.987	50	10		FDCARM
CN1C(=O)C(=Cc2ccc(-c3cc([N+](=O)[O-])ccc3[O-])o2)C(=O)N(C)C1=O	ZINC000005648707	204219058	/nfs/dbraw/zinc/21/90/58/204219058.db2.gz	ZQLWTUPDTOKSBA-UHFFFAOYSA-N	-1	0	371.305	1.994	50	10		FDCARM
COC(=O)C1=C(O)C(=O)C2=C([O-])c3c(OC)ccc(Cl)c3C[C@@H]2C1	ZINC000101172404	525218134	/nfs/dbraw/zinc/21/81/34/525218134.db2.gz	HVDXWBNWZWSVDJ-JWKOBGCHSA-N	-1	0	350.754	1.651	50	10		FDCARM
CN1C(=O)C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3[O-])o2)C(=O)N(C)C1=O	ZINC000003668214	204110242	/nfs/dbraw/zinc/11/02/42/204110242.db2.gz	MEJFWHLPXSNJPG-UHFFFAOYSA-N	-1	0	371.305	1.994	50	10		FDCARM
O=C1[N-]C(=S)N(c2cccc(Cl)c2)C(=O)/C1=C\NN1CCCCC1	ZINC000019994449	132894036	/nfs/dbraw/zinc/89/40/36/132894036.db2.gz	SVAYLUMOADSFRM-RAXLEYEMSA-N	-1	0	364.858	1.962	50	10		FDCARM
O=C1[N-]C(=S)N(c2ccccc2F)C(=O)C1=CNCCCn1ccnc1	ZINC000006382981	518370893	/nfs/dbraw/zinc/37/08/93/518370893.db2.gz	RIAFFIOGXTXVRG-ZRDIBKRKSA-N	-1	0	373.413	1.334	50	10		FDCARM
O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cc2c(cc1[N+](=O)[O-])OCO2	ZINC000023634166	518959310	/nfs/dbraw/zinc/95/93/10/518959310.db2.gz	NKCHRMKAKZGVLU-SDQBBNPISA-N	-1	0	353.290	1.785	50	10		FDCARM
Cn1c(=O)n(C)c2cc(/C=C3\SC(=S)N(CC(=O)[O-])C3=O)ccc21	ZINC000104982002	570865383	/nfs/dbraw/zinc/86/53/83/570865383.db2.gz	AQPXMMYENBBVPG-WDZFZDKYSA-N	-1	0	363.420	1.163	50	10		FDCARM
COc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc([N+](=O)[O-])o3)C2=O)c1	ZINC000005043783	806838555	/nfs/dbraw/zinc/83/85/55/806838555.db2.gz	DZJODUKGBWATLJ-WQLSENKSSA-N	-1	0	357.278	1.863	50	10		FDCARM
CC(=O)Nc1ccc(NC=C2C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc1	ZINC000002300130	204032563	/nfs/dbraw/zinc/03/25/63/204032563.db2.gz	VMBOTZDBDOQIBW-DHDCSXOGSA-N	-1	0	368.349	1.812	50	10		FDCARM
CCOc1cc(Br)c(C=C2C(=O)[N-]C(=O)NC2=O)cc1OC	ZINC000001061432	518225297	/nfs/dbraw/zinc/22/52/97/518225297.db2.gz	MJAZBGRVTFWKHC-UHFFFAOYSA-N	-1	0	369.171	1.606	50	10		FDCARM
CC(C)Oc1ccc(Br)cc1C=C1C(=O)[N-]C(=O)NC1=O	ZINC000001203228	518229027	/nfs/dbraw/zinc/22/90/27/518229027.db2.gz	ZWOBXPNWQCIKOX-UHFFFAOYSA-N	-1	0	353.172	1.986	50	10		FDCARM
COc1ccc(NNC=C2C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1	ZINC000004831992	518314543	/nfs/dbraw/zinc/31/45/43/518314543.db2.gz	ZKWIHVSJORYROZ-PTNGSMBKSA-N	-1	0	352.350	1.779	50	10		FDCARM
CCOc1ccc(N2C(=O)[N-]C(=O)C(=CNN3CCOCC3)C2=O)cc1	ZINC000006784048	518387007	/nfs/dbraw/zinc/38/70/07/518387007.db2.gz	UPUOVIVSZPGFCC-KAMYIIQDSA-N	-1	0	360.370	1.229	50	10		FDCARM
Cc1[n-]n([C@H]2CCS(=O)(=O)C2)c(=O)c1C=Nc1ccc(F)cc1F	ZINC000101360145	525221863	/nfs/dbraw/zinc/22/18/63/525221863.db2.gz	ATGUGYBYPNUAPW-WBOGTDJTSA-N	-1	0	355.366	1.666	50	10		FDCARM
CCCCN1C(=O)[N-]C(=O)/C(=C\c2c(OC)cc(OC)cc2OC)C1=O	ZINC000002847434	782751023	/nfs/dbraw/zinc/75/10/23/782751023.db2.gz	MKJRBXLXSGBNBK-JLHYYAGUSA-N	-1	0	362.382	1.974	50	10		FDCARM
COC(=O)c1cccc(-n2c(C)cc(C=C3C(=O)[N-]C(=O)NC3=O)c2C)c1	ZINC000001161005	203989771	/nfs/dbraw/zinc/98/97/71/203989771.db2.gz	DHCKFNLHQHDWKX-UHFFFAOYSA-N	-1	0	367.361	1.630	50	10		FDCARM
COc1cc([N+](=O)[O-])cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c1O	ZINC000032099605	519483539	/nfs/dbraw/zinc/48/35/39/519483539.db2.gz	BLTFJZUAEGOQDN-JYRVWZFOSA-N	-1	0	355.306	1.770	50	10		FDCARM
O=C1[N-]C(=S)N(c2ccc(F)cc2)C(=O)C1=CNCCCn1ccnc1	ZINC000019994644	527055997	/nfs/dbraw/zinc/05/59/97/527055997.db2.gz	ZIZKHRYJCKOSBI-GXDHUFHOSA-N	-1	0	373.413	1.334	50	10		FDCARM
O=C(COc1ccc(C=C2C(=O)[N-]C(=O)NC2=O)cc1)Nc1ccccc1	ZINC000001213305	518229780	/nfs/dbraw/zinc/22/97/80/518229780.db2.gz	SAQXREAMMIWALC-UHFFFAOYSA-N	-1	0	365.345	1.454	50	10		FDCARM
CC(C)(C)c1cc(NC=C2C(=O)[N-]C(=O)NC2=O)n(-c2ccccc2)n1	ZINC000006906312	518391797	/nfs/dbraw/zinc/39/17/97/518391797.db2.gz	SVOKABIUAIGVCL-UHFFFAOYSA-N	-1	0	353.382	1.832	50	10		FDCARM
Cc1ccc(C(=O)Oc2cccc(C=C3C(=O)[N-]C(=O)NC3=O)c2)cc1	ZINC000001177980	219385552	/nfs/dbraw/zinc/38/55/52/219385552.db2.gz	IUNYXOVATTWWOP-UHFFFAOYSA-N	-1	0	350.330	1.964	50	10		FDCARM
O=C([O-])CN1C(=O)/C(=C/c2cc3c(cc2[N+](=O)[O-])OCO3)SC1=S	ZINC000002993875	204072948	/nfs/dbraw/zinc/07/29/48/204072948.db2.gz	LPTUNDXTPIBMCN-SGAXSIHGSA-N	-1	0	368.348	1.609	50	10		FDCARM
O=C1[N-]C(=O)N(CCc2ccc(F)cc2)C(=O)C1=CNN1CCOCC1	ZINC000009008428	204351554	/nfs/dbraw/zinc/35/15/54/204351554.db2.gz	HWCLMGBSQTZFTR-KAMYIIQDSA-N	-1	0	362.361	1.008	50	10		FDCARM
COc1cc(NC=C2SC(=S)N(CC(=O)[O-])C2=O)cc(OC)c1	ZINC000004271605	206173263	/nfs/dbraw/zinc/17/32/63/206173263.db2.gz	YAGWDPOTOUAJPP-WDZFZDKYSA-N	-1	0	354.409	1.902	50	10		FDCARM
COc1ccc(/C=C2\SC(=S)N(CC(=O)[O-])C2=O)c(OC)c1OC	ZINC000033347261	519586622	/nfs/dbraw/zinc/58/66/22/519586622.db2.gz	UEVAZVJXPNJEJR-POHAHGRESA-N	-1	0	369.420	1.998	50	10		FDCARM
CCOC(=O)C(N=Nc1ccc(S(=O)(=O)[N-]C(C)=O)cc1)C(C)=O	ZINC000111479277	570932812	/nfs/dbraw/zinc/93/28/12/570932812.db2.gz	GVBYNWWXIIRMAG-YOXRYGNQSA-N	-1	0	355.372	1.948	50	10		FDCARM
CN(C)c1ncc(/C=C2/C(=O)[N-]C(=O)N(CCc3ccccc3)C2=O)cn1	ZINC000001115857	1015422819	/nfs/dbraw/zinc/42/28/19/1015422819.db2.gz	XQUFKOJUVYMUAO-GDNBJRDFSA-N	-1	0	365.393	1.247	50	10		FDCARM
CC1(C)OC(=O)C(=CN[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])C(=O)O1	ZINC000100751458	209217162	/nfs/dbraw/zinc/21/71/62/209217162.db2.gz	JSARFABLBROKSR-AWEZNQCLSA-N	-1	0	358.350	1.473	50	10		FDCARM
CN1C(=O)C(=Cc2ccc(OCC(=O)[O-])c(Cl)c2)C(=O)N(C)C1=S	ZINC000004723768	207042146	/nfs/dbraw/zinc/04/21/46/207042146.db2.gz	UEWGMRSZFKKQHZ-UHFFFAOYSA-N	-1	0	368.798	1.402	50	10		FDCARM
COc1cc(CNC=C2C(=O)[N-]C(=O)N(C(C)(C)C)C2=O)cc(OC)c1	ZINC000005624961	207109036	/nfs/dbraw/zinc/10/90/36/207109036.db2.gz	DZHAFHVUAXNQSU-UVTDQMKNSA-N	-1	0	361.398	1.554	50	10		FDCARM
O=C1[N-]C(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C/NN1CCCCCC1	ZINC000009332025	207267595	/nfs/dbraw/zinc/26/75/95/207267595.db2.gz	LBTUGQDUXGPJDE-RVDMUPIBSA-N	-1	0	360.389	1.669	50	10		FDCARM
CCN1C(=O)[N-]C(=O)/C(=C\c2cn(CC(=O)OC)c3ccccc23)C1=O	ZINC000000665142	518216191	/nfs/dbraw/zinc/21/61/91/518216191.db2.gz	KMKVNULCQCQMCY-MDWZMJQESA-N	-1	0	355.350	1.296	50	10		FDCARM
CC1(C)OC(=O)C(=CN[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])C(=O)O1	ZINC000001017508	518225283	/nfs/dbraw/zinc/22/52/83/518225283.db2.gz	JSARFABLBROKSR-CQSZACIVSA-N	-1	0	358.350	1.473	50	10		FDCARM
COc1cc(OC)c(C=C2C(=O)[N-]C(=O)NC2=O)cc1Br	ZINC000001178959	518228509	/nfs/dbraw/zinc/22/85/09/518228509.db2.gz	VWKRJRSFCXZQID-UHFFFAOYSA-N	-1	0	355.144	1.216	50	10		FDCARM
O=C([O-])CC1(CNC=C2C(=O)NC(=S)N(C3CC3)C2=O)CCCCC1	ZINC000020622048	518855409	/nfs/dbraw/zinc/85/54/09/518855409.db2.gz	MDSIWXQNAFQMRO-XFXZXTDPSA-N	-1	0	365.455	1.291	50	10		FDCARM
CCN(CC)c1ccc([C@@H]2CC(c3c([O-])n(C)c(=O)n(C)c3=O)=NN2)cc1	ZINC000101761623	209229453	/nfs/dbraw/zinc/22/94/53/209229453.db2.gz	YZXTUEZLWHSWGG-AWEZNQCLSA-N	-1	0	371.441	1.075	50	10		FDCARM
CN(C)S(=O)(=O)c1ccc(N=Cc2c(=O)[nH][n-]c2C(F)(F)F)cc1	ZINC000100257853	209211273	/nfs/dbraw/zinc/21/12/73/209211273.db2.gz	UPQFICZORDZTNF-YFHOEESVSA-N	-1	0	362.333	1.281	50	10		FDCARM
CCOC(=O)c1ccc(-c2ccc(C=C3C(=O)[N-]C(=O)NC3=O)o2)cc1	ZINC000009331130	207266762	/nfs/dbraw/zinc/26/67/62/207266762.db2.gz	FLVACXWREHOXCD-UHFFFAOYSA-N	-1	0	354.318	1.873	50	10		FDCARM
CC(=O)[C@@H]1[C@@H](c2cc([N+](=O)[O-])ccc2[O-])NC(=O)N[C@]1(O)C(F)(F)F	ZINC000036056791	208142788	/nfs/dbraw/zinc/14/27/88/208142788.db2.gz	WTHPTSFYYHZJHZ-CKYFFXLPSA-N	-1	0	363.248	1.110	50	10		FDCARM
CN(C)c1ccc(-n2cccc2/C=C2\C(=O)NC(=S)N(C)C2=O)cc1	ZINC000000980518	518223859	/nfs/dbraw/zinc/22/38/59/518223859.db2.gz	KTWNKRKKHKOXHA-RVDMUPIBSA-N	-1	0	354.435	1.800	50	10		FDCARM
O=C1[N-]C(=O)C(=Cc2cc(Br)c(Br)o2)C(=O)N1	ZINC000000999236	518226123	/nfs/dbraw/zinc/22/61/23/518226123.db2.gz	VDTHZLBGOYWPAT-UHFFFAOYSA-N	-1	0	363.949	1.554	50	10		FDCARM
O=C(COc1cccc(C=C2C(=O)[N-]C(=O)NC2=O)c1)Nc1ccccc1	ZINC000001103964	518227632	/nfs/dbraw/zinc/22/76/32/518227632.db2.gz	MQFSNEZGVJVNAN-UHFFFAOYSA-N	-1	0	365.345	1.454	50	10		FDCARM
Cc1ccc(C(=O)Oc2ccccc2C=C2C(=O)[N-]C(=O)NC2=O)cc1	ZINC000001177943	518229259	/nfs/dbraw/zinc/22/92/59/518229259.db2.gz	IHSHIBYGISSTKF-UHFFFAOYSA-N	-1	0	350.330	1.964	50	10		FDCARM
CCN1C(=O)[N-]C(=O)/C(=C/c2cn(CC(=O)OC)c3ccccc23)C1=O	ZINC000005781472	518355732	/nfs/dbraw/zinc/35/57/32/518355732.db2.gz	KMKVNULCQCQMCY-JYRVWZFOSA-N	-1	0	355.350	1.296	50	10		FDCARM
O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(O)=C1SC(=S)[N-]C1=O	ZINC000105821558	525540129	/nfs/dbraw/zinc/54/01/29/525540129.db2.gz	WNOYCQAGTKSGQA-QMMMGPOBSA-N	-1	0	359.772	1.272	50	10		FDCARM
COc1cccc(N2C(=O)[N-]C(=O)C(=CNCCCn3ccnc3)C2=O)c1	ZINC000020023853	526139723	/nfs/dbraw/zinc/13/97/23/526139723.db2.gz	USJQEWSZZHZVRT-RVDMUPIBSA-N	-1	0	369.381	1.038	50	10		FDCARM
CC(=O)N1NC(=C2C(=O)[N-]C(=O)N(C)C2=O)C[C@@H]1c1ccc(N(C)C)cc1	ZINC000008914603	207251096	/nfs/dbraw/zinc/25/10/96/207251096.db2.gz	LTBCJJDMBOVDQG-JNINTMOKSA-N	-1	0	371.397	1.353	50	10		FDCARM
O=C1[N-]C(=O)N(CCc2ccc(F)cc2)C(=O)/C1=C/NN1CCCCC1	ZINC000009332059	207267312	/nfs/dbraw/zinc/26/73/12/207267312.db2.gz	DTCQCEUEOSVEMT-NTCAYCPXSA-N	-1	0	360.389	1.321	50	10		FDCARM
COc1ccc(CCN2C(=O)[N-]C(=O)C(=Cc3ccc[nH]3)C2=O)cc1OC	ZINC000034239810	208102732	/nfs/dbraw/zinc/10/27/32/208102732.db2.gz	USAHPHJTNMCDER-SDNWHVSQSA-N	-1	0	369.377	1.941	50	10		FDCARM
CC(=O)[C@@H]1[C@H](c2cc([N+](=O)[O-])ccc2[O-])NC(=O)N[C@]1(O)C(F)(F)F	ZINC000034633921	208104620	/nfs/dbraw/zinc/10/46/20/208104620.db2.gz	WTHPTSFYYHZJHZ-JFGNBEQYSA-N	-1	0	363.248	1.110	50	10		FDCARM
Cc1[n-]n(-c2ccccc2)c(=O)c1C=C1C(=O)N(C)C(=S)N(C)C1=O	ZINC000001172664	518229068	/nfs/dbraw/zinc/22/90/68/518229068.db2.gz	GRFZWGXSQUCKRK-LBPRGKRZSA-N	-1	0	356.407	1.167	50	10		FDCARM
O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C\c1ccc([N+](=O)[O-])o1	ZINC000013546461	518661203	/nfs/dbraw/zinc/66/12/03/518661203.db2.gz	LLSUSLDISUBZKB-POHAHGRESA-N	-1	0	371.261	1.583	50	10		FDCARM
CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(C)C2=O)cc(Br)c1O	ZINC000015010459	518704428	/nfs/dbraw/zinc/70/44/28/518704428.db2.gz	SDJORMSGFIXELR-YWEYNIOJSA-N	-1	0	369.171	1.645	50	10		FDCARM
CCOC(=O)c1ccc(N2[N-]C(=O)/C(=C/c3ccc(O)c(O)c3)C2=O)cc1	ZINC000015228371	518714369	/nfs/dbraw/zinc/71/43/69/518714369.db2.gz	PLHZKCKNCUXHNJ-ZROIWOOFSA-N	-1	0	368.345	1.736	50	10		FDCARM
COCCN1C(=O)[N-]C(=O)/C(=C\c2ccc(Br)cc2)C1=O	ZINC000006180161	207132052	/nfs/dbraw/zinc/13/20/52/207132052.db2.gz	OVDJUOHVBGJAJZ-DHZHZOJOSA-N	-1	0	353.172	1.557	50	10		FDCARM
O=C(COc1ccccc1C=C1C(=O)[N-]C(=O)NC1=O)Nc1ccccc1	ZINC000001140195	518226715	/nfs/dbraw/zinc/22/67/15/518226715.db2.gz	LRQXYZSMNQVGAD-UHFFFAOYSA-N	-1	0	365.345	1.454	50	10		FDCARM
O=C(Oc1ccc(C=C2C(=O)[N-]C(=O)NC2=O)cc1Cl)c1ccco1	ZINC000001117466	518227127	/nfs/dbraw/zinc/22/71/27/518227127.db2.gz	FCGPQGBWTHGWIB-UHFFFAOYSA-N	-1	0	360.709	1.902	50	10		FDCARM
COc1ccc(N2CCOCC2)cc1NC(=O)c1nccnc1C(=O)[O-]	ZINC000072400580	536706585	/nfs/dbraw/zinc/70/65/85/536706585.db2.gz	RCRCNNUIZRZPDA-UHFFFAOYSA-N	-1	0	358.354	1.272	50	10		FDCARM
COc1cc(Br)c(C=C2C(=O)NC(=S)NC2=O)cc1OC	ZINC000000792673	209376177	/nfs/dbraw/zinc/37/61/77/209376177.db2.gz	HKJBMDUNSXIAOF-UHFFFAOYSA-N	-1	0	371.212	1.381	50	10		FDCARM
COc1ccc(CN2C(=O)[N-]C(=O)C(=CNc3cc(C)on3)C2=O)cc1	ZINC000009305629	207264216	/nfs/dbraw/zinc/26/42/16/207264216.db2.gz	UXAMUSWNSNGNQT-JYRVWZFOSA-N	-1	0	356.338	1.566	50	10		FDCARM
O=C(NCc1cc([N+](=O)[O-])ccc1[O-])NCc1cccnc1-n1cccn1	ZINC000043164197	208302786	/nfs/dbraw/zinc/30/27/86/208302786.db2.gz	ZQECFCGWXQRHIQ-UHFFFAOYSA-N	-1	0	368.353	1.881	50	10		FDCARM
CCc1ccc(N2C(=O)[N-]C(=O)C(=CNCCCn3ccnc3)C2=O)cc1	ZINC000020024263	523963350	/nfs/dbraw/zinc/96/33/50/523963350.db2.gz	ZPONRZUIFRUTCF-FOWTUZBSSA-N	-1	0	367.409	1.592	50	10		FDCARM
COC(=O)C1=C(O)C(=O)C2=C([O-])c3c(OC)ccc(Cl)c3C[C@@H]2C1	ZINC000257356402	210004383	/nfs/dbraw/zinc/00/43/83/210004383.db2.gz	HVDXWBNWZWSVDJ-GMEUVTARSA-N	-1	0	350.754	1.651	50	10		FDCARM
NC(=O)COc1ccc(/C=C2/SC(=S)N(CCC(=O)[O-])C2=O)cc1	ZINC000002533697	206919712	/nfs/dbraw/zinc/91/97/12/206919712.db2.gz	YZISTWWINKHFKO-YRNVUSSQSA-N	-1	0	366.420	1.227	50	10		FDCARM
Nc1[n-]n2c(nc3c(c2=O)CCC3)c1N=Nc1ccc(S(N)(=O)=O)cc1	ZINC000008453278	207233883	/nfs/dbraw/zinc/23/38/83/207233883.db2.gz	TURBHLFHANHBSP-FMQUCBEESA-N	-1	0	373.398	1.156	50	10		FDCARM
COc1ccc(C(=O)Oc2ccc(C=C3C(=O)[N-]C(=O)NC3=O)cc2)cc1	ZINC000001216255	518229599	/nfs/dbraw/zinc/22/95/99/518229599.db2.gz	SNXDKNHJGVOXHB-UHFFFAOYSA-N	-1	0	366.329	1.664	50	10		FDCARM
COc1ccc(/C=C2/C(=O)[N-]C(=O)N(C(C)(C)C)C2=O)c(OC)c1OC	ZINC000013775575	518667515	/nfs/dbraw/zinc/66/75/15/518667515.db2.gz	CPZGDNOHKJWQIO-LUAWRHEFSA-N	-1	0	362.382	1.973	50	10		FDCARM
CCN1C(=O)[N-]C(=O)C(=Cc2ccc(N3CCOCC3)cc2OC)C1=O	ZINC000000665133	521511068	/nfs/dbraw/zinc/51/10/68/521511068.db2.gz	NUQGPMYNBARFFE-GXDHUFHOSA-N	-1	0	359.382	1.218	50	10		FDCARM
Cc1ccccc1N1C(=O)[N-]C(=O)C(=CNCCCn2ccnc2)C1=O	ZINC000100104009	132232219	/nfs/dbraw/zinc/23/22/19/132232219.db2.gz	AUNOHUNGSUJHRO-SDNWHVSQSA-N	-1	0	353.382	1.338	50	10		FDCARM
O=C([O-])[C@@H](Cc1ccc(O)c(O)c1)OC(=O)/C=C/c1ccc(O)c(O)c1	ZINC000000899870	518223758	/nfs/dbraw/zinc/22/37/58/518223758.db2.gz	DOUMFZQKYFQNTF-WUTVXBCWSA-N	-1	0	360.318	1.761	50	10	aggregator,endogenous,in-man	FDCARM
CN1C(=O)C(=Cc2ccc(OCC(=O)[O-])c(Cl)c2)C(=O)N(C)C1=O	ZINC000002971505	518256312	/nfs/dbraw/zinc/25/63/12/518256312.db2.gz	GTECWSBFSYFJJM-UHFFFAOYSA-N	-1	0	352.730	1.237	50	10		FDCARM
O=C(NCc1ccc(N2CCNC(=O)C2)cc1)c1ccc([O-])c(Cl)c1	ZINC000031421362	519436319	/nfs/dbraw/zinc/43/63/19/519436319.db2.gz	LOJUVVNVZMEGFO-UHFFFAOYSA-N	-1	0	359.813	1.912	50	10		FDCARM
Cc1ccc(N2C(=O)[N-]C(=O)C(=CNCCCn3ccnc3)C2=O)cc1	ZINC000019995836	524927099	/nfs/dbraw/zinc/92/70/99/524927099.db2.gz	YFVZPBJRGWEKCL-RVDMUPIBSA-N	-1	0	353.382	1.338	50	10		FDCARM
CN(C)c1ncc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cn1	ZINC000001122040	783625877	/nfs/dbraw/zinc/62/58/77/783625877.db2.gz	CXCKCNDCNPXREJ-YRNVUSSQSA-N	-1	0	371.397	1.513	50	10		FDCARM
COc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cnc(SC)nc3)C2=O)c1	ZINC000004754695	805095179	/nfs/dbraw/zinc/09/51/79/805095179.db2.gz	ZCACFTWOZBPAAF-MLPAPPSSSA-N	-1	0	370.390	1.874	50	10		FDCARM
O=C([O-])[C@@H](NCC[NH2+][C@H](C(=O)[O-])c1ccccc1O)c1ccccc1O	ZINC000019369276	211218800	/nfs/dbraw/zinc/21/88/00/211218800.db2.gz	PZZHMLOHNYWKIK-HOTGVXAUSA-N	-1	0	360.366	1.229	50	10	in-vitro	FDCARM
CN1C(=O)C(=Cc2cn(CC(=O)[O-])c3ccccc23)C(=O)N(C)C1=S	ZINC000002264032	210386681	/nfs/dbraw/zinc/38/66/81/210386681.db2.gz	FIGCZVXHWQVSJI-UHFFFAOYSA-N	-1	0	357.391	1.325	50	10		FDCARM
O=C1[N-]C(=O)N(Cc2ccccc2)C(=O)C1=CNCCCn1ccnc1	ZINC000102450773	222296184	/nfs/dbraw/zinc/29/61/84/222296184.db2.gz	PWNVPKADMFVWRW-PTNGSMBKSA-N	-1	0	353.382	1.025	50	10		FDCARM
O=C1[N-]C(=S)N(c2ccc(Cl)cc2)C(=O)C1=CNN1CCOCC1	ZINC000017147394	518778362	/nfs/dbraw/zinc/77/83/62/518778362.db2.gz	NREMPBPZPPMNHZ-XFXZXTDPSA-N	-1	0	366.830	1.649	50	10		FDCARM
CN1C(=O)/C(=C/c2ccc(-c3ccccc3C(=O)[O-])o2)C(=O)NC1=S	ZINC000002265226	210386248	/nfs/dbraw/zinc/38/62/48/210386248.db2.gz	MNEIOLMUJVJYMT-XYOKQWHBSA-N	-1	0	356.359	1.901	50	10		FDCARM
O=C1[N-]C(=O)N(C2CCCC2)C(=O)/C1=C\c1ccc(N2CCOCC2)cc1	ZINC000004740079	518310758	/nfs/dbraw/zinc/31/07/58/518310758.db2.gz	IEWLAVSVOYWWAY-LGMDPLHJSA-N	-1	0	369.421	1.928	50	10		FDCARM
COc1ccc(CN2C(=O)[N-]C(=O)C(=CNN3CCCCC3)C2=O)cc1	ZINC000009301834	518501733	/nfs/dbraw/zinc/50/17/33/518501733.db2.gz	DXJUCGIUXQMZDY-PTNGSMBKSA-N	-1	0	358.398	1.988	50	10		FDCARM
O=C([O-])CCNS(=O)(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O	ZINC000010435047	518537465	/nfs/dbraw/zinc/53/74/65/518537465.db2.gz	HNPANDJOOXXJPT-UHFFFAOYSA-N	-1	0	359.359	1.215	50	10		FDCARM
COc1ccc(OC)c(CN2C(=O)[N-]C(=O)/C(=C\c3ccc[nH]3)C2=O)c1	ZINC000100588330	772688153	/nfs/dbraw/zinc/68/81/53/772688153.db2.gz	DXKMAKLLXYXHTA-NTEUORMPSA-N	-1	0	355.350	1.694	50	10		FDCARM
CN(C)c1ncc(/C=C2/C(=O)[N-]C(=O)N(CCC3=CCCCC3)C2=O)cn1	ZINC000001138536	1015430985	/nfs/dbraw/zinc/43/09/85/1015430985.db2.gz	AZDODCSWSZVLIP-GDNBJRDFSA-N	-1	0	369.425	1.895	50	10		FDCARM
O=C([O-])COc1ccc(/C=C2\C(=O)[N-]C(=O)N(C3CCCCC3)C2=O)cc1	ZINC000002280669	210388451	/nfs/dbraw/zinc/38/84/51/210388451.db2.gz	GCVIRKUXVLVWNL-XNTDXEJSSA-N	-1	0	372.377	1.945	50	10		FDCARM
CC(=O)Nc1ccc(NC=C2C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc1	ZINC000100571261	222248114	/nfs/dbraw/zinc/24/81/14/222248114.db2.gz	VMBOTZDBDOQIBW-OQLLNIDSSA-N	-1	0	368.349	1.812	50	10		FDCARM
CC(C)c1ccc(N2C(=O)[N-]C(=O)C(=CNN3CCOCC3)C2=O)cc1	ZINC000006782278	518387040	/nfs/dbraw/zinc/38/70/40/518387040.db2.gz	QEBCITFBOLDADP-PTNGSMBKSA-N	-1	0	358.398	1.954	50	10		FDCARM
COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(O)cc3)C2=O)cc1	ZINC000001177201	536729486	/nfs/dbraw/zinc/72/94/86/536729486.db2.gz	NBVZUKXYZDHJRT-XNTDXEJSSA-N	-1	0	366.329	1.845	50	10		FDCARM
O=C1[N-]C(=O)C(=Cc2ccc(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)o2)C(=O)N1	ZINC000013615112	211045099	/nfs/dbraw/zinc/04/50/99/211045099.db2.gz	BTWUYZBMRFPLDA-UHFFFAOYSA-N	-1	0	372.249	1.512	50	10		FDCARM
COc1ccccc1/C=C1\SC(=S)N(CCS(=O)(=O)[O-])C1=O	ZINC000004291522	518292621	/nfs/dbraw/zinc/29/26/21/518292621.db2.gz	RGMXCMWYQZVAEJ-FLIBITNWSA-N	-1	0	359.450	1.784	50	10		FDCARM
COc1ccc(C(=O)Oc2cccc(C=C3C(=O)[N-]C(=O)NC3=O)c2)cc1	ZINC000001170602	523773964	/nfs/dbraw/zinc/77/39/64/523773964.db2.gz	HZQFXRMJAOLQNM-UHFFFAOYSA-N	-1	0	366.329	1.664	50	10		FDCARM
CCCCN1C(=O)[N-]C(=O)C(=CNc2ccc(N(CC)CCO)cc2)C1=O	ZINC000017195361	211181355	/nfs/dbraw/zinc/18/13/55/211181355.db2.gz	PLPBFIWRPZDIHJ-SSZFMOIBSA-N	-1	0	374.441	1.680	50	10		FDCARM
COc1cc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)cc(OC)c1OC	ZINC000000966996	210297770	/nfs/dbraw/zinc/29/77/70/210297770.db2.gz	IEGUKUKYZRIVQB-IZZDOVSWSA-N	-1	0	369.420	1.998	50	10		FDCARM
C=C(c1ccc(O)cc1)C1SC(=S)N(CCS(=O)(=O)[O-])C1=O	ZINC000005372371	518343109	/nfs/dbraw/zinc/34/31/09/518343109.db2.gz	BLJDLRBFPXDDMJ-DHZHZOJOSA-N	-1	0	359.450	1.871	50	10		FDCARM
COc1ccccc1N1C(=O)[N-]C(=O)C(=CNCCCn2ccnc2)C1=O	ZINC000005988186	518360620	/nfs/dbraw/zinc/36/06/20/518360620.db2.gz	KJMJTPBDIJWQJO-ACCUITESSA-N	-1	0	369.381	1.038	50	10		FDCARM
O=C1[N-]C(=O)N(CCc2ccc(F)cc2)C(=O)/C1=C\c1ccc(O)c(O)c1	ZINC000022242112	773988044	/nfs/dbraw/zinc/98/80/44/773988044.db2.gz	ZAHGQXYTIOCLBK-ZROIWOOFSA-N	-1	0	370.336	1.941	50	10		FDCARM
C=C(c1cccc(N)c1)C1SC(=S)N(CCS(=O)(=O)[O-])C1=O	ZINC000005520155	518347595	/nfs/dbraw/zinc/34/75/95/518347595.db2.gz	IIRIXVZDOIHESB-DHZHZOJOSA-N	-1	0	358.466	1.748	50	10		FDCARM
CN1C(=O)C(=Cc2ccc(-c3ccc([O-])c([N+](=O)[O-])c3)o2)C(=O)N(C)C1=O	ZINC000036000011	519614013	/nfs/dbraw/zinc/61/40/13/519614013.db2.gz	AHFFVSJYNATDEO-UHFFFAOYSA-N	-1	0	371.305	1.994	50	10		FDCARM
O=C1[N-]C(=O)N(Cc2ccc(F)cc2)C(=O)C1=CNCCCn1ccnc1	ZINC000020461420	527047611	/nfs/dbraw/zinc/04/76/11/527047611.db2.gz	SVIXFUNJZQCCNZ-XNTDXEJSSA-N	-1	0	371.372	1.164	50	10		FDCARM
O=C1[N-]C(=S)N(c2ccccc2)C(=O)C1=CNCCCn1ccnc1	ZINC000019994601	527057613	/nfs/dbraw/zinc/05/76/13/527057613.db2.gz	IRXOHSJSQXYCFR-SDNWHVSQSA-N	-1	0	355.423	1.195	50	10		FDCARM
Cc1cc(O)c2c(c1)C(=O)c1cc([O-])c(CN3CCOCC3)c(O)c1C2=O	ZINC000020111619	220313641	/nfs/dbraw/zinc/31/36/41/220313641.db2.gz	QVBDDUUMJXGCIF-UHFFFAOYSA-N	-1	0	369.373	1.719	50	10	biogenic	FDCARM
O=C1[N-]C(=O)N(c2ccccc2F)C(=O)C1=CNCCCn1ccnc1	ZINC000095483788	132211831	/nfs/dbraw/zinc/21/18/31/132211831.db2.gz	JUSCVCHRGMNPTL-BENRWUELSA-N	-1	0	357.345	1.169	50	10		FDCARM
O=C1[N-]C(=O)N(Cc2ccco2)C(=O)C1=CNCc1ccc2c(c1)OCO2	ZINC000005635921	518351906	/nfs/dbraw/zinc/35/19/06/518351906.db2.gz	BBOYASSMMCFOSD-MDWZMJQESA-N	-1	0	369.333	1.260	50	10		FDCARM
Cc1ccc(N2C(=O)C(=CNCCCn3ccnc3)C(=O)[N-]C2=S)cc1	ZINC000006420765	518370844	/nfs/dbraw/zinc/37/08/44/518370844.db2.gz	YOZQUTYPKLRCJY-RVDMUPIBSA-N	-1	0	369.450	1.503	50	10		FDCARM
COc1ccc(/C=C2\SC(=S)N(CC(=O)[O-])C2=O)cc1[N+](=O)[O-]	ZINC000023410542	211388918	/nfs/dbraw/zinc/38/89/18/211388918.db2.gz	MJUFWWBHFRBLDO-YHYXMXQVSA-N	-1	0	354.365	1.889	50	10		FDCARM
Cc1cccc(N2C(=O)[N-]C(=O)C(=CNCCCn3ccnc3)C2=O)c1	ZINC000100799188	222254467	/nfs/dbraw/zinc/25/44/67/222254467.db2.gz	JCWSXVWMUUGDNG-RVDMUPIBSA-N	-1	0	353.382	1.338	50	10		FDCARM
COc1cc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)cc2c1OCO2	ZINC000002994104	518256513	/nfs/dbraw/zinc/25/65/13/518256513.db2.gz	UZDDQAHROCGIGG-ONNFQVAWSA-N	-1	0	353.377	1.710	50	10		FDCARM
Cc1ccccc1N1C(=O)C(=CNCCCn2ccnc2)C(=O)[N-]C1=S	ZINC000006161042	518363792	/nfs/dbraw/zinc/36/37/92/518363792.db2.gz	QIMDGNLSZOKMOH-SDNWHVSQSA-N	-1	0	369.450	1.503	50	10		FDCARM
COc1ccc(N2C(=O)C(=CNc3cc(C)on3)C(=O)[N-]C2=S)cc1	ZINC000013550030	518660408	/nfs/dbraw/zinc/66/04/08/518660408.db2.gz	GIZSMJCXDOYLEH-WQLSENKSSA-N	-1	0	358.379	1.735	50	10		FDCARM
COc1cc(/C=C2/SC(N3CCOCC3)=NC2=O)cc([N+](=O)[O-])c1[O-]	ZINC000036237755	519619016	/nfs/dbraw/zinc/61/90/16/519619016.db2.gz	HIMATZATXCWYJL-XYOKQWHBSA-N	-1	0	365.367	1.612	50	10		FDCARM
CC1=NN(c2ccc(C)cc2C)C(=O)C1=Cc1c(=O)[nH]c(=O)n(C)c1[O-]	ZINC000230162040	537578715	/nfs/dbraw/zinc/57/87/15/537578715.db2.gz	ADJKPLRJRDGUGQ-XYOKQWHBSA-N	-1	0	354.366	1.202	50	10		FDCARM
CN1C(=O)[N-]C(=O)/C(=C/c2cc3c(cc2Br)OCO3)C1=O	ZINC000005066640	670518215	/nfs/dbraw/zinc/51/82/15/670518215.db2.gz	XVKTWFTVDCIVAC-UQCOIBPSSA-N	-1	0	353.128	1.269	50	10		FDCARM
COc1cc(C=C2C(=O)[N-]C(=O)NC2=O)cc(Br)c1OC	ZINC000000937444	219342024	/nfs/dbraw/zinc/34/20/24/219342024.db2.gz	WNLNUGNFKPORBM-UHFFFAOYSA-N	-1	0	355.144	1.216	50	10		FDCARM
COCCCN1C(=O)[N-]C(=O)C(=CNc2ccc3oc(=O)ccc3c2)C1=O	ZINC000009344355	518504689	/nfs/dbraw/zinc/50/46/89/518504689.db2.gz	WJUGUDMAWRUWFD-RAXLEYEMSA-N	-1	0	371.349	1.204	50	10		FDCARM
O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)C1=CNCCCn1ccnc1	ZINC000020023519	527047675	/nfs/dbraw/zinc/04/76/75/527047675.db2.gz	QOSZHVKOBSWSNK-UVTDQMKNSA-N	-1	0	373.800	1.683	50	10		FDCARM
O=C1[N-]C(=O)C(=Cc2cccn2-c2ccc(Br)cc2)C(=O)N1	ZINC000001173211	518229951	/nfs/dbraw/zinc/22/99/51/518229951.db2.gz	KZWPBHNYUQQGIQ-UHFFFAOYSA-N	-1	0	360.167	1.989	50	10		FDCARM
C[C@H](C(=O)[O-])n1ccc2cc(C=C3C(=O)N(C)C(=O)N(C)C3=O)ccc21	ZINC000004703704	518308511	/nfs/dbraw/zinc/30/85/11/518308511.db2.gz	KZUFZRDDLAQZON-SNVBAGLBSA-N	-1	0	355.350	1.721	50	10		FDCARM
O=C1[N-]C(=O)N(c2cccc3ccccc32)C(=O)C1=CNN1CCOCC1	ZINC000009071709	518497331	/nfs/dbraw/zinc/49/73/31/518497331.db2.gz	SAWAATCXKXZXMD-QINSGFPZSA-N	-1	0	366.377	1.984	50	10		FDCARM
O=C1[N-]C(=O)N(CCc2ccc(F)cc2)C(=O)/C1=C\NN1CCCCC1	ZINC000019950524	220306719	/nfs/dbraw/zinc/30/67/19/220306719.db2.gz	DTCQCEUEOSVEMT-QINSGFPZSA-N	-1	0	360.389	1.321	50	10		FDCARM
COc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(O)c(O)c2)C1=O	ZINC000001225795	1015540233	/nfs/dbraw/zinc/54/02/33/1015540233.db2.gz	VHUYBFBYBRLRTE-DHZHZOJOSA-N	-1	0	354.318	1.773	50	10		FDCARM
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(C)C2=O)cc(Br)c1O	ZINC000001203148	219388396	/nfs/dbraw/zinc/38/83/96/219388396.db2.gz	SDJORMSGFIXELR-XBXARRHUSA-N	-1	0	369.171	1.645	50	10		FDCARM
O=C([O-])CCCNS(=O)(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O	ZINC000010435043	219902290	/nfs/dbraw/zinc/90/22/90/219902290.db2.gz	HBJLIXSUMXKMBY-UHFFFAOYSA-N	-1	0	373.386	1.605	50	10		FDCARM
O=S(=O)([N-]c1ccccc1N1CCOCC1)c1cccc2nonc21	ZINC000001033560	132379649	/nfs/dbraw/zinc/37/96/49/132379649.db2.gz	WEWLSDXDFARTRO-UHFFFAOYSA-N	-1	0	360.395	1.860	50	10		FDCARM
O=C1[N-]C(=O)N(CCC2=CCCCC2)C(=O)C1=CNCC[NH+]1CCCCC1	ZINC000101034105	222260738	/nfs/dbraw/zinc/26/07/38/222260738.db2.gz	YGBIBLSQFAZCRL-BMRADRMJSA-N	-1	0	374.485	1.915	50	10		FDCARM
O=C1[N-]C(=S)N(c2ccccc2Cl)C(=O)C1=CNN1CCOCC1	ZINC000017137676	518778041	/nfs/dbraw/zinc/77/80/41/518778041.db2.gz	WOSKMUSIIJDPIG-KTKRTIGZSA-N	-1	0	366.830	1.649	50	10		FDCARM
O=c1[nH]c2ccc(NC=C3C(=O)[N-]C(=O)N(c4ccccc4)C3=O)cc2[nH]1	ZINC000104222238	570858389	/nfs/dbraw/zinc/85/83/89/570858389.db2.gz	CBVPVHPNKCDROV-FMIVXFBMSA-N	-1	0	363.333	1.435	50	10		FDCARM
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(O)c(O)c3)C2=O)cc1	ZINC000001228509	132381374	/nfs/dbraw/zinc/38/13/74/132381374.db2.gz	RONVJNBVROUIRW-MDWZMJQESA-N	-1	0	354.318	1.773	50	10		FDCARM
COC(=O)C1=C(O)C(=O)C2=C([O-])c3c(OC)ccc(Cl)c3C[C@H]2C1	ZINC000101172399	222265445	/nfs/dbraw/zinc/26/54/45/222265445.db2.gz	HVDXWBNWZWSVDJ-LPBBDHJYSA-N	-1	0	350.754	1.651	50	10		FDCARM
O=C1[N-]C(=O)C(=Cc2ccccc2OCCOc2ccccc2)C(=O)N1	ZINC000004182127	518287872	/nfs/dbraw/zinc/28/78/72/518287872.db2.gz	ZBHGABGYXVCYRK-UHFFFAOYSA-N	-1	0	352.346	1.894	50	10		FDCARM
CN1C(=O)C(=Cc2cccn2-c2ccc(C(=O)[O-])cc2)C(=O)N(C)C1=O	ZINC000004739432	518310987	/nfs/dbraw/zinc/31/09/87/518310987.db2.gz	DZNWDUQPSDJJDF-UHFFFAOYSA-N	-1	0	353.334	1.609	50	10		FDCARM
O=C([O-])c1cc(NS(=O)(=O)c2ccc(F)c([N+](=O)[O-])c2)ccc1O	ZINC000226862685	537569517	/nfs/dbraw/zinc/56/95/17/537569517.db2.gz	YILPJVGHBHCKFK-UHFFFAOYSA-N	-1	0	356.287	1.939	50	10		FDCARM
O=C([O-])CNC(=O)CN1C(=O)/C(=C\c2ccc(Cl)cc2)SC1=S	ZINC000013016619	670620180	/nfs/dbraw/zinc/62/01/80/670620180.db2.gz	VGGPZDRNVBJJJJ-BJMVGYQFSA-N	-1	0	370.839	1.742	50	10		FDCARM
CN(C)c1ccc([C@@H]2CC(c3c([O-])n(C)c(=S)n(C)c3=O)=NN2)cc1	ZINC000015834666	220166173	/nfs/dbraw/zinc/16/61/73/220166173.db2.gz	VOBMLAJTNGHMJD-LBPRGKRZSA-N	-1	0	359.455	1.664	50	10		FDCARM
Cn1c2ccc([N-]S(=O)(=O)c3cccc4nsnc43)cc2oc1=O	ZINC000015864793	220169578	/nfs/dbraw/zinc/16/95/78/220169578.db2.gz	GBHKMORJQLPULF-UHFFFAOYSA-N	-1	0	362.392	1.937	50	10		FDCARM
O=C1[N-]C(=O)N(c2ccccc2F)C(=O)C1=CNCCCn1ccnc1	ZINC000006554082	132258623	/nfs/dbraw/zinc/25/86/23/132258623.db2.gz	JUSCVCHRGMNPTL-ZRDIBKRKSA-N	-1	0	357.345	1.169	50	10		FDCARM
COc1ccc(N2C(=O)[N-]C(=O)C(=CNCCCn3ccnc3)C2=O)cc1	ZINC000100798066	222254444	/nfs/dbraw/zinc/25/44/44/222254444.db2.gz	CCUKQRDKNLDDIF-RVDMUPIBSA-N	-1	0	369.381	1.038	50	10		FDCARM
COc1ccc(/C=C2\SC(=S)N(CCS(=O)(=O)[O-])C2=O)cc1	ZINC000002677713	518247927	/nfs/dbraw/zinc/24/79/27/518247927.db2.gz	PROMLQXLWGPZFV-FLIBITNWSA-N	-1	0	359.450	1.784	50	10		FDCARM
C[C@@H]([C@@H](O)c1ccccc1)N(C)N=Nc1nc2c([n-]1)c(=O)n(C)c(=O)n2C	ZINC000004812321	518313668	/nfs/dbraw/zinc/31/36/68/518313668.db2.gz	DKPWRKAANNQCOW-JJIRCQGVSA-N	-1	0	371.401	1.013	50	10		FDCARM
CCCCN1C(=O)[N-]C(=O)C(=CNNC(=S)Nc2ccccc2)C1=O	ZINC000009012240	518495800	/nfs/dbraw/zinc/49/58/00/518495800.db2.gz	JLNWWGGFVZJGBS-ZRDIBKRKSA-N	-1	0	361.427	1.444	50	10		FDCARM
Cc1ccccc1N1C(=O)[N-]C(=O)C(=CNCCCn2ccnc2)C1=O	ZINC000019608239	518822441	/nfs/dbraw/zinc/82/24/41/518822441.db2.gz	AUNOHUNGSUJHRO-KAMYIIQDSA-N	-1	0	353.382	1.338	50	10		FDCARM
Cc1cccc(N2C(=O)[N-]C(=O)C(=CNCCCn3ccnc3)C2=O)c1	ZINC000020025773	524533822	/nfs/dbraw/zinc/53/38/22/524533822.db2.gz	JCWSXVWMUUGDNG-PTNGSMBKSA-N	-1	0	353.382	1.338	50	10		FDCARM
CC(=O)[C@@H]1Cc2c(O)c3c(c(O)c2[C@H](O)C1)C(=O)c1ncc(C)cc1C3=O	ZINC000000721538	219317196	/nfs/dbraw/zinc/31/71/96/219317196.db2.gz	GZHKMLLICGLVCE-BXKDBHETSA-N	-1	0	367.357	1.761	50	10		FDCARM
CCN1C(=O)/C(=C/c2cn(CC(=O)[O-])c3ccccc23)C(=O)NC1=S	ZINC000004675490	518306873	/nfs/dbraw/zinc/30/68/73/518306873.db2.gz	VEERAJBGRCRZIJ-KPKJPENVSA-N	-1	0	357.391	1.373	50	10		FDCARM
CC(=O)N1c2ccccc2/C(=C2/SC(=S)N(CC(=O)[O-])C2=O)C1=O	ZINC000012492396	220000932	/nfs/dbraw/zinc/00/09/32/220000932.db2.gz	NJAPVZDTPJVEJD-QXMHVHEDSA-N	-1	0	362.388	1.236	50	10		FDCARM
Cc1c(N(Cc2ccccc2O)C(=O)c2nn(C)cc2C(=O)[O-])cnn1C	ZINC000020616222	220336014	/nfs/dbraw/zinc/33/60/14/220336014.db2.gz	DGHXADYEQARGFI-UHFFFAOYSA-N	-1	0	369.381	1.713	50	10		FDCARM
O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)C1=Cc1ccc([N+](=O)[O-])o1	ZINC000002323510	132383184	/nfs/dbraw/zinc/38/31/84/132383184.db2.gz	LLSUSLDISUBZKB-UXBLZVDNSA-N	-1	0	371.261	1.787	50	10		FDCARM
NC(=O)COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1	ZINC000004677308	132823793	/nfs/dbraw/zinc/82/37/93/132823793.db2.gz	AMQHMXQILSLHFI-XNTDXEJSSA-N	-1	0	365.345	1.217	50	10		FDCARM
O=C(Oc1cccc(C=C2C(=O)[N-]C(=O)NC2=O)c1)c1cccc(F)c1	ZINC000002774573	518249602	/nfs/dbraw/zinc/24/96/02/518249602.db2.gz	PBTJBCOKLKVSGC-UHFFFAOYSA-N	-1	0	354.293	1.794	50	10		FDCARM
Cc1cccc(N2C(=O)C(=CNCCCn3ccnc3)C(=O)[N-]C2=S)c1	ZINC000020025277	524530956	/nfs/dbraw/zinc/53/09/56/524530956.db2.gz	BNTLIFXLSPSOOC-RVDMUPIBSA-N	-1	0	369.450	1.503	50	10		FDCARM