smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(O)c2c(c1)C(=O)c1cc3c(c(O)c1C2=O)[C@@H](O[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@@H]1OC)C[C@](C)(O)C3	ZINC000004293356	552457012	/nfs/dbraw/zinc/45/70/12/552457012.db2.gz	OLPGXNLHFAJTBC-UWLYPLQBSA-N	0	0	530.526	1.118	40	10		KDCBRN
COc1cc(O)c2c(c1)C(=O)c1cc3c(c(O)c1C2=O)[C@@H](O[C@@H]1O[C@@H](C)[C@H](O)[C@H](O)[C@@H]1OC)C[C@](C)(O)C3	ZINC000004293357	552457000	/nfs/dbraw/zinc/45/70/00/552457000.db2.gz	OLPGXNLHFAJTBC-YEHZAZAOSA-N	0	0	530.526	1.118	40	10		KDCBRN
COc1cc(O)c2c(c1)C(=O)c1cc3c(c(O)c1C2=O)[C@@H](O[C@@H]1O[C@H](C)[C@@H](O)[C@H](O)[C@@H]1OC)C[C@](C)(O)C3	ZINC000004293358	552457020	/nfs/dbraw/zinc/45/70/20/552457020.db2.gz	OLPGXNLHFAJTBC-RUXWFCBASA-N	0	0	530.526	1.118	40	10		KDCBRN
COc1cc(O)c2c(c1)C(=O)c1cc3c(c(O)c1C2=O)[C@@H](O[C@@H]1O[C@@H](C)[C@@H](O)[C@H](O)[C@@H]1OC)C[C@](C)(O)C3	ZINC000004293359	552456991	/nfs/dbraw/zinc/45/69/91/552456991.db2.gz	OLPGXNLHFAJTBC-MOSNIITNSA-N	0	0	530.526	1.118	40	10		KDCBRN
Nc1nc(N)c(N=Nc2ccc(S(=O)(=O)c3ccc(N=Nc4c(N)nc(N)[nH]c4=O)cc3)cc2)c(=O)[nH]1	ZINC000004878906	552488372	/nfs/dbraw/zinc/48/83/72/552488372.db2.gz	UNBYTCZXPDCWTG-JWTBXLROSA-N	0	0	522.511	1.846	40	10		KDCBRN
CCCC(=O)N[C@@H]1C[C@H](O[C@@H]2C[C@](O)(C(C)=O)Cc3c(O)c4c(c(O)c32)C(=O)c2c(OC)cccc2C4=O)O[C@H](C)[C@@H]1O	ZINC000005052405	552493036	/nfs/dbraw/zinc/49/30/36/552493036.db2.gz	CBBJXBKRCWMSIQ-XWAIHGGNSA-N	0	0	597.617	1.987	40	10		KDCBRN
CCCC(=O)N[C@H]1C[C@H](O[C@@H]2C[C@](O)(C(C)=O)Cc3c(O)c4c(c(O)c32)C(=O)c2c(OC)cccc2C4=O)O[C@H](C)[C@@H]1O	ZINC000005052406	552493042	/nfs/dbraw/zinc/49/30/42/552493042.db2.gz	CBBJXBKRCWMSIQ-QCAFEZNYSA-N	0	0	597.617	1.987	40	10		KDCBRN
CCCC(=O)N[C@@H]1C[C@@H](O[C@@H]2C[C@](O)(C(C)=O)Cc3c(O)c4c(c(O)c32)C(=O)c2c(OC)cccc2C4=O)O[C@H](C)[C@@H]1O	ZINC000005052408	552493005	/nfs/dbraw/zinc/49/30/05/552493005.db2.gz	CBBJXBKRCWMSIQ-BMARVOQYSA-N	0	0	597.617	1.987	40	10		KDCBRN
CCCC(=O)N[C@H]1C[C@@H](O[C@@H]2C[C@](O)(C(C)=O)Cc3c(O)c4c(c(O)c32)C(=O)c2c(OC)cccc2C4=O)O[C@H](C)[C@@H]1O	ZINC000005052409	552493066	/nfs/dbraw/zinc/49/30/66/552493066.db2.gz	CBBJXBKRCWMSIQ-PXGNOGGOSA-N	0	0	597.617	1.987	40	10		KDCBRN
CC(=O)OC[C@@H]1O[C@H](N2C(=O)/C(=C(/C)c3ccccn3)SC2=S)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000005389618	552500324	/nfs/dbraw/zinc/50/03/24/552500324.db2.gz	CDBZKFRIEYJRAA-JALDKNSTSA-N	0	0	566.610	1.756	40	10		KDCBRN
CC(=O)OC[C@@H]1O[C@@H](N2C(=O)/C(=C(/C)c3ccccn3)SC2=S)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000005389619	552500591	/nfs/dbraw/zinc/50/05/91/552500591.db2.gz	CDBZKFRIEYJRAA-PLGRZTPGSA-N	0	0	566.610	1.756	40	10		KDCBRN
CC(=O)OC[C@H]1O[C@@H](N2C(=O)/C(=C/c3cccnc3)SC2=S)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000005389622	552500552	/nfs/dbraw/zinc/50/05/52/552500552.db2.gz	JEMZACCXCHZVTH-RUNOBSMMSA-N	0	0	552.583	1.366	40	10		KDCBRN
CC(=O)OC[C@@H]1O[C@@H](N2C(=O)/C(=C/c3cccnc3)SC2=S)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000005389623	552500578	/nfs/dbraw/zinc/50/05/78/552500578.db2.gz	JEMZACCXCHZVTH-GJOQLGRFSA-N	0	0	552.583	1.366	40	10		KDCBRN
CC(=O)OC[C@H]1O[C@@H](N2C(=O)/C(=C/c3ccncc3)SC2=S)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000005389626	552500593	/nfs/dbraw/zinc/50/05/93/552500593.db2.gz	LHWXXWBYLCHBTF-QWYNJRATSA-N	0	0	552.583	1.366	40	10		KDCBRN
CC(=O)OC[C@@H]1O[C@@H](N2C(=O)/C(=C/c3ccncc3)SC2=S)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000005389627	552500563	/nfs/dbraw/zinc/50/05/63/552500563.db2.gz	LHWXXWBYLCHBTF-CYUIXILWSA-N	0	0	552.583	1.366	40	10		KDCBRN
CC(=O)OC[C@@H]1O[C@H](N2C(=O)/C(=C(/C)c3ccncc3)SC2=S)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000005389630	552500561	/nfs/dbraw/zinc/50/05/61/552500561.db2.gz	YFCIHFQEPQULLQ-JALDKNSTSA-N	0	0	566.610	1.756	40	10		KDCBRN
CC(=O)OC[C@@H]1O[C@@H](N2C(=O)/C(=C(/C)c3ccncc3)SC2=S)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000005389631	552500589	/nfs/dbraw/zinc/50/05/89/552500589.db2.gz	YFCIHFQEPQULLQ-PLGRZTPGSA-N	0	0	566.610	1.756	40	10		KDCBRN
CC(=O)OC[C@H]1O[C@@H](N2C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)SC2=S)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000005396006	552500904	/nfs/dbraw/zinc/50/09/04/552500904.db2.gz	PIFZLLZQOSVACN-SXVVZBAKSA-N	0	0	596.592	1.879	40	10		KDCBRN
CC(=O)OC[C@@H]1O[C@@H](N2C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)SC2=S)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000005396007	552500894	/nfs/dbraw/zinc/50/08/94/552500894.db2.gz	PIFZLLZQOSVACN-VXLQEKCDSA-N	0	0	596.592	1.879	40	10		KDCBRN
CC(=O)OC[C@H]1O[C@@H](N2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000005396010	552500875	/nfs/dbraw/zinc/50/08/75/552500875.db2.gz	AMQDJPMOQFQPQJ-YWITXERDSA-N	0	0	595.604	1.700	40	10		KDCBRN
CC(=O)OC[C@@H]1O[C@@H](N2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000005396011	552500883	/nfs/dbraw/zinc/50/08/83/552500883.db2.gz	AMQDJPMOQFQPQJ-SBPLATKUSA-N	0	0	595.604	1.700	40	10		KDCBRN
COc1ccc(OC)c(/C=C2\SC(=S)N([C@@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3OC(C)=O)C2=O)c1	ZINC000005396014	552500918	/nfs/dbraw/zinc/50/09/18/552500918.db2.gz	JQTATGPAKLXPCI-NBSSJLCUSA-N	0	0	611.647	1.988	40	10		KDCBRN
COc1ccc(OC)c(/C=C2\SC(=S)N([C@@H]3O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3OC(C)=O)C2=O)c1	ZINC000005396015	552500857	/nfs/dbraw/zinc/50/08/57/552500857.db2.gz	JQTATGPAKLXPCI-BWXNPLOHSA-N	0	0	611.647	1.988	40	10		KDCBRN
CC(=O)OC[C@@H]1O[C@H](N2C(=O)/C(=C(/C)c3ccco3)SC2=S)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000005396026	552500871	/nfs/dbraw/zinc/50/08/71/552500871.db2.gz	DSEOOPSSKVYEFC-AMEKKTSJSA-N	0	0	555.583	1.954	40	10		KDCBRN
CC(=O)OC[C@@H]1O[C@@H](N2C(=O)/C(=C(/C)c3ccco3)SC2=S)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000005396027	552500881	/nfs/dbraw/zinc/50/08/81/552500881.db2.gz	DSEOOPSSKVYEFC-KGDLGVEXSA-N	0	0	555.583	1.954	40	10		KDCBRN
CC[C@@]1(O)C[C@H](O[C@@H]2C[C@H]([NH+](C)C)[C@H](O)[C@H](C)O2)c2c(O)c3c(cc2[C@@H]1C(=O)OC)C(=O)c1c(O)ccc(O)c1C3=O	ZINC000005430578	552501758	/nfs/dbraw/zinc/50/17/58/552501758.db2.gz	ZJBMQVPEJHVSQA-LJZVQCHGSA-N	0	0	585.606	1.864	40	10		KDCBRN
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@H]3O[C@H]1C[C@@H](O)[C@@H](O)[C@@H](C)O1	ZINC000005493200	552503302	/nfs/dbraw/zinc/50/33/02/552503302.db2.gz	QAFPIRVGDWNCDV-VVVOFHFBSA-N	0	0	528.510	1.063	40	10		KDCBRN
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@H]3O[C@H]1C[C@@H](O)[C@@H](O)[C@H](C)O1	ZINC000005493201	552503319	/nfs/dbraw/zinc/50/33/19/552503319.db2.gz	QAFPIRVGDWNCDV-HBYHRTCUSA-N	0	0	528.510	1.063	40	10		KDCBRN
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@H]3O[C@H]1C[C@@H](O)[C@H](O)[C@@H](C)O1	ZINC000005493202	552503275	/nfs/dbraw/zinc/50/32/75/552503275.db2.gz	QAFPIRVGDWNCDV-OCOSWCCZSA-N	0	0	528.510	1.063	40	10		KDCBRN
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@H]3O[C@H]1C[C@@H](O)[C@H](O)[C@H](C)O1	ZINC000005493203	552503270	/nfs/dbraw/zinc/50/32/70/552503270.db2.gz	QAFPIRVGDWNCDV-AWMBXVDSSA-N	0	0	528.510	1.063	40	10		KDCBRN
CCOC(=O)CNC(=O)[C@@H](c1ccc(N(C)C)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc2c(c1)OCO2	ZINC000006089332	552531231	/nfs/dbraw/zinc/53/12/31/552531231.db2.gz	NHSNGMIOAUENHP-JOCHJYFZSA-N	0	0	568.612	1.686	40	10		KDCBRN
CCOC(=O)CNC(=O)[C@@H](c1ccc(N(C)C)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1cccc(OC)c1	ZINC000006089335	552531221	/nfs/dbraw/zinc/53/12/21/552531221.db2.gz	XOXGFKKGRAUKEX-JOCHJYFZSA-N	0	0	554.629	1.966	40	10		KDCBRN
CCOC(=O)CNC(=O)[C@@H](c1ccc(N(C)C)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccccc1	ZINC000006089337	552531289	/nfs/dbraw/zinc/53/12/89/552531289.db2.gz	JGDQNNBRQYOWQD-OAQYLSRUSA-N	0	0	524.603	1.958	40	10		KDCBRN
CCOC(=O)CNC(=O)[C@@H](c1ccc(N(C)C)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccccc1OC	ZINC000006089341	552531689	/nfs/dbraw/zinc/53/16/89/552531689.db2.gz	NHYPRULSJYPRFQ-JOCHJYFZSA-N	0	0	554.629	1.966	40	10		KDCBRN
CCOC(=O)CNC(=O)[C@H](c1ccc(N(C)C)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc2c(c1)OCO2	ZINC000006089356	552531678	/nfs/dbraw/zinc/53/16/78/552531678.db2.gz	NHSNGMIOAUENHP-QFIPXVFZSA-N	0	0	568.612	1.686	40	10		KDCBRN
CCOC(=O)CNC(=O)[C@H](c1ccc(N(C)C)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1cccc(OC)c1	ZINC000006089359	552531694	/nfs/dbraw/zinc/53/16/94/552531694.db2.gz	XOXGFKKGRAUKEX-QFIPXVFZSA-N	0	0	554.629	1.966	40	10		KDCBRN
CCOC(=O)CNC(=O)[C@H](c1ccc(N(C)C)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccccc1	ZINC000006089361	552531704	/nfs/dbraw/zinc/53/17/04/552531704.db2.gz	JGDQNNBRQYOWQD-NRFANRHFSA-N	0	0	524.603	1.958	40	10		KDCBRN
CCOC(=O)CNC(=O)[C@H](c1ccc(N(C)C)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccccc1OC	ZINC000006089364	552531669	/nfs/dbraw/zinc/53/16/69/552531669.db2.gz	NHYPRULSJYPRFQ-QFIPXVFZSA-N	0	0	554.629	1.966	40	10		KDCBRN
COCCNC(=O)[C@H](c1ccc(N(C)C)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc2c(c1)OCCO2	ZINC000006135857	552540193	/nfs/dbraw/zinc/54/01/93/552540193.db2.gz	PWEDKAUSQPVOGP-QFIPXVFZSA-N	0	0	554.629	1.812	40	10		KDCBRN
COCCNC(=O)[C@H](c1ccc(N(C)C)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc2c(c1)OCO2	ZINC000006135858	552540158	/nfs/dbraw/zinc/54/01/58/552540158.db2.gz	ZELWXUXPURPJJT-NRFANRHFSA-N	0	0	540.602	1.770	40	10		KDCBRN
COCCNC(=O)[C@@H](c1ccc(N(C)C)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc2c(c1)OCCO2	ZINC000006135948	552540633	/nfs/dbraw/zinc/54/06/33/552540633.db2.gz	PWEDKAUSQPVOGP-JOCHJYFZSA-N	0	0	554.629	1.812	40	10		KDCBRN
COCCNC(=O)[C@@H](c1ccc(N(C)C)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc2c(c1)OCO2	ZINC000006135949	552540669	/nfs/dbraw/zinc/54/06/69/552540669.db2.gz	ZELWXUXPURPJJT-OAQYLSRUSA-N	0	0	540.602	1.770	40	10		KDCBRN
O=c1[nH]c2ccc(S(=O)(=O)Nc3ccc(NS(=O)(=O)c4ccc5[nH]c(=O)[nH]c5c4)cc3)cc2[nH]1	ZINC000006142900	552544614	/nfs/dbraw/zinc/54/46/14/552544614.db2.gz	OAGNOCXUYGZMGH-UHFFFAOYSA-N	0	0	500.518	1.627	40	10		KDCBRN
COc1c(I)cc(I)cc1C=C1C(=O)NC(=S)NC1=O	ZINC000006905784	552977638	/nfs/dbraw/zinc/97/76/38/552977638.db2.gz	XWGRYOPZDNTMFO-UHFFFAOYSA-N	0	0	514.082	1.819	40	10		KDCBRN
O=C(CCN1C(=O)/C(=C2\SC(=S)N(CCC(=O)N3CCCC3)C2=O)SC1=S)N1CCCC1	ZINC000008819078	553153713	/nfs/dbraw/zinc/15/37/13/553153713.db2.gz	RSNSUZAZORBENW-FOCLMDBBSA-N	0	0	512.704	1.944	40	10		KDCBRN
COc1ccc(N2CCN(C(=O)C[C@@H]3C(=O)NCCN3C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)cc1	ZINC000009926447	553316982	/nfs/dbraw/zinc/31/69/82/553316982.db2.gz	UNFVYFVPJDLDCA-OAQYLSRUSA-N	0	0	526.590	1.401	40	10		KDCBRN
COc1ccc(N2CCN(C(=O)C[C@H]3C(=O)NCCN3C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)cc1	ZINC000009926448	553316896	/nfs/dbraw/zinc/31/68/96/553316896.db2.gz	UNFVYFVPJDLDCA-NRFANRHFSA-N	0	0	526.590	1.401	40	10		KDCBRN
COc1ccc(N2CCN(C(=O)C[C@@H]3C(=O)NCCN3C(=O)c3ccc([N+](=O)[O-])cc3Cl)CC2)cc1	ZINC000009926451	553316942	/nfs/dbraw/zinc/31/69/42/553316942.db2.gz	VEQNXQGOGHRLAG-OAQYLSRUSA-N	0	0	515.954	1.936	40	10		KDCBRN
COc1ccc(N2CCN(C(=O)C[C@H]3C(=O)NCCN3C(=O)c3ccc([N+](=O)[O-])cc3Cl)CC2)cc1	ZINC000009926452	553316902	/nfs/dbraw/zinc/31/69/02/553316902.db2.gz	VEQNXQGOGHRLAG-NRFANRHFSA-N	0	0	515.954	1.936	40	10		KDCBRN
COc1ccc(N2CCN(C(=O)C[C@@H]3C(=O)NCCN3C(=O)c3cccc([N+](=O)[O-])c3Cl)CC2)cc1	ZINC000009926453	553316949	/nfs/dbraw/zinc/31/69/49/553316949.db2.gz	UHWHCTJXCLFWEW-HXUWFJFHSA-N	0	0	515.954	1.936	40	10		KDCBRN
COc1ccc(N2CCN(C(=O)C[C@H]3C(=O)NCCN3C(=O)c3cccc([N+](=O)[O-])c3Cl)CC2)cc1	ZINC000009926454	553316900	/nfs/dbraw/zinc/31/69/00/553316900.db2.gz	UHWHCTJXCLFWEW-FQEVSTJZSA-N	0	0	515.954	1.936	40	10		KDCBRN
COc1ccc(N2CCN(c3nc4c(c(=O)[nH]c(=O)n4C)n3C[C@H](C)CSc3ncccn3)CC2)cc1	ZINC000010249212	553330811	/nfs/dbraw/zinc/33/08/11/553330811.db2.gz	NSPBGVMERIADDV-KRWDZBQOSA-N	0	0	522.635	1.977	40	10		KDCBRN
COc1ccc(N2CCN(c3nc4c(c(=O)[nH]c(=O)n4C)n3C[C@@H](C)CSc3ncccn3)CC2)cc1	ZINC000010249213	553330902	/nfs/dbraw/zinc/33/09/02/553330902.db2.gz	NSPBGVMERIADDV-QGZVFWFLSA-N	0	0	522.635	1.977	40	10		KDCBRN
CCOC(=O)/C=c1\s/c(=C\c2ccc(N(C)C)cc2)c(=O)n1Cc1cc([N+](=O)[O-])cc2c1OCOC2	ZINC000013109846	553448210	/nfs/dbraw/zinc/44/82/10/553448210.db2.gz	QCMZGSJCEXTDSH-ZCNOQTDVSA-N	0	0	511.556	1.971	40	10		KDCBRN
COc1cc([C@@H](O)[C@@H](O)c2cc(CN3CCOCC3)c(O)c(OC)c2)cc(CN2CCOCC2)c1O	ZINC000017314101	553593081	/nfs/dbraw/zinc/59/30/81/553593081.db2.gz	KXGOXFFKVYMQCB-WMPKNSHKSA-N	0	0	504.580	1.546	40	10		KDCBRN
CCOc1ccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)CN2CCN(c3ccc(OC)cc3)CC2)cc1	ZINC000019818681	553619323	/nfs/dbraw/zinc/61/93/23/553619323.db2.gz	FYJJCKRQDMEJTR-DEOSSOPVSA-N	0	0	509.607	1.572	40	10		KDCBRN
CCOc1ccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)CN2CCN(c3ccc(OC)cc3)CC2)cc1	ZINC000019818682	553619530	/nfs/dbraw/zinc/61/95/30/553619530.db2.gz	FYJJCKRQDMEJTR-XMMPIXPASA-N	0	0	509.607	1.572	40	10		KDCBRN
COCCn1nnnc1[C@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)N1CCN(c2ccc(OC)cc2)CC1	ZINC000020084295	553685792	/nfs/dbraw/zinc/68/57/92/553685792.db2.gz	VXUAAZYDFYPYBA-DEOSSOPVSA-N	0	0	519.562	1.810	40	10		KDCBRN
COCCn1nnnc1[C@@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)N1CCN(c2ccc(OC)cc2)CC1	ZINC000020084298	553685796	/nfs/dbraw/zinc/68/57/96/553685796.db2.gz	VXUAAZYDFYPYBA-XMMPIXPASA-N	0	0	519.562	1.810	40	10		KDCBRN
COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=C(C)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000020287310	553632764	/nfs/dbraw/zinc/63/27/64/553632764.db2.gz	VAIRPDDHYNCEAF-STZFKDTASA-N	0	0	501.521	1.614	40	10		KDCBRN
COc1ccc(N2CCN(CC(=O)N3CCNC(=O)[C@@H]3CC(=O)Nc3cc(OC)ccc3OC)CC2)cc1	ZINC000022609716	553748197	/nfs/dbraw/zinc/74/81/97/553748197.db2.gz	NYYPFZGCQUDEIY-QHCPKHFHSA-N	0	0	525.606	1.190	40	10		KDCBRN
COc1ccc(N2CCN(CC(=O)N3CCNC(=O)[C@H]3CC(=O)Nc3cc(OC)ccc3OC)CC2)cc1	ZINC000022609721	553748172	/nfs/dbraw/zinc/74/81/72/553748172.db2.gz	NYYPFZGCQUDEIY-HSZRJFAPSA-N	0	0	525.606	1.190	40	10		KDCBRN
COc1cc([C@H](O)[C@@H](O)c2cc(CN3CCOCC3)c(O)c(OC)c2)cc(CN2CCOCC2)c1O	ZINC000031637375	553861496	/nfs/dbraw/zinc/86/14/96/553861496.db2.gz	KXGOXFFKVYMQCB-UIOOFZCWSA-N	0	0	504.580	1.546	40	10		KDCBRN
COc1cc([C@@H](O)[C@H](O)c2cc(CN3CCOCC3)c(O)c(OC)c2)cc(CN2CCOCC2)c1O	ZINC000031637380	553861523	/nfs/dbraw/zinc/86/15/23/553861523.db2.gz	KXGOXFFKVYMQCB-CLJLJLNGSA-N	0	0	504.580	1.546	40	10		KDCBRN
CCOc1cc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)cc(Cl)c1OS(C)(=O)=O	ZINC000041077836	554293446	/nfs/dbraw/zinc/29/34/46/554293446.db2.gz	TZDXHPMCPHFIBB-RRRDMQOJSA-N	0	0	506.971	1.698	40	10		KDCBRN
CCS(=O)(=O)C1=NN2C(=NC(=O)/C(=C\c3cc(Cl)c(OS(C)(=O)=O)c(OC)c3)C2=N)S1	ZINC000041084004	554294202	/nfs/dbraw/zinc/29/42/02/554294202.db2.gz	MJIHUPZJAATWLR-RRRDMQOJSA-N	0	0	506.971	1.698	40	10		KDCBRN
COc1cc(/C=C2/C(=N)N3N=C(S(=O)(=O)CC(C)C)SC3=NC2=O)ccc1OS(C)(=O)=O	ZINC000041085270	554294420	/nfs/dbraw/zinc/29/44/20/554294420.db2.gz	WLHSUIUQRHZZMO-AQINLTQESA-N	0	0	500.580	1.681	40	10		KDCBRN
COC(=O)COc1c(I)cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc1OC	ZINC000059139568	554383435	/nfs/dbraw/zinc/38/34/35/554383435.db2.gz	DYEDZSWTAGFEAR-UHFFFAOYSA-N	0	0	504.302	1.450	40	10		KDCBRN
CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(I)c1OCC(=O)OC	ZINC000059139812	554383365	/nfs/dbraw/zinc/38/33/65/554383365.db2.gz	DIRIWJCIXFMRSZ-UHFFFAOYSA-N	0	0	518.329	1.840	40	10		KDCBRN
CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)CN2CCN(c3ccc(OC)cc3)CC2)cc1	ZINC000059816419	554430596	/nfs/dbraw/zinc/43/05/96/554430596.db2.gz	BNHKOOFYABWCTK-XMMPIXPASA-N	0	0	537.617	1.350	40	10		KDCBRN
CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)CN2CCN(c3ccc(OC)cc3)CC2)cc1	ZINC000059816425	554430531	/nfs/dbraw/zinc/43/05/31/554430531.db2.gz	BNHKOOFYABWCTK-DEOSSOPVSA-N	0	0	537.617	1.350	40	10		KDCBRN
O=C(C[C@@H]1CCN2C[C@@H]1CCCOc1ccc(N3CCOCC3)cc1CNCC2=O)N1CCOCC1	ZINC000067878866	554534385	/nfs/dbraw/zinc/53/43/85/554534385.db2.gz	BIPMXAPKTIULTH-VXKWHMMOSA-N	0	0	500.640	1.499	40	10		KDCBRN
O=c1c(-c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2)coc2c(C[NH+]3CCCC3)c([O-])c(C[NH+]3CCCC3)c([O-])c12	ZINC000071387189	553635742	/nfs/dbraw/zinc/63/57/42/553635742.db2.gz	XHWRQXJLYSFVAP-QVBFNDMOSA-N	0	0	598.649	1.242	40	10		KDCBRN
O=C(C[C@@H]1CCN2C[C@@H]1CCCOc1ccc(N3CCOCC3)cc1CNCC2=O)NCCN1CCOCC1	ZINC000072320679	553647674	/nfs/dbraw/zinc/64/76/74/553647674.db2.gz	DSHCBURSYNBOPP-ZEQRLZLVSA-N	0	0	543.709	1.089	40	10		KDCBRN
COCCN1CCN(C(=O)C[C@@H]2CCN3C[C@@H]2CCCOc2ccc(N4CCOCC4)cc2CNCC3=O)CC1	ZINC000072320698	553647853	/nfs/dbraw/zinc/64/78/53/553647853.db2.gz	OHLFLSQUBNLHMJ-DQEYMECFSA-N	0	0	557.736	1.431	40	10		KDCBRN
COC(=O)C[C@H]1C[C@@]2(S[C@@]34C[C@H](CC(=O)OC)O[C@H](C)[C@]3(O)C(=O)c3c(O)cccc3C4=O)C(=O)c3cccc(O)c3C(=O)[C@@]2(O)[C@@H](C)O1	ZINC000077269082	291709236	/nfs/dbraw/zinc/70/92/36/291709236.db2.gz	ZNGDPFXOZZOOAY-LONOMPIQSA-N	0	0	698.699	1.710	40	10	biogenic,in-vitro	KDCBRN
COC(=O)C[C@H]1C[C@@]2(S[C@@]34C[C@H](CC(=O)OC)O[C@@H](C)[C@]3(O)C(=O)c3c(O)cccc3C4=O)C(=O)c3cccc(O)c3C(=O)[C@@]2(O)[C@@H](C)O1	ZINC000077269087	553655248	/nfs/dbraw/zinc/65/52/48/553655248.db2.gz	ZNGDPFXOZZOOAY-APKCCAEWSA-N	0	0	698.699	1.710	40	10	biogenic,in-vitro	KDCBRN
COC(=O)C[C@H]1C[C@@]2(S[C@@]34C[C@H](CC(=O)OC)O[C@H](C)[C@]3(O)C(=O)c3c(O)cccc3C4=O)C(=O)c3cccc(O)c3C(=O)[C@]2(O)[C@@H](C)O1	ZINC000077269091	553655164	/nfs/dbraw/zinc/65/51/64/553655164.db2.gz	ZNGDPFXOZZOOAY-UYAUIYFVSA-N	0	0	698.699	1.710	40	10	biogenic,in-vitro	KDCBRN
COC(=O)C[C@H]1C[C@@]2(S[C@@]34C[C@H](CC(=O)OC)O[C@@H](C)[C@@]3(O)C(=O)c3c(O)cccc3C4=O)C(=O)c3cccc(O)c3C(=O)[C@@]2(O)[C@@H](C)O1	ZINC000077269096	553655223	/nfs/dbraw/zinc/65/52/23/553655223.db2.gz	ZNGDPFXOZZOOAY-XAOFQIPQSA-N	0	0	698.699	1.710	40	10	biogenic,in-vitro	KDCBRN
COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@@H](C)O[C@H]5[C@H](O)[C@H]3O)[C@H]3COC(=O)[C@@H]32)OCO4)cc(O)c1O	ZINC000077287212	553658778	/nfs/dbraw/zinc/65/87/78/553658778.db2.gz	CYOJPLOJEPTJMM-FMEAWWTOSA-N	0	0	574.535	1.036	40	10	in-man	KDCBRN
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@H]3O[C@H]1O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000082185312	553675033	/nfs/dbraw/zinc/67/50/33/553675033.db2.gz	NKMHRLWNPZSPGM-CZTLBAOOSA-N	0	0	728.656	1.289	40	10		KDCBRN
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@](O)(C(C)=O)C[C@H]3O[C@H]1O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000082185314	553675003	/nfs/dbraw/zinc/67/50/03/553675003.db2.gz	NKMHRLWNPZSPGM-WFGQUMSESA-N	0	0	728.656	1.289	40	10		KDCBRN
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000082185317	553675054	/nfs/dbraw/zinc/67/50/54/553675054.db2.gz	NKMHRLWNPZSPGM-LQOWUBOXSA-N	0	0	728.656	1.289	40	10		KDCBRN
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@](O)(C(C)=O)C[C@@H]3O[C@H]1O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000082185319	553674993	/nfs/dbraw/zinc/67/49/93/553674993.db2.gz	NKMHRLWNPZSPGM-PDLJOJABSA-N	0	0	728.656	1.289	40	10		KDCBRN
COC(=O)[C@@H]1c2cc3c(c(O)c2[C@@H](O[C@@H]2O[C@@H](C)[C@H](OC)[C@@](C)(OC)[C@H]2OC)C[C@]1(C)O)C(=O)c1c(O)cc2c(c1C3=O)O[C@@H]1O[C@@]2(C)[C@H](O)[C@@H](N(C)C)[C@@H]1O	ZINC000085540240	553683194	/nfs/dbraw/zinc/68/31/94/553683194.db2.gz	KGTDRFCXGRULNK-JYOBTZKQSA-N	0	0	787.812	1.138	40	10	in-man	KDCBRN
CCOC(=O)/C=c1/s/c(=C/c2ccc(N(CC)Cc3ccccc3)cc2)c(=O)n1CC(=O)N1CCOCC1	ZINC000097981647	553996036	/nfs/dbraw/zinc/99/60/36/553996036.db2.gz	JXNHAQIHWZRQAS-ODWNJEOJSA-N	0	0	535.666	1.968	40	10		KDCBRN
CCOC(=O)/C=c1\s/c(=C\c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c(=O)n1CC(=O)N1CCC(C)CC1	ZINC000097982243	554000337	/nfs/dbraw/zinc/00/03/37/554000337.db2.gz	CVPVWHTUPGKDCX-XTEBFAGPSA-N	0	0	544.630	1.086	40	10		KDCBRN
CCOC(=O)/C=c1\s/c(=C/c2ccc(N(C)C)cc2)c(=O)n1Cc1cc([N+](=O)[O-])cc2c1OCOC2	ZINC000097993911	554031442	/nfs/dbraw/zinc/03/14/42/554031442.db2.gz	QCMZGSJCEXTDSH-XFMFAQHNSA-N	0	0	511.556	1.971	40	10		KDCBRN
CC(=O)NCCNC(=O)C[C@@H]1CCN2C[C@@H]1/C=C/COc1ccc(N(C)CCc3ccccn3)cc1CNCC2=O	ZINC000100035262	554188289	/nfs/dbraw/zinc/18/82/89/554188289.db2.gz	GWCPWTHLBZADKO-JBXJEGJESA-N	0	0	562.715	1.906	40	10		KDCBRN
COc1ccc(-n2nnnc2CSc2nnc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)n2C)cc1	ZINC000100273468	554270666	/nfs/dbraw/zinc/27/06/66/554270666.db2.gz	LYVTVNRZOPLEDQ-UHFFFAOYSA-N	0	0	528.620	1.780	40	10		KDCBRN
CC(=O)OC[C@H]1O[C@@H](N2C(=O)/C(=C\c3ccc4c(c3)OCO4)SC2=S)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000100928953	554525842	/nfs/dbraw/zinc/52/58/42/554525842.db2.gz	AMQDJPMOQFQPQJ-ZTETXEIYSA-N	0	0	595.604	1.700	40	10		KDCBRN
CC(=O)OC[C@@H]1O[C@@H](N2C(=O)/C(=C\c3ccc4c(c3)OCO4)SC2=S)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000100928957	554525812	/nfs/dbraw/zinc/52/58/12/554525812.db2.gz	AMQDJPMOQFQPQJ-HGHLPDOQSA-N	0	0	595.604	1.700	40	10		KDCBRN
CC(=O)OC[C@H]1O[C@@H](N2C(=O)/C(=C\c3ccc4c(c3)OCO4)SC2=S)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000100928958	554525840	/nfs/dbraw/zinc/52/58/40/554525840.db2.gz	AMQDJPMOQFQPQJ-CUTIDRMNSA-N	0	0	595.604	1.700	40	10		KDCBRN
CC(=O)OC[C@@H]1O[C@@H](N2C(=O)/C(=C\c3ccc4c(c3)OCO4)SC2=S)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000100928959	554525826	/nfs/dbraw/zinc/52/58/26/554525826.db2.gz	AMQDJPMOQFQPQJ-BOOINBAISA-N	0	0	595.604	1.700	40	10		KDCBRN
NS(=O)(=O)c1ccc(NC(=O)CN2C(=O)C[C@@H](N3C(=O)/C(=C/c4ccccc4)SC3=S)C2=O)cc1	ZINC000100972312	554544495	/nfs/dbraw/zinc/54/44/95/554544495.db2.gz	YJZORFWQNRNSHO-FNTDYBJHSA-N	0	0	530.609	1.301	40	10		KDCBRN
NS(=O)(=O)c1ccc(NC(=O)CN2C(=O)C[C@H](N3C(=O)/C(=C/c4ccccc4)SC3=S)C2=O)cc1	ZINC000100972315	554544453	/nfs/dbraw/zinc/54/44/53/554544453.db2.gz	YJZORFWQNRNSHO-IUPCOXQMSA-N	0	0	530.609	1.301	40	10		KDCBRN
O=C(CCCN1C(=O)/C(=C2\SC(=S)N(CCCC(=O)N3CCOCC3)C2=O)SC1=S)N1CCOCC1	ZINC000101000062	554552191	/nfs/dbraw/zinc/55/21/91/554552191.db2.gz	OQTHFZRQBOVDPV-ISLYRVAYSA-N	0	0	572.756	1.197	40	10		KDCBRN
O=C(CCCN1C(=O)/C(=C2\SC(=S)N(CCCC(=O)NC3=NCCS3)C2=O)SC1=S)NC1=NCCS1	ZINC000101002484	554553086	/nfs/dbraw/zinc/55/30/86/554553086.db2.gz	CXVVPZHLXRLDBY-BUHFOSPRSA-N	0	0	602.836	1.917	40	10		KDCBRN
CCN(CCO)C(=O)CCCN1C(=O)/C(=C2\SC(=S)N(CCCC(=O)N(CC)CCO)C2=O)SC1=S	ZINC000101002490	554553037	/nfs/dbraw/zinc/55/30/37/554553037.db2.gz	UEFWPFUPSYQPRO-ISLYRVAYSA-N	0	0	576.788	1.161	40	10		KDCBRN
COc1ccc(/C=C2/SC(=S)N([C@@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3OC(C)=O)C2=O)cc1	ZINC000101459502	554777935	/nfs/dbraw/zinc/77/79/35/554777935.db2.gz	UTEZYJBATUKDNE-DCLKTYMISA-N	0	0	581.621	1.980	40	10		KDCBRN
COc1ccc(/C=C2/SC(=S)N([C@@H]3O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3OC(C)=O)C2=O)cc1	ZINC000101459504	554777931	/nfs/dbraw/zinc/77/79/31/554777931.db2.gz	UTEZYJBATUKDNE-RTWFTCMLSA-N	0	0	581.621	1.980	40	10		KDCBRN
COc1ccc(/C=C2/SC(=S)N([C@@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3OC(C)=O)C2=O)cc1OC	ZINC000101462006	554778918	/nfs/dbraw/zinc/77/89/18/554778918.db2.gz	ANSYEHGCEWSTSC-UJFGECBPSA-N	0	0	611.647	1.988	40	10		KDCBRN
COc1ccc(/C=C2/SC(=S)N([C@@H]3O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3OC(C)=O)C2=O)cc1OC	ZINC000101462009	554778915	/nfs/dbraw/zinc/77/89/15/554778915.db2.gz	ANSYEHGCEWSTSC-SZAZGADMSA-N	0	0	611.647	1.988	40	10		KDCBRN
COc1ccc(/C=C2/SC(=S)N([C@@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3OC(C)=O)C2=O)c(OC)c1	ZINC000101462012	554778950	/nfs/dbraw/zinc/77/89/50/554778950.db2.gz	QFVLQXHSSYLRFN-VAVGYQJZSA-N	0	0	611.647	1.988	40	10		KDCBRN
COc1ccc(/C=C2/SC(=S)N([C@@H]3O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3OC(C)=O)C2=O)c(OC)c1	ZINC000101462015	554778920	/nfs/dbraw/zinc/77/89/20/554778920.db2.gz	QFVLQXHSSYLRFN-RMMYPRIMSA-N	0	0	611.647	1.988	40	10		KDCBRN
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[N-]=[N+]=NCCOCCOCCOCCOCCC(=O)NCCCOCCOCCOCCCNC(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]21	ZINC000159982078	571530761	/nfs/dbraw/zinc/53/07/61/571530761.db2.gz	PGKVTRDNJKCRIX-WWDWLDGVSA-N	0	0	719.903	1.541	40	10		KDCBRN
[N-]=[N+]=NCCOCCOCCOCCOCCC(=O)NCCCOCCOCCOCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21	ZINC000159982204	571530687	/nfs/dbraw/zinc/53/06/87/571530687.db2.gz	PGKVTRDNJKCRIX-VWYPKUQYSA-N	0	0	719.903	1.541	40	10		KDCBRN
[N-]=[N+]=NCCOCCOCCOCCOCCC(=O)NCCCOCCOCCOCCCNC(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]21	ZINC000159982325	571530665	/nfs/dbraw/zinc/53/06/65/571530665.db2.gz	PGKVTRDNJKCRIX-HRHHFINDSA-N	0	0	719.903	1.541	40	10		KDCBRN
[N-]=[N+]=NCCOCCOCCOCCOCCC(=O)NCCCOCCOCCOCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]21	ZINC000159982459	571530739	/nfs/dbraw/zinc/53/07/39/571530739.db2.gz	PGKVTRDNJKCRIX-FEVNIDIWSA-N	0	0	719.903	1.541	40	10		KDCBRN
COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)NCc1ccc(N2CCOCC2)cc1	ZINC000223257542	571451703	/nfs/dbraw/zinc/45/17/03/571451703.db2.gz	KEEBCDZUFJVBNN-UHFFFAOYSA-N	0	0	503.621	1.802	40	10		KDCBRN
O=C(C[C@@H]1C(C(=O)OCCc2ccc(O)c(O)c2)=CO[C@@H]2CO[C@@H](O)[C@@H]21)OCCc1ccc(O)c(O)c1	ZINC000230148665	291727855	/nfs/dbraw/zinc/72/78/55/291727855.db2.gz	AIPGFMVNUMXXEM-ZKDQYBJRSA-N	0	0	516.499	1.634	40	10	biogenic,in-vitro	KDCBRN
O=C(C[C@@H]1C(C(=O)OCCc2ccc(O)c(O)c2)=CO[C@@H]2CO[C@H](O)[C@@H]21)OCCc1ccc(O)c(O)c1	ZINC000230148674	291727885	/nfs/dbraw/zinc/72/78/85/291727885.db2.gz	AIPGFMVNUMXXEM-KTIWIZFTSA-N	0	0	516.499	1.634	40	10	biogenic,in-vitro	KDCBRN
[N-]=[N+]=NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN=[N+]=[N-]	ZINC000230494644	572187156	/nfs/dbraw/zinc/18/71/56/572187156.db2.gz	FKAUXUWXBFMGEU-UHFFFAOYSA-N	0	0	596.679	1.790	40	10		KDCBRN
COC(=O)C[C@@H]1C[C@]2(S[C@]34C[C@H](CC(=O)OC)O[C@H](C)[C@]3(O)C(=O)c3c(O)cccc3C4=O)C(=O)c3cccc(O)c3C(=O)[C@]2(O)[C@@H](C)O1	ZINC000248059421	565207208	/nfs/dbraw/zinc/20/72/08/565207208.db2.gz	ZNGDPFXOZZOOAY-HHOLMHLLSA-N	0	0	698.699	1.710	40	10	biogenic,in-vitro	KDCBRN
COC(=O)C[C@@H]1C[C@]2(S[C@]34C[C@H](CC(=O)OC)O[C@H](C)[C@]3(O)C(=O)c3c(O)cccc3C4=O)C(=O)c3cccc(O)c3C(=O)[C@@]2(O)[C@H](C)O1	ZINC000248059431	291457588	/nfs/dbraw/zinc/45/75/88/291457588.db2.gz	ZNGDPFXOZZOOAY-PLNDWZJJSA-N	0	0	698.699	1.710	40	10	biogenic,in-vitro	KDCBRN
COC(=O)C[C@@H]1C[C@]2(S[C@]34C[C@H](CC(=O)OC)O[C@H](C)[C@]3(O)C(=O)c3c(O)cccc3C4=O)C(=O)c3cccc(O)c3C(=O)[C@]2(O)[C@H](C)O1	ZINC000248059441	291457471	/nfs/dbraw/zinc/45/74/71/291457471.db2.gz	ZNGDPFXOZZOOAY-UMKHJOORSA-N	0	0	698.699	1.710	40	10	biogenic,in-vitro	KDCBRN
COC(=O)C[C@@H]1C[C@]2(S[C@]34C[C@H](CC(=O)OC)O[C@H](C)[C@]3(O)C(=O)c3c(O)cccc3C4=O)C(=O)c3cccc(O)c3C(=O)[C@@]2(O)[C@@H](C)O1	ZINC000248059447	565207221	/nfs/dbraw/zinc/20/72/21/565207221.db2.gz	ZNGDPFXOZZOOAY-VHCLZKSLSA-N	0	0	698.699	1.710	40	10	biogenic,in-vitro	KDCBRN
O=C(C[C@@H]1C(C(=O)OCCc2ccc(O)c(O)c2)=CO[C@@H]2CO[C@H](O)[C@H]21)OCCc1ccc(O)c(O)c1	ZINC000253369255	291464110	/nfs/dbraw/zinc/46/41/10/291464110.db2.gz	AIPGFMVNUMXXEM-GEAMXOOPSA-N	0	0	516.499	1.634	40	10	biogenic,in-vitro	KDCBRN
O=C(C[C@@H]1C(C(=O)OCCc2ccc(O)c(O)c2)=CO[C@@H]2CO[C@@H](O)[C@H]21)OCCc1ccc(O)c(O)c1	ZINC000253369256	291464104	/nfs/dbraw/zinc/46/41/04/291464104.db2.gz	AIPGFMVNUMXXEM-MATHTASDSA-N	0	0	516.499	1.634	40	10	biogenic,in-vitro	KDCBRN
Cn1cc(-c2ccc3c(c2)OCC[C@@H]2CC[C@H](O)[C@@H](CNC(=O)[C@@H]4CN(Cc5ccccc5O)CCN4C3=O)O2)cn1	ZINC000253399127	572284588	/nfs/dbraw/zinc/28/45/88/572284588.db2.gz	ILQYMIMPAMRLHI-HGAMEBRSSA-N	0	0	575.666	1.927	40	10		KDCBRN
CS(=O)(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CCN(Cc4ccccc4O)C[C@H]3C(=O)NC[C@H]1O2	ZINC000253403220	572285742	/nfs/dbraw/zinc/28/57/42/572285742.db2.gz	PPEDVKJDTBGSRI-TYDNGALESA-N	0	0	572.684	1.083	40	10		KDCBRN
COCC(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CCN(Cc4ccccc4O)C[C@H]3C(=O)NC[C@H]1O2	ZINC000253405885	572286296	/nfs/dbraw/zinc/28/62/96/572286296.db2.gz	TWURUUXNPNSHHS-WCJVPVSSSA-N	0	0	566.655	1.296	40	10		KDCBRN
O=C1NC[C@H]2O[C@@H](CC[C@H]2n2cc(CN3CCOCC3)nn2)CCOc2ccccc2C(=O)N2CCN(Cc3ccccc3O)C[C@@H]12	ZINC000253407006	572286681	/nfs/dbraw/zinc/28/66/81/572286681.db2.gz	VOAFLCRTYAIXMY-MDBSOONOSA-N	0	0	645.761	1.830	40	10		KDCBRN
CC(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CCN(Cc4ccccc4O)C[C@H]3C(=O)NC[C@H]1O2	ZINC000253408417	572286778	/nfs/dbraw/zinc/28/67/78/572286778.db2.gz	XWJODEMIELQEGI-WCJVPVSSSA-N	0	0	536.629	1.670	40	10		KDCBRN
COc1ccc(/C=C2/SC(=S)N([C@@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)C2=O)cc1OC	ZINC000254398687	572302549	/nfs/dbraw/zinc/30/25/49/572302549.db2.gz	ANSYEHGCEWSTSC-UBAUHOQPSA-N	0	0	611.647	1.988	40	10		KDCBRN
COc1ccc(/C=C2/SC(=S)N([C@@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)C2=O)c(OC)c1	ZINC000254404029	572302489	/nfs/dbraw/zinc/30/24/89/572302489.db2.gz	QFVLQXHSSYLRFN-JDLRDMPDSA-N	0	0	611.647	1.988	40	10		KDCBRN
CC(=O)OC[C@@H]1O[C@H](N2C(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)SC2=S)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000254406750	572302602	/nfs/dbraw/zinc/30/26/02/572302602.db2.gz	PIFZLLZQOSVACN-JGJGYIGKSA-N	0	0	596.592	1.879	40	10		KDCBRN
CC(=O)OC[C@@H]1O[C@H](N2C(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)SC2=S)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000254406753	572302604	/nfs/dbraw/zinc/30/26/04/572302604.db2.gz	PIFZLLZQOSVACN-VFVYLXGSSA-N	0	0	596.592	1.879	40	10		KDCBRN
CC(=O)OC[C@@H]1O[C@H](N2C(=O)/C(=C\c3ccccc3)SC2=S)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000254407553	572302606	/nfs/dbraw/zinc/30/26/06/572302606.db2.gz	LDZMLSWJYIOGHW-JUMCKLOWSA-N	0	0	551.595	1.971	40	10		KDCBRN
CC(=O)OC[C@@H]1O[C@H](N2C(=O)/C(=C\c3ccccc3)SC2=S)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000254407557	572302628	/nfs/dbraw/zinc/30/26/28/572302628.db2.gz	LDZMLSWJYIOGHW-JWSWWCNQSA-N	0	0	551.595	1.971	40	10		KDCBRN
COc1ccccc1/C=C1/SC(=S)N([C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)C1=O	ZINC000254515927	572302925	/nfs/dbraw/zinc/30/29/25/572302925.db2.gz	OCFHPJUJYJNEHW-QCMPKVFGSA-N	0	0	581.621	1.980	40	10		KDCBRN
COc1ccc(/C=C2/SC(=S)N([C@@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)C2=O)cc1	ZINC000254769902	572303506	/nfs/dbraw/zinc/30/35/06/572303506.db2.gz	UTEZYJBATUKDNE-QCMPKVFGSA-N	0	0	581.621	1.980	40	10		KDCBRN
C[C@]1(O)CC2(CC[NH+](Cc3cc(CC(=O)[O-])ccc3O)CC2)OC[C@@H]1n1cc(Br)c(=O)[nH]c1=O	ZINC000257324053	572318179	/nfs/dbraw/zinc/31/81/79/572318179.db2.gz	WMYDOELOXVMAEQ-AVRDEDQJSA-N	0	0	538.395	1.791	40	10		KDCBRN
COc1ccc(/C=C2/SC(=S)N([C@@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]3OC(C)=O)C2=O)cc1OC	ZINC000257346717	1066352671	/nfs/dbraw/zinc/35/26/71/1066352671.db2.gz	ANSYEHGCEWSTSC-LQFKQCPZSA-N	0	0	611.647	1.988	40	10		KDCBRN
COc1ccc(/C=C2/SC(=S)N([C@@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]3OC(C)=O)C2=O)cc1OC	ZINC000257346718	1066352784	/nfs/dbraw/zinc/35/27/84/1066352784.db2.gz	ANSYEHGCEWSTSC-WJWLURGVSA-N	0	0	611.647	1.988	40	10		KDCBRN
COc1ccccc1/C=C1/SC(=S)N([C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]2OC(C)=O)C1=O	ZINC000257346722	1066352702	/nfs/dbraw/zinc/35/27/02/1066352702.db2.gz	OCFHPJUJYJNEHW-FKAAFHJCSA-N	0	0	581.621	1.980	40	10		KDCBRN
COc1ccccc1/C=C1/SC(=S)N([C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)C1=O	ZINC000257346723	1066352740	/nfs/dbraw/zinc/35/27/40/1066352740.db2.gz	OCFHPJUJYJNEHW-QOXLWOCNSA-N	0	0	581.621	1.980	40	10		KDCBRN
CC(=O)OC[C@@H]1O[C@H](N2C(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)SC2=S)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000257346728	1066352687	/nfs/dbraw/zinc/35/26/87/1066352687.db2.gz	PIFZLLZQOSVACN-HGLRGHGCSA-N	0	0	596.592	1.879	40	10		KDCBRN
CC(=O)OC[C@@H]1O[C@H](N2C(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)SC2=S)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000257346729	1066352766	/nfs/dbraw/zinc/35/27/66/1066352766.db2.gz	PIFZLLZQOSVACN-JSWGAGIDSA-N	0	0	596.592	1.879	40	10		KDCBRN
COc1ccc(/C=C2/SC(=S)N([C@@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]3OC(C)=O)C2=O)c(OC)c1	ZINC000257346730	1066352726	/nfs/dbraw/zinc/35/27/26/1066352726.db2.gz	QFVLQXHSSYLRFN-BJBMLKOUSA-N	0	0	611.647	1.988	40	10		KDCBRN
COc1ccc(/C=C2/SC(=S)N([C@@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]3OC(C)=O)C2=O)c(OC)c1	ZINC000257346731	1066352714	/nfs/dbraw/zinc/35/27/14/1066352714.db2.gz	QFVLQXHSSYLRFN-HEEXTMDESA-N	0	0	611.647	1.988	40	10		KDCBRN
COc1ccc(/C=C2/SC(=S)N([C@@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]3OC(C)=O)C2=O)cc1	ZINC000257346736	572320485	/nfs/dbraw/zinc/32/04/85/572320485.db2.gz	UTEZYJBATUKDNE-FKAAFHJCSA-N	0	0	581.621	1.980	40	10		KDCBRN
COc1ccc(/C=C2/SC(=S)N([C@@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]3OC(C)=O)C2=O)cc1	ZINC000257346737	572320478	/nfs/dbraw/zinc/32/04/78/572320478.db2.gz	UTEZYJBATUKDNE-QOXLWOCNSA-N	0	0	581.621	1.980	40	10		KDCBRN
CC(=O)OC[C@@H]1O[C@H](N2C(=O)/C(=C\c3ccc4c(c3)OCO4)SC2=S)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000257346749	572320435	/nfs/dbraw/zinc/32/04/35/572320435.db2.gz	AMQDJPMOQFQPQJ-CWJHOHPISA-N	0	0	595.604	1.700	40	10		KDCBRN
CC(=O)OC[C@@H]1O[C@H](N2C(=O)/C(=C\c3ccc4c(c3)OCO4)SC2=S)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000257346750	572320449	/nfs/dbraw/zinc/32/04/49/572320449.db2.gz	AMQDJPMOQFQPQJ-JOMNBKSRSA-N	0	0	595.604	1.700	40	10		KDCBRN
CC(=O)OC[C@@H]1O[C@H](N2C(=O)/C(=C\c3ccccc3)SC2=S)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000257346781	572320456	/nfs/dbraw/zinc/32/04/56/572320456.db2.gz	LDZMLSWJYIOGHW-DEKDDRGHSA-N	0	0	551.595	1.971	40	10		KDCBRN
CC(=O)OC[C@@H]1O[C@H](N2C(=O)/C(=C\c3ccccc3)SC2=S)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000257346782	572320469	/nfs/dbraw/zinc/32/04/69/572320469.db2.gz	LDZMLSWJYIOGHW-FNMXVYSZSA-N	0	0	551.595	1.971	40	10		KDCBRN
Cn1c2cc(NC=C3C(=O)[N-]C(=O)N(CCc4ccccc4)C3=O)c(N3CC[NH+](C)CC3)cc2n(C)c1=O	ZINC000408526298	572157057	/nfs/dbraw/zinc/15/70/57/572157057.db2.gz	BNYMRMBCWTZWAN-HTXNQAPBSA-N	0	0	517.590	1.246	40	10		KDCBRN
CCc1ccccc1N1C(=O)[N-]C(=O)C(=CNc2cc3c(cc2N2CC[NH+](C)CC2)n(C)c(=O)n3C)C1=O	ZINC000408526564	572157790	/nfs/dbraw/zinc/15/77/90/572157790.db2.gz	BMQFTBREHVELCK-FBMGVBCBSA-N	0	0	517.590	1.770	40	10		KDCBRN
Cn1c2cc(NC=C3C(=O)N(C)C(=O)N(C)C3=O)c(N3CCN(c4ccccc4)CC3)cc2n(C)c1=O	ZINC000408526626	572157578	/nfs/dbraw/zinc/15/75/78/572157578.db2.gz	BTMGCFWUJAQTJM-UHFFFAOYSA-N	0	0	503.563	1.550	40	10		KDCBRN
COc1ccc(N2C(=O)[N-]C(=O)C(=CNc3cc4c(cc3N3CC[NH+](C)CC3)n(C)c(=O)n4C)C2=O)cc1	ZINC000408526651	572157846	/nfs/dbraw/zinc/15/78/46/572157846.db2.gz	CWRCHHMYHCRSGY-SDXDJHTJSA-N	0	0	519.562	1.216	40	10		KDCBRN
Cc1ccc(C)c(N2C(=O)[N-]C(=O)C(=CNc3cc4c(cc3N3CC[NH+](C)CC3)n(C)c(=O)n4C)C2=O)c1	ZINC000408526849	572158976	/nfs/dbraw/zinc/15/89/76/572158976.db2.gz	DEPIMDFKZUGEIH-OBGWFSINSA-N	0	0	517.590	1.824	40	10		KDCBRN
Cc1ccc(N2C(=O)[N-]C(=O)C(=CNc3cc4c(cc3N3CC[NH+](C)CC3)n(C)c(=O)n4C)C2=O)cc1C	ZINC000408527489	572160199	/nfs/dbraw/zinc/16/01/99/572160199.db2.gz	FWHKMUWSKTURLL-XDJHFCHBSA-N	0	0	517.590	1.824	40	10		KDCBRN
Cn1c2cc(NC=C3C(=O)[N-]C(=O)N(c4ccc(Br)cc4)C3=O)c(N3CC[NH+](C)CC3)cc2n(C)c1=O	ZINC000408530068	572170510	/nfs/dbraw/zinc/17/05/10/572170510.db2.gz	INPCESHHYXSLLQ-SAPNQHFASA-N	0	0	568.432	1.970	40	10		KDCBRN
CCOc1ccc(N2C(=O)[N-]C(=O)C(=CNc3cc4[nH]c(=O)[nH]c4cc3N3CC[NH+](C)CC3)C2=O)cc1	ZINC000408530957	572173843	/nfs/dbraw/zinc/17/38/43/572173843.db2.gz	NBAVGINFPDTAHC-SAPNQHFASA-N	0	0	505.535	1.998	40	10		KDCBRN
Cn1c2cc(NC=C3C(=O)[N-]C(=O)N(c4ccccc4Cl)C3=O)c(N3CC[NH+](C)CC3)cc2n(C)c1=O	ZINC000408533619	572183996	/nfs/dbraw/zinc/18/39/96/572183996.db2.gz	OPFSSBMOXRKHEV-CCEZHUSRSA-N	0	0	523.981	1.861	40	10		KDCBRN
COc1ccccc1N1C(=O)[N-]C(=O)C(=CNc2cc3c(cc2N2CC[NH+](C)CC2)n(C)c(=O)n3C)C1=O	ZINC000408534437	572186135	/nfs/dbraw/zinc/18/61/35/572186135.db2.gz	QVVRSQBXJRPOHK-FOCLMDBBSA-N	0	0	519.562	1.216	40	10		KDCBRN
Cc1cccc(N2C(=O)[N-]C(=O)C(=CNc3cc4c(cc3N3CC[NH+](C)CC3)n(C)c(=O)n4C)C2=O)c1	ZINC000408537264	572193652	/nfs/dbraw/zinc/19/36/52/572193652.db2.gz	ZTQARZMTFNPQSA-OBGWFSINSA-N	0	0	503.563	1.516	40	10		KDCBRN
Cn1c2cc(NC=C3C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)c(N3CC[NH+](C)CC3)cc2n(C)c1=O	ZINC000408538072	572197100	/nfs/dbraw/zinc/19/71/00/572197100.db2.gz	ITUSQDOKAUTBLA-VKAVYKQESA-N	0	0	523.981	1.861	40	10		KDCBRN
CNc1c(I)cc(C=C2C(=O)NC(=S)NC2=O)cc1I	ZINC000408743351	1066397020	/nfs/dbraw/zinc/39/70/20/1066397020.db2.gz	VTGNGLAOBWQAFW-UHFFFAOYSA-N	0	0	513.098	1.852	40	10		KDCBRN
COc1cc(C=C2C(=O)NC(=S)NC2=O)cc(I)c1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000408878341	1066209671	/nfs/dbraw/zinc/20/96/71/1066209671.db2.gz	ARAVFMFGPRTSBG-UHFFFAOYSA-N	0	0	589.345	1.890	40	10		KDCBRN
COC(=O)COc1c(I)cc(C=C2C(=O)NC(=S)N(C)C2=O)cc1I	ZINC000408908168	1066397468	/nfs/dbraw/zinc/39/74/68/1066397468.db2.gz	BJEVPAOOQZNYQN-FPYGCLRLSA-N	0	0	586.145	1.704	40	10		KDCBRN
CCOC(=O)COc1c(I)cc(C=C2C(=O)NC(=S)N(C)C2=O)cc1OC	ZINC000408913725	1066209629	/nfs/dbraw/zinc/20/96/29/1066209629.db2.gz	NIQQUDJPKAXHAN-BJMVGYQFSA-N	0	0	504.302	1.498	40	10		KDCBRN
COc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Cl)c1OS(=O)(=O)c1ccc(NC(C)=O)cc1	ZINC000408926156	1066397774	/nfs/dbraw/zinc/39/77/74/1066397774.db2.gz	VOUSUHAWBCAGCZ-UHFFFAOYSA-N	0	0	509.949	1.989	40	10		KDCBRN
CCOC(=O)COc1c(I)cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)cc1OC	ZINC000408928237	1066209525	/nfs/dbraw/zinc/20/95/25/1066209525.db2.gz	YAJNMYZABYXHAY-UHFFFAOYSA-N	0	0	502.261	1.676	40	10		KDCBRN
COc1cc(C=C2C(=O)NC(=S)NC2=O)cc(I)c1OS(=O)(=O)c1ccccc1	ZINC000409074890	1066401769	/nfs/dbraw/zinc/40/17/69/1066401769.db2.gz	NUCLOQJZCWNPQZ-UHFFFAOYSA-N	0	0	544.348	1.982	40	10		KDCBRN
Cc1cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)c(C)n1-c1ccc(S(N)(=O)=O)cc1	ZINC000409124688	1066204414	/nfs/dbraw/zinc/20/44/14/1066204414.db2.gz	KDNRCEJHTKBGLV-XDHOZWIPSA-N	0	0	504.590	1.637	40	10		KDCBRN
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(N(C)C)cc3OCC(=O)N3CCOCC3)C2=O)o1	ZINC000409399487	1066404758	/nfs/dbraw/zinc/40/47/58/1066404758.db2.gz	JDZDYGJMUMAPIW-UNOMPAQXSA-N	0	0	512.519	1.463	40	10		KDCBRN
CS(=O)(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N[C@H]3C[C@@H](C(=O)NC[C@H]1O2)N(Cc1ccccc1O)C3	ZINC000514287428	1066394284	/nfs/dbraw/zinc/39/42/84/1066394284.db2.gz	BHUSGHOFKRWPAJ-NPCORKRRSA-N	0	0	572.684	1.129	40	10		KDCBRN
Cn1cc(-c2ccc3c(c2)OCC[C@@H]2CC[C@H](O)[C@@H](CNC(=O)[C@@H]4C[C@@H](CN4Cc4ccccc4O)NC3=O)O2)cn1	ZINC000514287631	1066394657	/nfs/dbraw/zinc/39/46/57/1066394657.db2.gz	RWODQBKDLOMCNQ-RHXAUZQJSA-N	0	0	575.666	1.973	40	10		KDCBRN
COCCN1CCN(C(=O)C[C@@H]2CCN3C[C@@H]2C=CCOc2ccc(N4CCC[C@H]4COC)cc2CNCC3=O)CC1	ZINC000958317604	1066406784	/nfs/dbraw/zinc/40/67/84/1066406784.db2.gz	IJBUCTPSABXJSA-ZEZDXWPOSA-N	0	0	583.774	1.985	40	10		KDCBRN
COC[C@@H]1CCCN1c1ccc2c(c1)CNCC(=O)N1CC[C@@H](CC(=O)NCCN3CCOCC3)[C@@H](C=CCO2)C1	ZINC000958317631	1066407832	/nfs/dbraw/zinc/40/78/32/1066407832.db2.gz	WFSNHRPEEPDJTO-VBOOUTDYSA-N	0	0	569.747	1.643	40	10		KDCBRN
CC(=O)NCCNC(=O)C[C@@H]1CCN2C[C@@H]1C=CCOc1ccc(N(C)CCc3ccccn3)cc1CNCC2=O	ZINC000958317645	1066407760	/nfs/dbraw/zinc/40/77/60/1066407760.db2.gz	GWCPWTHLBZADKO-DQEYMECFSA-N	0	0	562.715	1.906	40	10		KDCBRN
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1CC(N)C(=O)C(C)O1	ZINC001560410186	1066431600	/nfs/dbraw/zinc/43/16/00/1066431600.db2.gz	GUAXQCBVLFZPQY-MCGQKYITSA-N	0	0	540.501	1.205	40	10		KDCBRN