smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1nn(C)cc1[C@@H]1C[C@H](C(=O)Nc2cc(Br)ccc2[O-])N(C)S(=O)(=O)N1	ZINC000057730546	195358885	/nfs/dbraw/zinc/35/88/85/195358885.db2.gz	XFRCIEHHQQFEBH-GXTWGEPZSA-N	-1	3	458.338	1.415	40	0		JDABHM
Cc1nn(C)cc1C1=NS(=O)(=O)N(C)C(C(=O)Nc2cc(Br)ccc2[O-])=C1	ZINC000057742087	195359222	/nfs/dbraw/zinc/35/92/22/195359222.db2.gz	FWUMTPHYGUCEDQ-UHFFFAOYSA-N	-1	3	454.306	1.699	40	0		JDABHM
Cc1c(C2=NS(=O)(=O)N(C)C(C(=O)Nc3cc(Br)ccc3[O-])=C2)cnn1C	ZINC000057742056	195359260	/nfs/dbraw/zinc/35/92/60/195359260.db2.gz	RAXYAEUHHCXXDS-UHFFFAOYSA-N	-1	3	454.306	1.699	40	0		JDABHM
CS(=O)(=O)[N-]c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1Cl	ZINC000044903745	525216834	/nfs/dbraw/zinc/21/68/34/525216834.db2.gz	LSEFDKKNZVBKAW-UHFFFAOYSA-N	-1	3	457.961	1.858	40	0		JDABHM
NC(=O)C1CCN(c2nc3c(c(=O)[n-]2)C(C(=O)Nc2cccc(OC(F)(F)F)c2)CC(=O)N3)CC1	ZINC000022610443	526859638	/nfs/dbraw/zinc/85/96/38/526859638.db2.gz	QNXRGNIOZOIQAJ-CYBMUJFWSA-N	-1	3	494.430	1.435	40	0		JDABHM
N[C@H](CCC(=O)OCc1ccccc1)C(=O)N[C@@H](CCC(=O)OCc1ccccc1)C(=O)[O-]	ZINC000005957673	527384707	/nfs/dbraw/zinc/38/47/07/527384707.db2.gz	BCTGJPYINPEJTQ-UXHICEINSA-N	-1	3	456.495	1.930	40	0		JDABHM
CC(=O)OC[C@@H]1O[C@H](Oc2ccc(C(C)=O)c([O-])c2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000008844366	554741375	/nfs/dbraw/zinc/74/13/75/554741375.db2.gz	MZXXWNWABKHVLS-POHUPDAJSA-N	-1	3	482.438	1.057	40	0		JDABHM
Cc1cc([N-]C(=O)[C@@H](C)OC(=O)c2cccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)c2)on1	ZINC000011000311	555751984	/nfs/dbraw/zinc/75/19/84/555751984.db2.gz	QYXUFYUWHZKCOF-RBSFLKMASA-N	-1	3	451.501	1.965	40	0		JDABHM
C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000033546634	569627672	/nfs/dbraw/zinc/62/76/72/569627672.db2.gz	GKLXNGVNTYKNHY-SECBINFHSA-N	-1	3	452.341	1.946	40	0		JDABHM
CCOC(=O)C1CCN(c2nc3c(c(=O)[n-]2)C(C(=O)Nc2ccc4c(c2)OCCO4)CC(=O)N3)CC1	ZINC000038828232	569808215	/nfs/dbraw/zinc/80/82/15/569808215.db2.gz	GRZHPOBIEKVUML-OAHLLOKOSA-N	-1	3	497.508	1.385	40	0		JDABHM
CCOC(=O)C1CCN(c2nc3c(c(=O)[n-]2)C(C(=O)Nc2cc(OC)ccc2OC)CC(=O)N3)CC1	ZINC000038828303	569808304	/nfs/dbraw/zinc/80/83/04/569808304.db2.gz	CJCGOBNMAJWQOY-OAHLLOKOSA-N	-1	3	499.524	1.631	40	0		JDABHM
CCOC(=O)C1CCN(c2nc3c(c(=O)[n-]2)C(C(=O)Nc2cc(OC)ccc2OC)CC(=O)N3)CC1	ZINC000038828301	569808361	/nfs/dbraw/zinc/80/83/61/569808361.db2.gz	CJCGOBNMAJWQOY-HNNXBMFYSA-N	-1	3	499.524	1.631	40	0		JDABHM
Cc1cc(NC(=O)COC(=O)[C@@H]2CC(=O)N([N-]C(=O)c3ccc(Cl)cc3Cl)C2)no1	ZINC000138900433	569866657	/nfs/dbraw/zinc/86/66/57/569866657.db2.gz	LUIMBSDYFOGHQI-SNVBAGLBSA-N	-1	3	455.254	1.965	40	0		JDABHM
COc1cccc(OC)c1C(=O)[N-]N1C[C@@H](C(=O)OCC(=O)Nc2cc(C)ccc2C)CC1=O	ZINC000139010097	569866806	/nfs/dbraw/zinc/86/68/06/569866806.db2.gz	ZEPPXEAMZBBKLK-INIZCTEOSA-N	-1	3	469.494	1.996	40	0		JDABHM
C[C@H](Nc1cc([N-]S(=O)(=O)N2CCC2)nc(SCc2cccc(F)c2F)n1)[C@H](O)CO	ZINC000165057239	569867985	/nfs/dbraw/zinc/86/79/85/569867985.db2.gz	QVKPEMXUBULFBM-SMDDNHRTSA-N	-1	3	475.543	1.563	40	0		JDABHM
COc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCCCN3CCOCC3)cc2)c1	ZINC000408601041	569968906	/nfs/dbraw/zinc/96/89/06/569968906.db2.gz	DULVBLBHMMKASB-UHFFFAOYSA-N	-1	3	463.556	1.713	40	0		JDABHM
COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCCCN3CCOCC3)cc2)cc1	ZINC000408589432	570208748	/nfs/dbraw/zinc/20/87/48/570208748.db2.gz	FPDJTADKSCUIBW-UHFFFAOYSA-N	-1	3	463.556	1.713	40	0		JDABHM
CNC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](SC(N)=C4C(=O)Oc5cc([O-])ccc5[C@H]43)C2=O)cc1	ZINC000095474711	521832710	/nfs/dbraw/zinc/83/27/10/521832710.db2.gz	VNUCRUYLVNNXTM-ZOBUZTSGSA-N	-1	3	451.460	1.230	40	0		JDABHM
COC(=O)c1cc(NC(=O)C2CC(=O)Nc3nc(N4CCC(C)CC4)[n-]c(=O)c32)cc(C(=O)OC)c1	ZINC000022610324	521888055	/nfs/dbraw/zinc/88/80/55/521888055.db2.gz	GEOMRQPEONWNLD-INIZCTEOSA-N	-1	3	497.508	1.644	40	0		JDABHM
COc1cc(NC(=O)C2CC(=O)Nc3nc(N4CCCCC4)[n-]c(=O)c32)cc(OC)c1OC	ZINC000022609915	522707383	/nfs/dbraw/zinc/70/73/83/522707383.db2.gz	ZZPVECWTNSNEQE-CYBMUJFWSA-N	-1	3	457.487	1.851	40	0		JDABHM
CS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1Cl	ZINC000020486610	525218681	/nfs/dbraw/zinc/21/86/81/525218681.db2.gz	LBFIJXIAOONPEU-UHFFFAOYSA-N	-1	3	473.960	1.985	40	0		JDABHM
Cc1nc(C)c(C(=O)Nc2cccc3c2C(=O)NC3=O)cc1C(=O)Nc1cccc2c1C(=O)[N-]C2=O	ZINC000005808801	526704494	/nfs/dbraw/zinc/70/44/94/526704494.db2.gz	WYTKVPXXEUURGN-UHFFFAOYSA-N	-1	3	483.440	1.970	40	0		JDABHM
N[C@H](CCC(=O)OCc1ccccc1)C(=O)N[C@H](CCC(=O)OCc1ccccc1)C(=O)[O-]	ZINC000005957676	527384112	/nfs/dbraw/zinc/38/41/12/527384112.db2.gz	BCTGJPYINPEJTQ-WOJBJXKFSA-N	-1	3	456.495	1.930	40	0		JDABHM
COc1ccc(C(=O)OCCN(CCOC(=O)c2ccc(OC)cc2)c2c[nH]c(=O)[n-]c2=O)cc1	ZINC000004946057	554483506	/nfs/dbraw/zinc/48/35/06/554483506.db2.gz	OVXOLUUKVVWGDF-UHFFFAOYSA-N	-1	3	483.477	1.601	40	0		JDABHM
CN(Cc1cn([C@H]2CO[C@H]3[C@@H]2OC[C@@H]3[N-]S(=O)(=O)Cc2ccccc2)nn1)Cc1ccccc1	ZINC000005399546	554490381	/nfs/dbraw/zinc/49/03/81/554490381.db2.gz	WYNZSGKGZSMFSH-CJRSTVEYSA-N	-1	3	483.594	1.737	40	0	biogenic,in-vitro	JDABHM
CC1=C(C(=O)Nc2cccc3c2C(=O)[N-]C3=O)CC(C(=O)Nc2cccc3c2C(=O)NC3=O)=C(C)N1	ZINC000005724379	554493214	/nfs/dbraw/zinc/49/32/14/554493214.db2.gz	ROTPTPMNOFUSHM-UHFFFAOYSA-N	-1	3	485.456	1.572	40	0		JDABHM
CCN(CC)S(=O)(=O)c1ccc(CCNS(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2)cc1	ZINC000022228029	555886973	/nfs/dbraw/zinc/88/69/73/555886973.db2.gz	AKLBVIVTEUWFHX-UHFFFAOYSA-N	-1	3	489.641	1.610	40	0		JDABHM
CS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1	ZINC000022228020	555886997	/nfs/dbraw/zinc/88/69/97/555886997.db2.gz	ZXOBIVMQHVAUPW-UHFFFAOYSA-N	-1	3	487.625	1.364	40	0		JDABHM
CC(C)C[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-])C(C)C	ZINC000015721920	555956212	/nfs/dbraw/zinc/95/62/12/555956212.db2.gz	ROYAAVOKOANBIB-CMOCDZPBSA-N	-1	3	490.645	1.844	40	0		JDABHM
O=C(NC[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1N1CCN(c2cccc(C(F)(F)F)c2)CC1)c1cccc([O-])c1	ZINC000049597231	560083815	/nfs/dbraw/zinc/08/38/15/560083815.db2.gz	HLQLJLBPJFFMSF-CLAROIROSA-N	-1	3	495.498	1.452	40	0	biogenic,in-vitro	JDABHM
COc1ccc(N2C(=O)[C@H]3SC(N)=C4C(=O)Oc5cc([O-])ccc5[C@H]4[C@H]3C2=O)cc1OC	ZINC000079478577	569707433	/nfs/dbraw/zinc/70/74/33/569707433.db2.gz	XCAGESCLQNEERK-JZXOWHBKSA-N	-1	3	454.460	1.887	40	0		JDABHM
C[C@H](Nc1cc([N-]S(=O)(=O)N2CCC2)nc(SCc2cccc(F)c2F)n1)[C@@H](O)CO	ZINC000095641942	569728372	/nfs/dbraw/zinc/72/83/72/569728372.db2.gz	QVKPEMXUBULFBM-FZMZJTMJSA-N	-1	3	475.543	1.563	40	0		JDABHM
O=C(Nc1cccc(OC(F)(F)F)c1)C1CC(=O)Nc2nc(N3CCOCC3)[n-]c(=O)c21	ZINC000038828121	569808018	/nfs/dbraw/zinc/80/80/18/569808018.db2.gz	WTCZTMWMUYBTTC-GFCCVEGCSA-N	-1	3	453.377	1.570	40	0		JDABHM
CCOC(=O)C1CCN(c2nc3c(c(=O)[n-]2)C(C(=O)Nc2ccccc2C)CC(=O)N3)CC1	ZINC000038828240	569808254	/nfs/dbraw/zinc/80/82/54/569808254.db2.gz	CFISGLQQZWPLQX-OAHLLOKOSA-N	-1	3	453.499	1.922	40	0		JDABHM
CCOC(=O)C1CCN(c2nc3c(c(=O)[n-]2)C(C(=O)Nc2ccc4c(c2)OCO4)CC(=O)N3)CC1	ZINC000038828228	569808290	/nfs/dbraw/zinc/80/82/90/569808290.db2.gz	GTGQYTJSQVFRJK-CQSZACIVSA-N	-1	3	483.481	1.343	40	0		JDABHM
CCOC(=O)C1CCN(c2nc3c(c(=O)[n-]2)C(C(=O)Nc2cccc(OC)c2)CC(=O)N3)CC1	ZINC000038828218	569808314	/nfs/dbraw/zinc/80/83/14/569808314.db2.gz	HRFNGOZYQBHTQZ-MRXNPFEDSA-N	-1	3	469.498	1.623	40	0		JDABHM
COc1cccc(OC)c1C(=O)[N-]N1C[C@H](C(=O)OCC(=O)Nc2ccc(NC(C)=O)cc2)CC1=O	ZINC000138894012	569866610	/nfs/dbraw/zinc/86/66/10/569866610.db2.gz	UWYIDUYPLMFPRG-OAHLLOKOSA-N	-1	3	498.492	1.337	40	0		JDABHM
COC(=O)c1cc(NC(=O)C2CC(=O)Nc3nc(N4CCC[C@@H](C)C4)[n-]c(=O)c32)cc(C(=O)OC)c1	ZINC000139084861	569867031	/nfs/dbraw/zinc/86/70/31/569867031.db2.gz	MJGDYCMWHKAJIQ-MLGOLLRUSA-N	-1	3	497.508	1.644	40	0		JDABHM
O=C(CN1C(=O)S/C(=C/c2ccc([O-])c(I)c2)C1=O)N1CCOCC1	ZINC000214671666	569876842	/nfs/dbraw/zinc/87/68/42/569876842.db2.gz	CKVQVWMZTJUVET-MDWZMJQESA-N	-1	3	474.276	1.892	40	0		JDABHM
COc1ccc(S(=O)(=O)[N-]c2ccc(N3CCN(C)CC3)cc2)cc1N1C(=O)CCC1=O	ZINC000224009813	569930304	/nfs/dbraw/zinc/93/03/04/569930304.db2.gz	RDQDFNPYXUDQBS-UHFFFAOYSA-N	-1	3	458.540	1.901	40	0		JDABHM
CS(=O)(=O)[N-]c1ccc(C(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1	ZINC000224299084	569939651	/nfs/dbraw/zinc/93/96/51/569939651.db2.gz	IERVWWJGOCGKQF-UHFFFAOYSA-N	-1	3	467.569	1.651	40	0		JDABHM
COc1ccc(Cl)cc1S(=O)(=O)[N-]CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000224497851	569946374	/nfs/dbraw/zinc/94/63/74/569946374.db2.gz	VXABHYFEMDMBRR-UHFFFAOYSA-N	-1	3	490.987	1.727	40	0		JDABHM
O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)NCCN1CCOCC1	ZINC000408594815	569965768	/nfs/dbraw/zinc/96/57/68/569965768.db2.gz	QVCDUFOEIUONAQ-UHFFFAOYSA-N	-1	3	453.948	1.968	40	0		JDABHM
COc1cccc(OC)c1C(=O)[N-]N1C[C@@H](C(=O)OCC(=O)Nc2ccc(C)c(C)c2)CC1=O	ZINC000408652627	569994967	/nfs/dbraw/zinc/99/49/67/569994967.db2.gz	GGHMWXPOLKSDSA-INIZCTEOSA-N	-1	3	469.494	1.996	40	0		JDABHM
COc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N([N-]C(=O)c3c(OC)cccc3OC)C2)cc1	ZINC000408653613	569995555	/nfs/dbraw/zinc/99/55/55/569995555.db2.gz	JAQNKZHEKFKGDQ-AWEZNQCLSA-N	-1	3	471.466	1.388	40	0		JDABHM
COc1cccc(OC)c1C(=O)[N-]N1C[C@H](C(=O)OCC(=O)Nc2cccc(C)c2)CC1=O	ZINC000408653616	569995633	/nfs/dbraw/zinc/99/56/33/569995633.db2.gz	JASDPNIHOMGBKM-OAHLLOKOSA-N	-1	3	455.467	1.687	40	0		JDABHM
COc1cccc(OC)c1C(=O)[N-]N1C[C@H](C(=O)OCC(=O)N[C@H](C)c2ccccc2)CC1=O	ZINC000408659394	569999543	/nfs/dbraw/zinc/99/95/43/569999543.db2.gz	SGZLNMWDJHCYGK-NVXWUHKLSA-N	-1	3	469.494	1.618	40	0		JDABHM
COc1cccc(OC)c1C(=O)[N-]N1C[C@@H](C(=O)OCC(=O)N[C@@H](C)c2ccccc2)CC1=O	ZINC000408659396	569999551	/nfs/dbraw/zinc/99/95/51/569999551.db2.gz	SGZLNMWDJHCYGK-RDJZCZTQSA-N	-1	3	469.494	1.618	40	0		JDABHM
COc1cccc(OC)c1C(=O)[N-]N1C[C@H](C(=O)OCC(=O)N[C@@H](C)c2ccccc2)CC1=O	ZINC000408659392	569999554	/nfs/dbraw/zinc/99/95/54/569999554.db2.gz	SGZLNMWDJHCYGK-DOTOQJQBSA-N	-1	3	469.494	1.618	40	0		JDABHM
CCc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N([N-]C(=O)c3c(OC)cccc3OC)C2)cc1	ZINC000408659974	569999857	/nfs/dbraw/zinc/99/98/57/569999857.db2.gz	UFFJFQRXOVWQKE-MRXNPFEDSA-N	-1	3	469.494	1.941	40	0		JDABHM
C[C@]1(O)CC2(CCN(C(=O)c3cccc(Cn4ccnc4)c3)CC2)OC[C@@H]1n1cc(F)c(=O)[n-]c1=O	ZINC000257229079	570116729	/nfs/dbraw/zinc/11/67/29/570116729.db2.gz	FWPSBHNEPBQOND-RDPSFJRHSA-N	-1	3	497.527	1.720	40	0		JDABHM
C[C@@]1(O)CC2(CCN(C(=O)c3ccc4[nH]cnc4c3)CC2)OC[C@H]1n1cc(F)c(=O)[n-]c1=O	ZINC000257257990	570125683	/nfs/dbraw/zinc/12/56/83/570125683.db2.gz	KRXUKMCVANEBFH-DYESRHJHSA-N	-1	3	457.462	1.352	40	0		JDABHM
CC(=O)N1CCCN(CC[C@H]2CN(S(=O)(=O)c3ccccc3)CC[C@H]2CC(=O)[O-])CC1	ZINC000012481115	519525953	/nfs/dbraw/zinc/52/59/53/519525953.db2.gz	ZANVIQYSPSVSKY-PMACEKPBSA-N	-1	3	451.589	1.732	40	0	biogenic,in-vitro	JDABHM
COCC(=O)N1CC[C@@H](CC(=O)[O-])[C@@H](CCN2CCC(n3c(=O)[nH]c4ccccc43)CC2)C1	ZINC000020463343	522751254	/nfs/dbraw/zinc/75/12/54/522751254.db2.gz	JSENZEYAEUFQEB-ROUUACIJSA-N	-1	3	458.559	1.942	40	0	biogenic,in-vitro	JDABHM
NC(=O)C1CCN(c2nc3c(c(=O)[n-]2)C(C(=O)Nc2cccc(OC(F)(F)F)c2)CC(=O)N3)CC1	ZINC000022610445	526858806	/nfs/dbraw/zinc/85/88/06/526858806.db2.gz	QNXRGNIOZOIQAJ-ZDUSSCGKSA-N	-1	3	494.430	1.435	40	0		JDABHM
N[C@@H](CCC(=O)OCc1ccccc1)C(=O)N[C@@H](CCC(=O)OCc1ccccc1)C(=O)[O-]	ZINC000005957672	527329195	/nfs/dbraw/zinc/32/91/95/527329195.db2.gz	BCTGJPYINPEJTQ-PMACEKPBSA-N	-1	3	456.495	1.930	40	0		JDABHM
CS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c(Cl)c1	ZINC000019931675	555549246	/nfs/dbraw/zinc/54/92/46/555549246.db2.gz	BBGIHLINUHWUDC-UHFFFAOYSA-N	-1	3	473.960	1.985	40	0		JDABHM
COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)N(C)C)CC3)cc2)cc1	ZINC000010315027	555681253	/nfs/dbraw/zinc/68/12/53/555681253.db2.gz	YBBQTJQNHDGAJT-UHFFFAOYSA-N	-1	3	496.611	1.953	40	0		JDABHM
CC(=O)OC[C@@H]1O[C@H](Oc2ccc(C(C)=O)c([O-])c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000011666940	555797515	/nfs/dbraw/zinc/79/75/15/555797515.db2.gz	MZXXWNWABKHVLS-WIYBCGNWSA-N	-1	3	482.438	1.057	40	0		JDABHM
CC(=O)OC[C@H]1O[C@@H](Oc2ccc(C(C)=O)c([O-])c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000011666939	555797599	/nfs/dbraw/zinc/79/75/99/555797599.db2.gz	MZXXWNWABKHVLS-LXHROKJGSA-N	-1	3	482.438	1.057	40	0		JDABHM
Cc1ccc(Cn2ccsc2=NC(=O)COC(=O)Cn2[n-]c(=O)c3ccccc3c2=O)cc1	ZINC000013097062	556292708	/nfs/dbraw/zinc/29/27/08/556292708.db2.gz	GMGCGKXUMMTMDF-WCWDXBQESA-N	-1	3	464.503	1.580	40	0		JDABHM
C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000033546635	569627607	/nfs/dbraw/zinc/62/76/07/569627607.db2.gz	GKLXNGVNTYKNHY-VIFPVBQESA-N	-1	3	452.341	1.946	40	0		JDABHM
COc1ccc(OC)c(N2C(=O)[C@H]3SC(N)=C4C(=O)Oc5cc([O-])ccc5[C@H]4[C@H]3C2=O)c1	ZINC000079486118	569707537	/nfs/dbraw/zinc/70/75/37/569707537.db2.gz	YVAISEJIQGBIRF-JZXOWHBKSA-N	-1	3	454.460	1.887	40	0		JDABHM
CNC(=O)c1ccc(N2C(=O)[C@H]3SC(N)=C4C(=O)Oc5cc([O-])ccc5[C@@H]4[C@H]3C2=O)cc1	ZINC000101372213	569794644	/nfs/dbraw/zinc/79/46/44/569794644.db2.gz	VNUCRUYLVNNXTM-INMHGKMJSA-N	-1	3	451.460	1.230	40	0		JDABHM
COc1cc(OC)cc(N2C(=O)[C@H]3SC(N)=C4C(=O)Oc5cc([O-])ccc5[C@@H]4[C@H]3C2=O)c1	ZINC000101408362	569797093	/nfs/dbraw/zinc/79/70/93/569797093.db2.gz	GPLSOXZLBIFSLX-NUJGCVRESA-N	-1	3	454.460	1.887	40	0		JDABHM
COc1ccc(N2C(=O)[C@@H]3[C@H](SC(N)=C4C(=O)Oc5cc([O-])ccc5[C@@H]43)C2=O)cc1OC	ZINC000101410945	569797286	/nfs/dbraw/zinc/79/72/86/569797286.db2.gz	XCAGESCLQNEERK-RYRKJORJSA-N	-1	3	454.460	1.887	40	0		JDABHM
CS(=O)(=O)[N-]c1ccc(Cl)c(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1	ZINC000038757175	569807504	/nfs/dbraw/zinc/80/75/04/569807504.db2.gz	XXLJUGBPKNCCKD-UHFFFAOYSA-N	-1	3	473.960	1.985	40	0		JDABHM
COC(=O)c1cc(NC(=O)C2CC(=O)Nc3nc(N4CCC[C@H](C)C4)[n-]c(=O)c32)cc(C(=O)OC)c1	ZINC000040388939	569824682	/nfs/dbraw/zinc/82/46/82/569824682.db2.gz	MJGDYCMWHKAJIQ-LRDDRELGSA-N	-1	3	497.508	1.644	40	0		JDABHM
COc1cccc(OC)c1C(=O)[N-]N1C[C@@H](C(=O)OCC(=O)Nc2ccc(F)cc2)CC1=O	ZINC000138694028	569866248	/nfs/dbraw/zinc/86/62/48/569866248.db2.gz	ZMTCJDWMVGRMIY-ZDUSSCGKSA-N	-1	3	459.430	1.518	40	0		JDABHM
COc1cccc(OC)c1C(=O)[N-]N1C[C@@H](C(=O)OCC(=O)Nc2ccc(NC(C)=O)cc2)CC1=O	ZINC000138894116	569866595	/nfs/dbraw/zinc/86/65/95/569866595.db2.gz	UWYIDUYPLMFPRG-HNNXBMFYSA-N	-1	3	498.492	1.337	40	0		JDABHM
COC(=O)c1cc(NC(=O)C2CC(=O)Nc3nc(N4CCCC[C@H]4C)[n-]c(=O)c32)cc(C(=O)OC)c1	ZINC000139104978	569867147	/nfs/dbraw/zinc/86/71/47/569867147.db2.gz	FNDPIKOJVVRQAP-MLGOLLRUSA-N	-1	3	497.508	1.786	40	0		JDABHM
CS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCCSc2n[nH]c(-c3ccccc3)n2)cc1	ZINC000223019776	569896947	/nfs/dbraw/zinc/89/69/47/569896947.db2.gz	AKZBKTCUJQZAHO-UHFFFAOYSA-N	-1	3	453.571	1.914	40	0		JDABHM
CCOc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N([N-]C(=O)c3c(OC)cccc3OC)C2)cc1	ZINC000408652201	569994804	/nfs/dbraw/zinc/99/48/04/569994804.db2.gz	FTBMLBNRMYAHIM-OAHLLOKOSA-N	-1	3	485.493	1.778	40	0		JDABHM
COc1cccc(OC)c1C(=O)[N-]N1C[C@@H](C(=O)OCC(=O)Nc2ccccc2C)CC1=O	ZINC000408654043	569995964	/nfs/dbraw/zinc/99/59/64/569995964.db2.gz	JFDXDDVHHPSWGM-HNNXBMFYSA-N	-1	3	455.467	1.687	40	0		JDABHM
COc1cccc(OC)c1C(=O)[N-]N1C[C@H](C(=O)OCC(=O)Nc2ccccc2C)CC1=O	ZINC000408654044	569995968	/nfs/dbraw/zinc/99/59/68/569995968.db2.gz	JFDXDDVHHPSWGM-OAHLLOKOSA-N	-1	3	455.467	1.687	40	0		JDABHM
COc1cccc(NC(=O)COC(=O)[C@H]2CC(=O)N([N-]C(=O)c3c(OC)cccc3OC)C2)c1	ZINC000408654578	569996270	/nfs/dbraw/zinc/99/62/70/569996270.db2.gz	KJKBTRPLFBRHAR-AWEZNQCLSA-N	-1	3	471.466	1.388	40	0		JDABHM
COc1cccc(NC(=O)COC(=O)[C@@H]2CC(=O)N([N-]C(=O)c3c(OC)cccc3OC)C2)c1	ZINC000408654580	569996343	/nfs/dbraw/zinc/99/63/43/569996343.db2.gz	KJKBTRPLFBRHAR-CQSZACIVSA-N	-1	3	471.466	1.388	40	0		JDABHM
COc1cccc(OC)c1C(=O)[N-]N1C[C@H](C(=O)OCC(=O)Nc2cc(C)cc(C)c2)CC1=O	ZINC000408658317	569998876	/nfs/dbraw/zinc/99/88/76/569998876.db2.gz	QVBOUMQAJDOBQW-MRXNPFEDSA-N	-1	3	469.494	1.996	40	0		JDABHM
CCOc1ccccc1NC(=O)COC(=O)[C@@H]1CC(=O)N([N-]C(=O)c2c(OC)cccc2OC)C1	ZINC000408658373	569998892	/nfs/dbraw/zinc/99/88/92/569998892.db2.gz	RESOQRQOIQRSLE-OAHLLOKOSA-N	-1	3	485.493	1.778	40	0		JDABHM
CCc1ccccc1NC(=O)COC(=O)[C@@H]1CC(=O)N([N-]C(=O)c2c(OC)cccc2OC)C1	ZINC000408660026	570000030	/nfs/dbraw/zinc/00/00/30/570000030.db2.gz	UITXRGOVXIHHEM-MRXNPFEDSA-N	-1	3	469.494	1.941	40	0		JDABHM
COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCCN3CCOCC3)c(C)c2)cc1	ZINC000408675110	570009970	/nfs/dbraw/zinc/00/99/70/570009970.db2.gz	RWXVHRZGIXSLBF-UHFFFAOYSA-N	-1	3	463.556	1.632	40	0		JDABHM
Cc1cc(=O)[n-]c(-c2cccc(NC(=O)COc3ccc(S(=O)(=O)N4CCOCC4)cc3)c2)n1	ZINC000226076974	570036272	/nfs/dbraw/zinc/03/62/72/570036272.db2.gz	USJWTEZJZCHOJC-UHFFFAOYSA-N	-1	3	484.534	1.784	40	0		JDABHM
CC(=O)OC[C@@H]1O[C@H](Oc2ccc(C(=O)Cc3cscn3)c([O-])c2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000240122487	570052919	/nfs/dbraw/zinc/05/29/19/570052919.db2.gz	WAEKSZJQJUDRCQ-LJXDPWEESA-N	-1	3	565.553	1.736	40	0		JDABHM
COc1cc(Br)cc(C(=O)N[C@@H]2CCC[C@@H](N3CCN(C(C)=O)CC3)[C@@H]2O)c1[O-]	ZINC000257212201	570111741	/nfs/dbraw/zinc/11/17/41/570111741.db2.gz	CCIHFHBIUGQREL-GPMSIDNRSA-N	-1	3	470.364	1.339	40	0		JDABHM
CC1(C)[C@@H]2C[C@H]1[C@@]1(O)[C@@H](C2)Oc2c(ccc([O-])c2C(=O)NCCN2C(=O)CSC2=O)[C@@H]1O	ZINC000257213196	570112097	/nfs/dbraw/zinc/11/20/97/570112097.db2.gz	CGNQXNYKURWTNL-MKVHLCPKSA-N	-1	3	462.524	1.409	40	0		JDABHM
Cc1cc(=O)[n-]c(NC(=O)CN2CC[C@H]3NC(=O)COc4ccccc4C/C=C/C[C@H]3C2)n1	ZINC000257227995	570116465	/nfs/dbraw/zinc/11/64/65/570116465.db2.gz	FRXFTBRUGYOMLE-WTJLDUFHSA-N	-1	3	451.527	1.817	40	0		JDABHM
Cc1nc2cc(CCC(=O)N3CCC4(CC3)C[C@@](C)(O)[C@H](n3cc(F)c(=O)[n-]c3=O)CO4)ccc2[nH]1	ZINC000257236483	570119035	/nfs/dbraw/zinc/11/90/35/570119035.db2.gz	HCJZPRMTCINVGO-HYBUGGRVSA-N	-1	3	499.543	1.979	40	0		JDABHM
Cc1nc2ccc(CCC(=O)N3CCC4(CC3)C[C@@](C)(O)[C@H](n3cc(F)c(=O)[n-]c3=O)CO4)cc2[nH]1	ZINC000257236483	570119037	/nfs/dbraw/zinc/11/90/37/570119037.db2.gz	HCJZPRMTCINVGO-HYBUGGRVSA-N	-1	3	499.543	1.979	40	0		JDABHM
COc1ccccc1CN1CCCc2c(C)nc([C@@H]3CCCN3C(=O)CN3CC(=O)[N-]C3=O)nc21	ZINC000257268269	570129163	/nfs/dbraw/zinc/12/91/63/570129163.db2.gz	MKXZEWRVJOBQTC-IBGZPJMESA-N	-1	3	478.553	1.962	40	0		JDABHM
COc1cc(Br)cc(C(=O)N[C@@H]2CCCC[C@@H](N3CCN(C(C)=O)CC3)[C@@H]2O)c1[O-]	ZINC000257288645	570135140	/nfs/dbraw/zinc/13/51/40/570135140.db2.gz	PVBMBKRTSNEGDM-MBOZVWFJSA-N	-1	3	484.391	1.729	40	0		JDABHM
C[C@@]1(O)CC2(CCN(C(=O)CCn3cnc4ccccc43)CC2)OC[C@H]1n1cc(F)c(=O)[n-]c1=O	ZINC000257315264	570143064	/nfs/dbraw/zinc/14/30/64/570143064.db2.gz	VAOKEQHIKZPYEQ-AUSIDOKSSA-N	-1	3	485.516	1.602	40	0		JDABHM
CN(C)C(=O)N1CCN(C(=O)c2c([O-])ccc3c2O[C@@H]2C[C@H]4C[C@H](C4(C)C)[C@]2(O)[C@H]3O)CC1	ZINC000257345042	570151963	/nfs/dbraw/zinc/15/19/63/570151963.db2.gz	ZZSFJGAJLXTCHB-HLVXHJOFSA-N	-1	3	459.543	1.423	40	0		JDABHM
CCN(CC)c1nc(N(CC)CC)[n-]c(=NNS(=O)(=O)c2ccc(NC(C)=O)cc2)n1	ZINC000008615725	520928454	/nfs/dbraw/zinc/92/84/54/520928454.db2.gz	NOPSBMXBUVPVNY-UHFFFAOYSA-N	-1	3	450.569	1.828	40	0		JDABHM
COc1cc(NC(=O)C2CC(=O)Nc3nc(N4CCCCC4)[n-]c(=O)c32)cc(OC)c1OC	ZINC000022609919	522714681	/nfs/dbraw/zinc/71/46/81/522714681.db2.gz	ZZPVECWTNSNEQE-ZDUSSCGKSA-N	-1	3	457.487	1.851	40	0		JDABHM
COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H]3CCCN(S(=O)(=O)N(C)C)C3)cc2)cc1	ZINC000020455176	524693330	/nfs/dbraw/zinc/69/33/30/524693330.db2.gz	VWMNZRMUWUHOJE-MRXNPFEDSA-N	-1	3	496.611	1.953	40	0		JDABHM
COc1cccc(-c2nnnn2[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3[N-]S(=O)(=O)Cc2ccccc2)c1	ZINC000004270650	525735382	/nfs/dbraw/zinc/73/53/82/525735382.db2.gz	GOJSGKUGNXKBGB-VNTMZGSJSA-N	-1	3	457.512	1.176	40	0	biogenic,in-vitro	JDABHM
CCOC(=O)CC(=O)N1CCC(c2nc3c(nnn3Cc3cccc(Cl)c3)c(=O)[n-]2)CC1	ZINC000013565516	555501986	/nfs/dbraw/zinc/50/19/86/555501986.db2.gz	DMLXGPNJIACULQ-UHFFFAOYSA-N	-1	3	458.906	1.876	40	0		JDABHM
CCOC(=O)CC(=O)N1CCC(c2nc3c(nnn3Cc3ccccc3Cl)c(=O)[n-]2)CC1	ZINC000013565528	555502016	/nfs/dbraw/zinc/50/20/16/555502016.db2.gz	GEYLXFJJZPSOSY-UHFFFAOYSA-N	-1	3	458.906	1.876	40	0		JDABHM
CCCCOC(=O)c1ccc(NC(=O)C2CC(=O)Nc3nc(N4CCOCC4)[n-]c(=O)c32)cc1	ZINC000019961045	555572486	/nfs/dbraw/zinc/57/24/86/555572486.db2.gz	YXOFRVNXQZEBEW-MRXNPFEDSA-N	-1	3	469.498	1.628	40	0		JDABHM
COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](Cc1ccccc1)C(=O)NCCN1CCOCC1	ZINC000020009972	555586003	/nfs/dbraw/zinc/58/60/03/555586003.db2.gz	QSOMYSOYEIUYNV-LJQANCHMSA-N	-1	3	482.002	1.687	40	0		JDABHM
COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)C(=O)NCc1ccc(S(=O)(=O)N(C)C)cc1	ZINC000020031543	555606564	/nfs/dbraw/zinc/60/65/64/555606564.db2.gz	IHDSWBRLWQCCOB-CYBMUJFWSA-N	-1	3	490.003	1.582	40	0		JDABHM
CC(=O)OC[C@H]1O[C@H](Oc2ccc(C(C)=O)c([O-])c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000011666941	555797542	/nfs/dbraw/zinc/79/75/42/555797542.db2.gz	MZXXWNWABKHVLS-AANPDWTMSA-N	-1	3	482.438	1.057	40	0		JDABHM
COc1ccc(CNC(=O)CC[C@H]2CNC(=O)[C@@H]3[C@@H](CCN3Cc3ccc(C(=O)[O-])cc3)N2C)cc1	ZINC000022922939	555976264	/nfs/dbraw/zinc/97/62/64/555976264.db2.gz	VBSLDMLBSZWRDY-PWWKTKHKSA-N	-1	3	494.592	1.863	40	0	biogenic,in-vitro	JDABHM
CCOc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)cc1	ZINC000028498631	556334610	/nfs/dbraw/zinc/33/46/10/556334610.db2.gz	RVYFYOSXNZUFGV-UHFFFAOYSA-N	-1	3	456.542	1.916	40	0		JDABHM
Cc1noc(C)c1S(=O)(=O)[N-][C@@H]1CCC[C@@H](C(=O)N(C)Cc2cccnc2)CC(=O)N(C)C1	ZINC000096113360	560060511	/nfs/dbraw/zinc/06/05/11/560060511.db2.gz	LDOVCKKITLGEOK-RTBURBONSA-N	-1	3	477.587	1.641	40	0	biogenic,in-vitro	JDABHM
C[C@@H](Nc1cc([N-]S(=O)(=O)N2CCC2)nc(SCc2cccc(F)c2F)n1)[C@@H](O)CO	ZINC000068197865	569691167	/nfs/dbraw/zinc/69/11/67/569691167.db2.gz	QVKPEMXUBULFBM-RISCZKNCSA-N	-1	3	475.543	1.563	40	0		JDABHM
COC(=O)c1ccc(OC)c(N2C(=O)[C@@H]3[C@H](SC(N)=C4C(=O)Oc5cc([O-])ccc5[C@H]43)C2=O)c1	ZINC000101363768	569794420	/nfs/dbraw/zinc/79/44/20/569794420.db2.gz	QNECBBMBNLEURK-BQFCYCMXSA-N	-1	3	482.470	1.665	40	0		JDABHM
COc1ccc(OC)c(N2C(=O)[C@@H]3[C@H](SC(N)=C4C(=O)Oc5cc([O-])ccc5[C@H]43)C2=O)c1	ZINC000101409321	569796904	/nfs/dbraw/zinc/79/69/04/569796904.db2.gz	YVAISEJIQGBIRF-BQFCYCMXSA-N	-1	3	454.460	1.887	40	0		JDABHM
COc1cc(OC)cc(N2C(=O)[C@H]3SC(N)=C4C(=O)Oc5cc([O-])ccc5[C@H]4[C@H]3C2=O)c1	ZINC000101408361	569797091	/nfs/dbraw/zinc/79/70/91/569797091.db2.gz	GPLSOXZLBIFSLX-JZXOWHBKSA-N	-1	3	454.460	1.887	40	0		JDABHM
CCOC(=O)C1CCN(c2nc3c(c(=O)[n-]2)C(C(=O)Nc2ccc(NC(C)=O)cc2)CC(=O)N3)CC1	ZINC000038828201	569807988	/nfs/dbraw/zinc/80/79/88/569807988.db2.gz	KAUNOAZRAZUCOY-KRWDZBQOSA-N	-1	3	496.524	1.572	40	0		JDABHM
CCOC(=O)C1CCN(c2nc3c(c(=O)[n-]2)C(C(=O)Nc2ccc(OC)cc2)CC(=O)N3)CC1	ZINC000038828206	569808088	/nfs/dbraw/zinc/80/80/88/569808088.db2.gz	HRGXQPMOTPAMGJ-MRXNPFEDSA-N	-1	3	469.498	1.623	40	0		JDABHM
CCOC(=O)C1CCN(c2nc3c(c(=O)[n-]2)C(C(=O)Nc2ccccc2C)CC(=O)N3)CC1	ZINC000038828238	569808324	/nfs/dbraw/zinc/80/83/24/569808324.db2.gz	CFISGLQQZWPLQX-HNNXBMFYSA-N	-1	3	453.499	1.922	40	0		JDABHM
Cc1ccc(Cn2ccsc2=NC(=O)COC(=O)Cn2[n-]c(=O)c3ccccc3c2=O)cc1	ZINC000103129083	569833117	/nfs/dbraw/zinc/83/31/17/569833117.db2.gz	GMGCGKXUMMTMDF-VHXPQNKSSA-N	-1	3	464.503	1.580	40	0		JDABHM
COc1cccc(OC)c1C(=O)[N-]N1C[C@@H](C(=O)OCC(=O)Nc2cccc(C)c2C)CC1=O	ZINC000138603239	569866030	/nfs/dbraw/zinc/86/60/30/569866030.db2.gz	DDKNNAWEPWNFRA-INIZCTEOSA-N	-1	3	469.494	1.996	40	0		JDABHM
COc1ccccc1NC(=O)COC(=O)[C@H]1CC(=O)N([N-]C(=O)c2c(OC)cccc2OC)C1	ZINC000138734780	569866326	/nfs/dbraw/zinc/86/63/26/569866326.db2.gz	BMFDPUFAYGMSQE-AWEZNQCLSA-N	-1	3	471.466	1.388	40	0		JDABHM
Cc1nn(C)cc1[C@H]1C[C@@H](C(=O)Nc2cc(Br)ccc2[O-])N(C)S(=O)(=O)N1	ZINC000208532027	569875737	/nfs/dbraw/zinc/87/57/37/569875737.db2.gz	XFRCIEHHQQFEBH-OCCSQVGLSA-N	-1	3	458.338	1.415	40	0		JDABHM
COc1ccc(F)cc1S(=O)(=O)[N-]CCOc1ccc(S(=O)(=O)N2CCCC2)cc1	ZINC000224342937	569941266	/nfs/dbraw/zinc/94/12/66/569941266.db2.gz	WNEIZNWYSCVLPA-UHFFFAOYSA-N	-1	3	458.533	1.976	40	0		JDABHM
CC(=O)Nc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N([N-]C(=O)c3ccccc3Cl)C2)cc1	ZINC000408651796	569994495	/nfs/dbraw/zinc/99/44/95/569994495.db2.gz	DZICJJYEJBMTHH-CQSZACIVSA-N	-1	3	472.885	1.974	40	0		JDABHM
COc1cccc(OC)c1C(=O)[N-]N1C[C@H](C(=O)OCC(=O)Nc2ccc(C(C)=O)cc2)CC1=O	ZINC000408651714	569994519	/nfs/dbraw/zinc/99/45/19/569994519.db2.gz	DMXBQHQWCIJWTK-MRXNPFEDSA-N	-1	3	483.477	1.582	40	0		JDABHM
COc1cccc(OC)c1C(=O)[N-]N1C[C@@H](C(=O)OCC(=O)Nc2cccc(C(C)=O)c2)CC1=O	ZINC000408656627	569997734	/nfs/dbraw/zinc/99/77/34/569997734.db2.gz	NPFXYUFNNMFXTQ-INIZCTEOSA-N	-1	3	483.477	1.582	40	0		JDABHM
CCc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N([N-]C(=O)c3c(OC)cccc3OC)C2)cc1	ZINC000408659971	569999907	/nfs/dbraw/zinc/99/99/07/569999907.db2.gz	UFFJFQRXOVWQKE-INIZCTEOSA-N	-1	3	469.494	1.941	40	0		JDABHM
COc1cccc(OC)c1C(=O)[N-]N1C[C@H](C(=O)OCC(=O)Nc2ccc(C)cc2C)CC1=O	ZINC000408660076	569999991	/nfs/dbraw/zinc/99/99/91/569999991.db2.gz	UNLOUEMIXBJCRC-MRXNPFEDSA-N	-1	3	469.494	1.996	40	0		JDABHM
COc1cccc(OC)c1C(=O)[N-]N1C[C@@H](C(=O)OCC(=O)Nc2c(C)cccc2C)CC1=O	ZINC000408662721	570001861	/nfs/dbraw/zinc/00/18/61/570001861.db2.gz	XODWRBDMDKYMGM-INIZCTEOSA-N	-1	3	469.494	1.996	40	0		JDABHM
COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCC(C(N)=O)CC3)c(C)c2)cc1	ZINC000408674575	570009256	/nfs/dbraw/zinc/00/92/56/570009256.db2.gz	BBJKDOAWRBSECG-UHFFFAOYSA-N	-1	3	461.540	1.907	40	0		JDABHM
CNS(=O)(=O)c1ccc(CCC(=O)N2CCC[C@]3(Cc4c([nH]c(=O)[n-]c4=O)O3)CC2)cc1	ZINC000257280386	570132816	/nfs/dbraw/zinc/13/28/16/570132816.db2.gz	OKQDFERQSRIYCK-OAQYLSRUSA-N	-1	3	462.528	1.115	40	0		JDABHM
Cn1cnc2cc(C(=O)N3CCC4(CC3)C[C@@](C)(O)[C@H](n3cc(F)c(=O)[n-]c3=O)CO4)ccc21	ZINC000257286577	570134589	/nfs/dbraw/zinc/13/45/89/570134589.db2.gz	PMBWWEWEWYXCFR-XMSQKQJNSA-N	-1	3	471.489	1.362	40	0		JDABHM
COc1cc(Br)cc(C(=O)N2CC[C@H](n3cnc4c3ncnc4N)[C@@](C)(O)C2)c1[O-]	ZINC000257314838	570142983	/nfs/dbraw/zinc/14/29/83/570142983.db2.gz	UYRHGKUPCVBMDG-DJJJIMSYSA-N	-1	3	477.319	1.723	40	0		JDABHM
O=C(CCCNC(=O)c1cncc([O-])c1)NCC[C@@]12CCCC[C@@H]1c1c([nH]c(=O)[nH]c1=O)O2	ZINC000257329408	570147336	/nfs/dbraw/zinc/14/73/36/570147336.db2.gz	XJWQIFUNDQBNFG-QRQCRPRQSA-N	-1	3	457.487	1.494	40	0		JDABHM
CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCCN3CCOCC3)cc2)cc1	ZINC000408587926	570208481	/nfs/dbraw/zinc/20/84/81/570208481.db2.gz	CRTATEOGNQZNDI-UHFFFAOYSA-N	-1	3	463.556	1.713	40	0		JDABHM
CCOC(=O)CCCn1nnnc1-c1ccc2c(c1)[C@@H](Oc1ccc(=O)[n-]n1)[C@](C)(O)C(C)(C)O2	ZINC000003916953	194366666	/nfs/dbraw/zinc/36/66/66/194366666.db2.gz	NMOVZVDTGJSEMC-OFNKIYASSA-N	-1	3	484.513	1.809	40	0	in-man	JDABHM
COC(=O)c1cc(NC(=O)C2CC(=O)Nc3nc(N4CCCCC4)[n-]c(=O)c32)cc(C(=O)OC)c1	ZINC000022609977	521886035	/nfs/dbraw/zinc/88/60/35/521886035.db2.gz	AJSGTEOZAOCUKB-OAHLLOKOSA-N	-1	3	483.481	1.398	40	0		JDABHM
NC(=O)C1CCN(c2nc3c(c(=O)[n-]2)C(C(=O)Nc2ccc(OC(F)(F)F)cc2)CC(=O)N3)CC1	ZINC000022610430	526859128	/nfs/dbraw/zinc/85/91/28/526859128.db2.gz	VYVUMRVJSUVPRO-ZDUSSCGKSA-N	-1	3	494.430	1.435	40	0		JDABHM
O=S(=O)(Cc1ccccc1)[N-][C@H]1CO[C@H]2[C@@H]1OC[C@@H]2n1nnnc1Oc1ccc2c(c1)OCO2	ZINC000004259801	527197681	/nfs/dbraw/zinc/19/76/81/527197681.db2.gz	MQBBMCVQAKPASB-XAMWDVODSA-N	-1	3	487.494	1.021	40	0	biogenic,in-vitro	JDABHM
N[C@@H](CCC(=O)OCc1ccccc1)C(=O)N[C@H](CCC(=O)OCc1ccccc1)C(=O)[O-]	ZINC000005957675	527328942	/nfs/dbraw/zinc/32/89/42/527328942.db2.gz	BCTGJPYINPEJTQ-VQTJNVASSA-N	-1	3	456.495	1.930	40	0		JDABHM
CN(Cc1cn([C@H]2CO[C@H]3[C@@H]2OC[C@@H]3[N-]S(=O)(=O)c2cccs2)nn1)Cc1ccccc1	ZINC000005399595	554490376	/nfs/dbraw/zinc/49/03/76/554490376.db2.gz	MKHQKVBOUFDPRQ-FMWKFLBASA-N	-1	3	475.596	1.657	40	0	biogenic,in-vitro	JDABHM
CC(=O)OC[C@@H]1O[C@@H](Oc2ccc(C(C)=O)c([O-])c2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000008844369	554741350	/nfs/dbraw/zinc/74/13/50/554741350.db2.gz	MZXXWNWABKHVLS-AHJNKEMKSA-N	-1	3	482.438	1.057	40	0		JDABHM
COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)C(=O)NCc1ccc(S(=O)(=O)N(C)C)cc1	ZINC000020031541	555606556	/nfs/dbraw/zinc/60/65/56/555606556.db2.gz	IHDSWBRLWQCCOB-ZDUSSCGKSA-N	-1	3	490.003	1.582	40	0		JDABHM
CCCS(=O)(=O)[N-][C@H]1CO[C@@H](CN2CCN(c3cccc(C(F)(F)F)c3)CC2)[C@@H]1O	ZINC000514289702	560032075	/nfs/dbraw/zinc/03/20/75/560032075.db2.gz	YUKZRFPSVMYOKD-OKZBNKHCSA-N	-1	3	451.511	1.285	40	0	biogenic,in-vitro	JDABHM
NC1=C2C(=O)Oc3cc([O-])ccc3[C@H]2[C@@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]2S1	ZINC000101374709	569795010	/nfs/dbraw/zinc/79/50/10/569795010.db2.gz	CZVRAYMLVBDFAA-BQFCYCMXSA-N	-1	3	452.444	1.641	40	0		JDABHM
CCOC(=O)C1CCN(c2nc3c(c(=O)[n-]2)C(C(=O)Nc2cccc(C)c2)CC(=O)N3)CC1	ZINC000038828215	569808038	/nfs/dbraw/zinc/80/80/38/569808038.db2.gz	GOCZOMGRVLIENG-INIZCTEOSA-N	-1	3	453.499	1.922	40	0		JDABHM
CCOC(=O)C1CCN(c2nc3c(c(=O)[n-]2)C(C(=O)Nc2cc(C)ccc2OC)CC(=O)N3)CC1	ZINC000038828316	569808227	/nfs/dbraw/zinc/80/82/27/569808227.db2.gz	GZLHXWCLLPIIFP-OAHLLOKOSA-N	-1	3	483.525	1.931	40	0		JDABHM
CCOC(=O)C1CCN(c2nc3c(c(=O)[n-]2)C(C(=O)Nc2ccc4c(c2)OCO4)CC(=O)N3)CC1	ZINC000038828226	569808233	/nfs/dbraw/zinc/80/82/33/569808233.db2.gz	GTGQYTJSQVFRJK-AWEZNQCLSA-N	-1	3	483.481	1.343	40	0		JDABHM
CCOC(=O)C1CCN(c2nc3c(c(=O)[n-]2)C(C(=O)Nc2ccc4c(c2)OCCO4)CC(=O)N3)CC1	ZINC000038828230	569808349	/nfs/dbraw/zinc/80/83/49/569808349.db2.gz	GRZHPOBIEKVUML-HNNXBMFYSA-N	-1	3	497.508	1.385	40	0		JDABHM
COC(=O)c1cc(NC(=O)C2CC(=O)Nc3nc(N4CCC[C@@H](C)C4)[n-]c(=O)c32)cc(C(=O)OC)c1	ZINC000040388937	569824723	/nfs/dbraw/zinc/82/47/23/569824723.db2.gz	MJGDYCMWHKAJIQ-WBMJQRKESA-N	-1	3	497.508	1.644	40	0		JDABHM
COC(=O)c1cc(NC(=O)C2CC(=O)Nc3nc(N4CCC[C@H](C)C4)[n-]c(=O)c32)cc(C(=O)OC)c1	ZINC000139084973	569867090	/nfs/dbraw/zinc/86/70/90/569867090.db2.gz	MJGDYCMWHKAJIQ-BLLLJJGKSA-N	-1	3	497.508	1.644	40	0		JDABHM
Cc1c([C@H]2C[C@H](C(=O)Nc3cc(Br)ccc3[O-])N(C)S(=O)(=O)N2)cnn1C	ZINC000208531284	569875759	/nfs/dbraw/zinc/87/57/59/569875759.db2.gz	IMLPXYIYCZEASV-TZMCWYRMSA-N	-1	3	458.338	1.415	40	0		JDABHM
Cc1nn(C)cc1[C@H]1C[C@H](C(=O)Nc2cc(Br)ccc2[O-])N(C)S(=O)(=O)N1	ZINC000208531955	569875774	/nfs/dbraw/zinc/87/57/74/569875774.db2.gz	XFRCIEHHQQFEBH-TZMCWYRMSA-N	-1	3	458.338	1.415	40	0		JDABHM
Cc1c([C@@H]2C[C@@H](C(=O)Nc3cc(Br)ccc3[O-])N(C)S(=O)(=O)N2)cnn1C	ZINC000208531324	569875798	/nfs/dbraw/zinc/87/57/98/569875798.db2.gz	IMLPXYIYCZEASV-JSGCOSHPSA-N	-1	3	458.338	1.415	40	0		JDABHM
CN(C)S(=O)(=O)c1ccc(OCCNC(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)cc1	ZINC000224242780	569937814	/nfs/dbraw/zinc/93/78/14/569937814.db2.gz	SOMBJYCAACUKPH-UHFFFAOYSA-N	-1	3	475.976	1.771	40	0		JDABHM
CCOc1ccccc1NC(=O)COC(=O)[C@H]1CC(=O)N([N-]C(=O)c2c(OC)cccc2OC)C1	ZINC000408658372	569998905	/nfs/dbraw/zinc/99/89/05/569998905.db2.gz	RESOQRQOIQRSLE-HNNXBMFYSA-N	-1	3	485.493	1.778	40	0		JDABHM
COc1cccc(OC)c1C(=O)[N-]N1C[C@H](C(=O)OCC(=O)Nc2c(C)cccc2C)CC1=O	ZINC000408662723	570001895	/nfs/dbraw/zinc/00/18/95/570001895.db2.gz	XODWRBDMDKYMGM-MRXNPFEDSA-N	-1	3	469.494	1.996	40	0		JDABHM
CC(=O)OC[C@@H]1O[C@H](Oc2ccc(C(=O)Cc3cscn3)c([O-])c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000240122486	570052846	/nfs/dbraw/zinc/05/28/46/570052846.db2.gz	WAEKSZJQJUDRCQ-KKGFQHLNSA-N	-1	3	565.553	1.736	40	0		JDABHM
CC(=O)OC[C@@H]1O[C@H](Oc2ccc(C(=O)Cc3cscn3)c([O-])c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000240122485	570052875	/nfs/dbraw/zinc/05/28/75/570052875.db2.gz	WAEKSZJQJUDRCQ-BDUWWWMKSA-N	-1	3	565.553	1.736	40	0		JDABHM
O=C(CCCn1c2ccccc2nc1C(F)(F)F)N1C[C@@H](O)[C@H](n2cc(F)c(=O)[n-]c2=O)C1	ZINC000257243432	570120999	/nfs/dbraw/zinc/12/09/99/570120999.db2.gz	IGXVGORIYYDXPX-HUUCEWRRSA-N	-1	3	469.395	1.681	40	0		JDABHM
Cc1nc2cc(C(=O)N3CCC4(CC3)C[C@@](C)(O)[C@H](n3cc(F)c(=O)[n-]c3=O)CO4)ccc2[nH]1	ZINC000257343824	570151568	/nfs/dbraw/zinc/15/15/68/570151568.db2.gz	ZUOPKAJGFQWEHG-XMSQKQJNSA-N	-1	3	471.489	1.660	40	0		JDABHM
Cc1c([C@@H]2C[C@H](C(=O)Nc3cc(Br)ccc3[O-])N(C)S(=O)(=O)N2)cnn1C	ZINC000057730473	195358929	/nfs/dbraw/zinc/35/89/29/195358929.db2.gz	IMLPXYIYCZEASV-GXTWGEPZSA-N	-1	3	458.338	1.415	40	0		JDABHM
C=C(OCC)c1ccc(NC(=O)C2CC(=O)Nc3nc(N4CCC(C(N)=O)CC4)[n-]c(=O)c32)cc1	ZINC000022610400	518654742	/nfs/dbraw/zinc/65/47/42/518654742.db2.gz	PAKSOHIBNIDEIY-QGZVFWFLSA-N	-1	3	480.525	1.543	40	0		JDABHM
COC(=O)c1cc(NC(=O)C2CC(=O)Nc3nc(N4CCC(C)CC4)[n-]c(=O)c32)cc(C(=O)OC)c1	ZINC000022610322	521886437	/nfs/dbraw/zinc/88/64/37/521886437.db2.gz	GEOMRQPEONWNLD-MRXNPFEDSA-N	-1	3	497.508	1.644	40	0		JDABHM
CN(C)c1cccc(Oc2nnnn2[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3[N-]S(=O)(=O)c2cccs2)c1	ZINC000004147709	522285479	/nfs/dbraw/zinc/28/54/79/522285479.db2.gz	ODVPSGZEJVZQBO-CWLKWCNXSA-N	-1	3	478.556	1.279	40	0	biogenic,in-vitro	JDABHM
COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H]3CCCN(S(=O)(=O)N(C)C)C3)cc2)cc1	ZINC000020455178	524691925	/nfs/dbraw/zinc/69/19/25/524691925.db2.gz	VWMNZRMUWUHOJE-INIZCTEOSA-N	-1	3	496.611	1.953	40	0		JDABHM
CC(=O)OC[C@@H]1O[C@@H](Oc2ccc(C(C)=O)c([O-])c2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000008844367	554741327	/nfs/dbraw/zinc/74/13/27/554741327.db2.gz	MZXXWNWABKHVLS-ZSYZGHEHSA-N	-1	3	482.438	1.057	40	0		JDABHM
CC(=O)OC[C@@H]1O[C@H](Oc2ccc(C(C)=O)c([O-])c2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000008844368	554741377	/nfs/dbraw/zinc/74/13/77/554741377.db2.gz	MZXXWNWABKHVLS-MNVIUDHYSA-N	-1	3	482.438	1.057	40	0		JDABHM
O=c1[n-]c(NC2CCN(Cc3nnnn3Cc3ccc4c(c3)OCO4)CC2)nc2c1CCCC2	ZINC000013564765	555499761	/nfs/dbraw/zinc/49/97/61/555499761.db2.gz	ZRPRMLVMOSQVIQ-UHFFFAOYSA-N	-1	3	464.530	1.489	40	0		JDABHM
Cn1nnnc1SCc1cc(=O)[n-]c(N2CCN(c3cccc(C(F)(F)F)c3)CC2)n1	ZINC000013611737	555534402	/nfs/dbraw/zinc/53/44/02/555534402.db2.gz	OHJKUDJGCXQJST-UHFFFAOYSA-N	-1	3	452.466	1.931	40	0		JDABHM
CCCCOC(=O)c1ccc(NC(=O)C2CC(=O)Nc3nc(N4CCOCC4)[n-]c(=O)c32)cc1	ZINC000019961049	555572421	/nfs/dbraw/zinc/57/24/21/555572421.db2.gz	YXOFRVNXQZEBEW-INIZCTEOSA-N	-1	3	469.498	1.628	40	0		JDABHM
COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](Cc1ccccc1)C(=O)NCCN1CCOCC1	ZINC000020009969	555585942	/nfs/dbraw/zinc/58/59/42/555585942.db2.gz	QSOMYSOYEIUYNV-IBGZPJMESA-N	-1	3	482.002	1.687	40	0		JDABHM
NS(=O)(=O)c1ccc(CNC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)cc1	ZINC000020032594	555607754	/nfs/dbraw/zinc/60/77/54/555607754.db2.gz	FUXJAOXFRJAKKX-UHFFFAOYSA-N	-1	3	493.538	1.969	40	0		JDABHM
CCOc1cc([C@H]2C(C(=O)OC)C(C)=Nc3nnnn32)cc(I)c1[O-]	ZINC000015016832	555858078	/nfs/dbraw/zinc/85/80/78/555858078.db2.gz	VZVCBTUXHLSWKD-LBPRGKRZSA-N	-1	3	457.228	1.844	40	0		JDABHM
O=C(CSc1nnc2n(Cc3ccc(F)cc3)c3ccccc3n12)Nc1c[nH]c(=O)[n-]c1=O	ZINC000013084104	556281475	/nfs/dbraw/zinc/28/14/75/556281475.db2.gz	MNURCAJSTRYKMD-UHFFFAOYSA-N	-1	3	465.470	1.979	40	0		JDABHM
CNC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](SC(N)=C4C(=O)Oc5cc([O-])ccc5[C@@H]43)C2=O)cc1	ZINC000095474712	569724208	/nfs/dbraw/zinc/72/42/08/569724208.db2.gz	VNUCRUYLVNNXTM-VYDXJSESSA-N	-1	3	451.460	1.230	40	0		JDABHM
CCOC(=O)C1CCN(c2nc3c(c(=O)[n-]2)C(C(=O)Nc2ccc(OC)cc2OC)CC(=O)N3)CC1	ZINC000038828343	569808340	/nfs/dbraw/zinc/80/83/40/569808340.db2.gz	UEBRECRUCHEMDE-HNNXBMFYSA-N	-1	3	499.524	1.631	40	0		JDABHM
CCOC(=O)C1CCN(c2nc3c(c(=O)[n-]2)C(C(=O)Nc2cc(C)ccc2OC)CC(=O)N3)CC1	ZINC000038828314	569808346	/nfs/dbraw/zinc/80/83/46/569808346.db2.gz	GZLHXWCLLPIIFP-HNNXBMFYSA-N	-1	3	483.525	1.931	40	0		JDABHM
COC(=O)c1cc(NC(=O)C2CC(=O)Nc3nc(N4CCCC[C@H]4C)[n-]c(=O)c32)cc(C(=O)OC)c1	ZINC000040390373	569824868	/nfs/dbraw/zinc/82/48/68/569824868.db2.gz	FNDPIKOJVVRQAP-WBMJQRKESA-N	-1	3	497.508	1.786	40	0		JDABHM
COC(=O)c1cc(NC(=O)C2CC(=O)Nc3nc(N4CCCC[C@@H]4C)[n-]c(=O)c32)cc(C(=O)OC)c1	ZINC000139105099	569867154	/nfs/dbraw/zinc/86/71/54/569867154.db2.gz	FNDPIKOJVVRQAP-BLLLJJGKSA-N	-1	3	497.508	1.786	40	0		JDABHM
CCOc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N([N-]C(=O)c3c(OC)cccc3OC)C2)cc1	ZINC000408652200	569994816	/nfs/dbraw/zinc/99/48/16/569994816.db2.gz	FTBMLBNRMYAHIM-HNNXBMFYSA-N	-1	3	485.493	1.778	40	0		JDABHM
COC(=O)CSc1nnc([N-]C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2OC)s1	ZINC000225428696	569996375	/nfs/dbraw/zinc/99/63/75/569996375.db2.gz	LDLYQBUTELKVSS-UHFFFAOYSA-N	-1	3	488.569	1.085	40	0		JDABHM
COc1cccc(OC)c1C(=O)[N-]N1C[C@H](C(=O)OCC(=O)Nc2cccc(C(C)=O)c2)CC1=O	ZINC000408656629	569997705	/nfs/dbraw/zinc/99/77/05/569997705.db2.gz	NPFXYUFNNMFXTQ-MRXNPFEDSA-N	-1	3	483.477	1.582	40	0		JDABHM
COc1cccc(OC)c1C(=O)[N-]N1C[C@@H](C(=O)OCC(=O)Nc2ccc(C)cc2)CC1=O	ZINC000408657905	569998627	/nfs/dbraw/zinc/99/86/27/569998627.db2.gz	PUNUSRIPAKAUKD-HNNXBMFYSA-N	-1	3	455.467	1.687	40	0		JDABHM
COc1cccc(OC)c1C(=O)[N-]N1C[C@H](C(=O)OCC(=O)Nc2ccc(C)cc2)CC1=O	ZINC000408657906	569998649	/nfs/dbraw/zinc/99/86/49/569998649.db2.gz	PUNUSRIPAKAUKD-OAHLLOKOSA-N	-1	3	455.467	1.687	40	0		JDABHM
COc1cccc(OC)c1C(=O)[N-]N1C[C@@H](C(=O)OCC(=O)Nc2cc(C)cc(C)c2)CC1=O	ZINC000408658314	569998913	/nfs/dbraw/zinc/99/89/13/569998913.db2.gz	QVBOUMQAJDOBQW-INIZCTEOSA-N	-1	3	469.494	1.996	40	0		JDABHM
COc1cccc(OC)c1C(=O)[N-]N1C[C@@H](C(=O)OCC(=O)N[C@H](C)c2ccccc2)CC1=O	ZINC000408659398	569999537	/nfs/dbraw/zinc/99/95/37/569999537.db2.gz	SGZLNMWDJHCYGK-WBVHZDCISA-N	-1	3	469.494	1.618	40	0		JDABHM
CCc1ccccc1NC(=O)COC(=O)[C@H]1CC(=O)N([N-]C(=O)c2c(OC)cccc2OC)C1	ZINC000408660023	569999975	/nfs/dbraw/zinc/99/99/75/569999975.db2.gz	UITXRGOVXIHHEM-INIZCTEOSA-N	-1	3	469.494	1.941	40	0		JDABHM
COC(=O)c1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N([N-]C(=O)c3c(OC)cccc3OC)C2)cc1	ZINC000408661379	570000923	/nfs/dbraw/zinc/00/09/23/570000923.db2.gz	VOXTWJHYMSNVJA-HNNXBMFYSA-N	-1	3	499.476	1.166	40	0		JDABHM
COCCNS(=O)(=O)c1ccc(OCC(=O)Nc2cccc(-c3nc(C)cc(=O)[n-]3)c2)cc1	ZINC000226088022	570036895	/nfs/dbraw/zinc/03/68/95/570036895.db2.gz	IEMMLZPRCFLQOH-UHFFFAOYSA-N	-1	3	472.523	1.688	40	0		JDABHM
COC(=O)c1ccc(N2CCNCC2)c([N-]S(=O)(=O)c2ccc3c(c2)OCC(=O)N3C)c1	ZINC000242687259	570054049	/nfs/dbraw/zinc/05/40/49/570054049.db2.gz	UCDKYCQVHZNMJQ-UHFFFAOYSA-N	-1	3	460.512	1.039	40	0		JDABHM
CC(=O)N1CCN([C@H]2CCN(Cc3cc(C(C)(C)C)ccc3OCC(=O)[O-])CC[C@@H]2O)CC1	ZINC000257209954	570111022	/nfs/dbraw/zinc/11/10/22/570111022.db2.gz	BSNPDCXLCWUSSL-VXKWHMMOSA-N	-1	3	461.603	1.937	40	0		JDABHM
COc1ccc(CCC(=O)[O-])cc1CN1CCC2(CC1)C[C@](C)(O)[C@@H](n1ccc(=O)[nH]c1=O)CO2	ZINC000257236327	570118993	/nfs/dbraw/zinc/11/89/93/570118993.db2.gz	HBPRUAHJUZUUDQ-RDPSFJRHSA-N	-1	3	487.553	1.722	40	0		JDABHM
COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCCN3CCOCC3)cc2)cc1Cl	ZINC000408589485	570208838	/nfs/dbraw/zinc/20/88/38/570208838.db2.gz	FUWLZBHJYNBJAC-UHFFFAOYSA-N	-1	3	483.974	1.977	40	0		JDABHM
CS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1	ZINC000020768739	195223480	/nfs/dbraw/zinc/22/34/80/195223480.db2.gz	XJHUTUWMOHHTOC-UHFFFAOYSA-N	-1	3	473.598	1.321	40	0		JDABHM
CS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1	ZINC000020768736	195223486	/nfs/dbraw/zinc/22/34/86/195223486.db2.gz	CGTZMZQCTXMETB-UHFFFAOYSA-N	-1	3	487.625	1.711	40	0		JDABHM
CS(=O)(=O)[N-]c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c(Cl)c1	ZINC000020481610	525216366	/nfs/dbraw/zinc/21/63/66/525216366.db2.gz	LOEPEAYXTKRXFS-UHFFFAOYSA-N	-1	3	457.961	1.858	40	0		JDABHM
COc1ccc(Cn2nnnc2CN2CCC(Nc3nc4c(c(=O)[n-]3)CCCC4)CC2)cc1	ZINC000013564764	555499833	/nfs/dbraw/zinc/49/98/33/555499833.db2.gz	LFBIAWMHJHIHPN-UHFFFAOYSA-N	-1	3	450.547	1.769	40	0		JDABHM
NS(=O)(=O)c1ccc(CNC(=O)COc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc1	ZINC000020032526	555607870	/nfs/dbraw/zinc/60/78/70/555607870.db2.gz	JQJQPAABYDFXQT-UHFFFAOYSA-N	-1	3	475.548	1.830	40	0		JDABHM
CC(=O)OC[C@@H]1O[C@@H](Oc2ccc(C(C)=O)c([O-])c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000011666938	555797627	/nfs/dbraw/zinc/79/76/27/555797627.db2.gz	MZXXWNWABKHVLS-LILSUDLASA-N	-1	3	482.438	1.057	40	0		JDABHM
CCOc1cc([C@@H]2C(C(=O)OC)C(C)=Nc3nnnn32)cc(I)c1[O-]	ZINC000015016831	555858027	/nfs/dbraw/zinc/85/80/27/555858027.db2.gz	VZVCBTUXHLSWKD-GFCCVEGCSA-N	-1	3	457.228	1.844	40	0		JDABHM
CC(C)NS(=O)(=O)c1ccc(CCNS(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2)cc1	ZINC000022228037	555887077	/nfs/dbraw/zinc/88/70/77/555887077.db2.gz	YHLFWGNDMVLRHH-UHFFFAOYSA-N	-1	3	475.614	1.266	40	0		JDABHM
CC1(C)Oc2cc3oc(-c4cc([O-])cc(O[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)c4)cc3cc2C[C@@H]1O	ZINC000031518144	556398514	/nfs/dbraw/zinc/39/85/14/556398514.db2.gz	OHVJCFZJKPEJRL-XVAAYUMESA-N	-1	3	458.463	1.698	40	0	biogenic,in-vitro	JDABHM
CC1(C)Oc2cc3oc(-c4cc([O-])cc(O[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)c4)cc3cc2C[C@H]1O	ZINC000031518148	556398633	/nfs/dbraw/zinc/39/86/33/556398633.db2.gz	OHVJCFZJKPEJRL-XZCYHHARSA-N	-1	3	458.463	1.698	40	0	biogenic,in-vitro	JDABHM
O=S(=O)([N-][C@H]1CO[C@@H](CN2CCN(c3cccc(C(F)(F)F)c3)CC2)[C@@H]1O)c1cccs1	ZINC000514289448	560032695	/nfs/dbraw/zinc/03/26/95/560032695.db2.gz	UQWLDQZIWXDTRD-JENIJYKNSA-N	-1	3	491.557	1.996	40	0	biogenic,in-vitro	JDABHM
Cc1noc(C)c1S(=O)(=O)[N-]C[C@@]1(COc2ccc(C(F)(F)F)cn2)C[C@@H](O)[C@@H](O)C1	ZINC000107430282	560044885	/nfs/dbraw/zinc/04/48/85/560044885.db2.gz	UYQXQXHGANDSIH-XOIINTDNSA-N	-1	3	465.450	1.565	40	0	biogenic,in-vitro	JDABHM
COC(=O)c1ccc(OC)c(N2C(=O)[C@H]3SC(N)=C4C(=O)Oc5cc([O-])ccc5[C@H]4[C@H]3C2=O)c1	ZINC000079494737	569707570	/nfs/dbraw/zinc/70/75/70/569707570.db2.gz	QNECBBMBNLEURK-JZXOWHBKSA-N	-1	3	482.470	1.665	40	0		JDABHM
COc1ccc(OC)c(N2C(=O)[C@H]3SC(N)=C4C(=O)Oc5cc([O-])ccc5[C@@H]4[C@H]3C2=O)c1	ZINC000079486124	569707588	/nfs/dbraw/zinc/70/75/88/569707588.db2.gz	YVAISEJIQGBIRF-NUJGCVRESA-N	-1	3	454.460	1.887	40	0		JDABHM
COC(=O)c1ccc(OC)c(N2C(=O)[C@H]3SC(N)=C4C(=O)Oc5cc([O-])ccc5[C@@H]4[C@H]3C2=O)c1	ZINC000079494742	569707606	/nfs/dbraw/zinc/70/76/06/569707606.db2.gz	QNECBBMBNLEURK-NUJGCVRESA-N	-1	3	482.470	1.665	40	0		JDABHM
COc1ccc(N2C(=O)[C@@H]3[C@H](SC(N)=C4C(=O)Oc5cc([O-])ccc5[C@H]43)C2=O)cc1OC	ZINC000101410943	569797220	/nfs/dbraw/zinc/79/72/20/569797220.db2.gz	XCAGESCLQNEERK-BQFCYCMXSA-N	-1	3	454.460	1.887	40	0		JDABHM
O=C(Nc1cccc(OC(F)(F)F)c1)C1CC(=O)Nc2nc(N3CCOCC3)[n-]c(=O)c21	ZINC000038828122	569807971	/nfs/dbraw/zinc/80/79/71/569807971.db2.gz	WTCZTMWMUYBTTC-LBPRGKRZSA-N	-1	3	453.377	1.570	40	0		JDABHM
CCOC(=O)C1CCN(c2nc3c(c(=O)[n-]2)C(C(=O)Nc2ccc(NC(C)=O)cc2)CC(=O)N3)CC1	ZINC000038828202	569808066	/nfs/dbraw/zinc/80/80/66/569808066.db2.gz	KAUNOAZRAZUCOY-QGZVFWFLSA-N	-1	3	496.524	1.572	40	0		JDABHM
CCOC(=O)C1CCN(c2nc3c(c(=O)[n-]2)C(C(=O)Nc2cccc(C)c2)CC(=O)N3)CC1	ZINC000038828216	569808072	/nfs/dbraw/zinc/80/80/72/569808072.db2.gz	GOCZOMGRVLIENG-MRXNPFEDSA-N	-1	3	453.499	1.922	40	0		JDABHM
CCOC(=O)C1CCN(c2nc3c(c(=O)[n-]2)C(C(=O)Nc2ccccc2OC)CC(=O)N3)CC1	ZINC000038828242	569808330	/nfs/dbraw/zinc/80/83/30/569808330.db2.gz	PMQXCLFRTKDABH-AWEZNQCLSA-N	-1	3	469.498	1.623	40	0		JDABHM
CCOC(=O)C1CCN(c2nc3c(c(=O)[n-]2)C(C(=O)Nc2ccc(OC)cc2OC)CC(=O)N3)CC1	ZINC000038828345	569808358	/nfs/dbraw/zinc/80/83/58/569808358.db2.gz	UEBRECRUCHEMDE-OAHLLOKOSA-N	-1	3	499.524	1.631	40	0		JDABHM
COC(=O)c1cc(NC(=O)C2CC(=O)Nc3nc(N4CCCC[C@@H]4C)[n-]c(=O)c32)cc(C(=O)OC)c1	ZINC000040390375	569824961	/nfs/dbraw/zinc/82/49/61/569824961.db2.gz	FNDPIKOJVVRQAP-LRDDRELGSA-N	-1	3	497.508	1.786	40	0		JDABHM
Cc1cc(NC(=O)COC(=O)[C@H]2CC(=O)N([N-]C(=O)c3ccc(Cl)cc3Cl)C2)no1	ZINC000138900587	569866637	/nfs/dbraw/zinc/86/66/37/569866637.db2.gz	LUIMBSDYFOGHQI-JTQLQIEISA-N	-1	3	455.254	1.965	40	0		JDABHM
C[C@@H](Nc1cc([N-]S(=O)(=O)N2CCC2)nc(SCc2cccc(F)c2F)n1)[C@H](O)CO	ZINC000147074900	569867886	/nfs/dbraw/zinc/86/78/86/569867886.db2.gz	QVKPEMXUBULFBM-BXUZGUMPSA-N	-1	3	475.543	1.563	40	0		JDABHM
Cc1nn(C)cc1[C@@H]1C[C@@H](C(=O)Nc2cc(Br)ccc2[O-])N(C)S(=O)(=O)N1	ZINC000208531988	569875762	/nfs/dbraw/zinc/87/57/62/569875762.db2.gz	XFRCIEHHQQFEBH-JSGCOSHPSA-N	-1	3	458.338	1.415	40	0		JDABHM
COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]CCOc2ccc(S(=O)(=O)N(C)C)cc2)c1	ZINC000224264865	569938558	/nfs/dbraw/zinc/93/85/58/569938558.db2.gz	IBEWVZRAVHWRRP-UHFFFAOYSA-N	-1	3	476.960	1.734	40	0		JDABHM
CC(=O)Nc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N([N-]C(=O)c3ccccc3Cl)C2)cc1	ZINC000408651795	569994510	/nfs/dbraw/zinc/99/45/10/569994510.db2.gz	DZICJJYEJBMTHH-AWEZNQCLSA-N	-1	3	472.885	1.974	40	0		JDABHM
COc1cccc(OC)c1C(=O)[N-]N1C[C@H](C(=O)OCC(=O)Nc2ccc(C)c(C)c2)CC1=O	ZINC000408652628	569994971	/nfs/dbraw/zinc/99/49/71/569994971.db2.gz	GGHMWXPOLKSDSA-MRXNPFEDSA-N	-1	3	469.494	1.996	40	0		JDABHM
COc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N([N-]C(=O)c3c(OC)cccc3OC)C2)cc1	ZINC000408653614	569995535	/nfs/dbraw/zinc/99/55/35/569995535.db2.gz	JAQNKZHEKFKGDQ-CQSZACIVSA-N	-1	3	471.466	1.388	40	0		JDABHM
COC(=O)CSc1nnc([N-]C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)s1	ZINC000225417929	569995899	/nfs/dbraw/zinc/99/58/99/569995899.db2.gz	ZDTOCDZQYKINSD-UHFFFAOYSA-N	-1	3	492.988	1.730	40	0		JDABHM
COC(=O)c1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N([N-]C(=O)c3ccccc3Cl)C2)cc1	ZINC000408654554	569996311	/nfs/dbraw/zinc/99/63/11/569996311.db2.gz	KFSPQJNOGYCKOU-AWEZNQCLSA-N	-1	3	473.869	1.802	40	0		JDABHM
COC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N([N-]C(=O)c3ccccc3Cl)C2)cc1	ZINC000408654555	569996355	/nfs/dbraw/zinc/99/63/55/569996355.db2.gz	KFSPQJNOGYCKOU-CQSZACIVSA-N	-1	3	473.869	1.802	40	0		JDABHM
COC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N([N-]C(=O)c3c(OC)cccc3OC)C2)cc1	ZINC000408661382	570000939	/nfs/dbraw/zinc/00/09/39/570000939.db2.gz	VOXTWJHYMSNVJA-OAHLLOKOSA-N	-1	3	499.476	1.166	40	0		JDABHM
Cc1[nH]c(=O)[nH]c1C(=O)CCCCC(=O)NCC[C@@]12CCCC[C@@H]1c1c([nH]c(=O)[n-]c1=O)O2	ZINC000257205292	570109389	/nfs/dbraw/zinc/10/93/89/570109389.db2.gz	AYKGDONYLZDMIH-DMZKTXOQSA-N	-1	3	459.503	1.951	40	0		JDABHM
COc1ccccc1CN1CCCc2c(C)nc([C@H]3CCCN3C(=O)CN3CC(=O)[N-]C3=O)nc21	ZINC000257268270	570129104	/nfs/dbraw/zinc/12/91/04/570129104.db2.gz	MKXZEWRVJOBQTC-LJQANCHMSA-N	-1	3	478.553	1.962	40	0		JDABHM
CC1(C)[C@@H]2C[C@H]1[C@@]1(O)[C@@H](C2)Oc2c(ccc([O-])c2C(=O)NCCNC(=O)c2cccnc2)[C@@H]1O	ZINC000257317014	570143616	/nfs/dbraw/zinc/14/36/16/570143616.db2.gz	VHZXGKHMWVJMMK-BCXSNRLYSA-N	-1	3	467.522	1.539	40	0		JDABHM
C=C(OCC)c1ccc(NC(=O)C2CC(=O)Nc3nc(N4CCC(C(N)=O)CC4)[n-]c(=O)c32)cc1	ZINC000022610402	518654241	/nfs/dbraw/zinc/65/42/41/518654241.db2.gz	PAKSOHIBNIDEIY-KRWDZBQOSA-N	-1	3	480.525	1.543	40	0		JDABHM
COC(=O)c1cc(NC(=O)C2CC(=O)Nc3nc(N4CCCCC4)[n-]c(=O)c32)cc(C(=O)OC)c1	ZINC000022609981	521889106	/nfs/dbraw/zinc/88/91/06/521889106.db2.gz	AJSGTEOZAOCUKB-HNNXBMFYSA-N	-1	3	483.481	1.398	40	0		JDABHM
COc1cc(OC)cc(N2C(=O)[C@@H]3[C@H](SC(N)=C4C(=O)Oc5cc([O-])ccc5[C@H]43)C2=O)c1	ZINC000095475984	522862051	/nfs/dbraw/zinc/86/20/51/522862051.db2.gz	GPLSOXZLBIFSLX-BQFCYCMXSA-N	-1	3	454.460	1.887	40	0		JDABHM
NC(=O)C1CCN(c2nc3c(c(=O)[n-]2)C(C(=O)Nc2ccc(OC(F)(F)F)cc2)CC(=O)N3)CC1	ZINC000022610428	526859284	/nfs/dbraw/zinc/85/92/84/526859284.db2.gz	VYVUMRVJSUVPRO-CYBMUJFWSA-N	-1	3	494.430	1.435	40	0		JDABHM
CCc1c(C)nc(NC2CCN(Cc3nnnn3Cc3ccc4c(c3)OCO4)CC2)[n-]c1=O	ZINC000013564897	555500308	/nfs/dbraw/zinc/50/03/08/555500308.db2.gz	QKVKXTINRFMOLF-UHFFFAOYSA-N	-1	3	452.519	1.481	40	0		JDABHM
COC(=O)c1cc(NC(=O)C2CC(=O)Nc3nc(N4CCCC4)[n-]c(=O)c32)cc(C(=O)OC)c1	ZINC000019961214	555572473	/nfs/dbraw/zinc/57/24/73/555572473.db2.gz	GVNQKKDREPGYIP-CQSZACIVSA-N	-1	3	469.454	1.008	40	0		JDABHM
COC(=O)c1cc(NC(=O)C2CC(=O)Nc3nc(N4CCCC4)[n-]c(=O)c32)cc(C(=O)OC)c1	ZINC000019961218	555572477	/nfs/dbraw/zinc/57/24/77/555572477.db2.gz	GVNQKKDREPGYIP-AWEZNQCLSA-N	-1	3	469.454	1.008	40	0		JDABHM
COc1ccc(Cl)cc1S(=O)(=O)[N-]Cc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000020033492	555608671	/nfs/dbraw/zinc/60/86/71/555608671.db2.gz	RTJCBBOBKBSAHW-UHFFFAOYSA-N	-1	3	460.961	1.848	40	0		JDABHM
COc1ccc(F)cc1S(=O)(=O)[N-]CCc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000022228045	555886968	/nfs/dbraw/zinc/88/69/68/555886968.db2.gz	JDBUJLRJWIHJPW-UHFFFAOYSA-N	-1	3	458.533	1.376	40	0		JDABHM
COc1ccc(Cl)cc1S(=O)(=O)[N-]CCc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000022227937	555887046	/nfs/dbraw/zinc/88/70/46/555887046.db2.gz	WXQCSHICVOVHFW-UHFFFAOYSA-N	-1	3	474.988	1.891	40	0		JDABHM
O=C(CSc1nnc2n(Cc3ccccc3F)c3ccccc3n12)Nc1c[nH]c(=O)[n-]c1=O	ZINC000013084048	556281333	/nfs/dbraw/zinc/28/13/33/556281333.db2.gz	VTYRZEWEGTYFQV-UHFFFAOYSA-N	-1	3	465.470	1.979	40	0		JDABHM
COc1ccc(N2C(=O)[C@H]3SC(N)=C4C(=O)Oc5cc([O-])ccc5[C@@H]4[C@H]3C2=O)cc1OC	ZINC000079478584	569707452	/nfs/dbraw/zinc/70/74/52/569707452.db2.gz	XCAGESCLQNEERK-NUJGCVRESA-N	-1	3	454.460	1.887	40	0		JDABHM
NC1=C2C(=O)Oc3cc([O-])ccc3[C@H]2[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]2S1	ZINC000079476096	569707464	/nfs/dbraw/zinc/70/74/64/569707464.db2.gz	CZVRAYMLVBDFAA-JZXOWHBKSA-N	-1	3	452.444	1.641	40	0		JDABHM
COc1cc(OC)cc(N2C(=O)[C@@H]3[C@H](SC(N)=C4C(=O)Oc5cc([O-])ccc5[C@@H]43)C2=O)c1	ZINC000095475985	569724324	/nfs/dbraw/zinc/72/43/24/569724324.db2.gz	GPLSOXZLBIFSLX-RYRKJORJSA-N	-1	3	454.460	1.887	40	0		JDABHM
COC(=O)c1ccc(OC)c(N2C(=O)[C@@H]3[C@H](SC(N)=C4C(=O)Oc5cc([O-])ccc5[C@@H]43)C2=O)c1	ZINC000101363771	569794438	/nfs/dbraw/zinc/79/44/38/569794438.db2.gz	QNECBBMBNLEURK-RYRKJORJSA-N	-1	3	482.470	1.665	40	0		JDABHM
CNC(=O)c1ccc(N2C(=O)[C@H]3SC(N)=C4C(=O)Oc5cc([O-])ccc5[C@H]4[C@H]3C2=O)cc1	ZINC000101372210	569794880	/nfs/dbraw/zinc/79/48/80/569794880.db2.gz	VNUCRUYLVNNXTM-UXLLHSPISA-N	-1	3	451.460	1.230	40	0		JDABHM
COc1ccc(OC)c(N2C(=O)[C@@H]3[C@H](SC(N)=C4C(=O)Oc5cc([O-])ccc5[C@@H]43)C2=O)c1	ZINC000101409323	569796915	/nfs/dbraw/zinc/79/69/15/569796915.db2.gz	YVAISEJIQGBIRF-RYRKJORJSA-N	-1	3	454.460	1.887	40	0		JDABHM
CCOC(=O)C1CCN(c2nc3c(c(=O)[n-]2)C(C(=O)Nc2ccc(OC)cc2)CC(=O)N3)CC1	ZINC000038828205	569808136	/nfs/dbraw/zinc/80/81/36/569808136.db2.gz	HRGXQPMOTPAMGJ-INIZCTEOSA-N	-1	3	469.498	1.623	40	0		JDABHM
CCOC(=O)C1CCN(c2nc3c(c(=O)[n-]2)C(C(=O)Nc2cccc(OC)c2)CC(=O)N3)CC1	ZINC000038828217	569808224	/nfs/dbraw/zinc/80/82/24/569808224.db2.gz	HRFNGOZYQBHTQZ-INIZCTEOSA-N	-1	3	469.498	1.623	40	0		JDABHM
CCOC(=O)C1CCN(c2nc3c(c(=O)[n-]2)C(C(=O)Nc2ccccc2OC)CC(=O)N3)CC1	ZINC000038828244	569808352	/nfs/dbraw/zinc/80/83/52/569808352.db2.gz	PMQXCLFRTKDABH-CQSZACIVSA-N	-1	3	469.498	1.623	40	0		JDABHM
Cc1cc([N-]C(=O)[C@@H](C)OC(=O)c2cccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)c2)on1	ZINC000108995237	569860271	/nfs/dbraw/zinc/86/02/71/569860271.db2.gz	QYXUFYUWHZKCOF-SOUVJXGZSA-N	-1	3	451.501	1.965	40	0		JDABHM
COc1cccc(OC)c1C(=O)[N-]N1C[C@H](C(=O)OCC(=O)Nc2cccc(C)c2C)CC1=O	ZINC000138603111	569866025	/nfs/dbraw/zinc/86/60/25/569866025.db2.gz	DDKNNAWEPWNFRA-MRXNPFEDSA-N	-1	3	469.494	1.996	40	0		JDABHM
COc1cccc(OC)c1C(=O)[N-]N1C[C@H](C(=O)OCC(=O)Nc2ccc(F)cc2)CC1=O	ZINC000138693895	569866208	/nfs/dbraw/zinc/86/62/08/569866208.db2.gz	ZMTCJDWMVGRMIY-CYBMUJFWSA-N	-1	3	459.430	1.518	40	0		JDABHM
COc1ccccc1NC(=O)COC(=O)[C@@H]1CC(=O)N([N-]C(=O)c2c(OC)cccc2OC)C1	ZINC000138734679	569866345	/nfs/dbraw/zinc/86/63/45/569866345.db2.gz	BMFDPUFAYGMSQE-CQSZACIVSA-N	-1	3	471.466	1.388	40	0		JDABHM
COc1cccc(OC)c1C(=O)[N-]N1C[C@H](C(=O)OCC(=O)Nc2cc(C)ccc2C)CC1=O	ZINC000139010016	569866832	/nfs/dbraw/zinc/86/68/32/569866832.db2.gz	ZEPPXEAMZBBKLK-MRXNPFEDSA-N	-1	3	469.494	1.996	40	0		JDABHM
Cc1c([C@H]2C[C@@H](C(=O)Nc3cc(Br)ccc3[O-])N(C)S(=O)(=O)N2)cnn1C	ZINC000208531361	569875751	/nfs/dbraw/zinc/87/57/51/569875751.db2.gz	IMLPXYIYCZEASV-OCCSQVGLSA-N	-1	3	458.338	1.415	40	0		JDABHM
O=C([O-])c1[nH]c(=O)n(-c2ccc(I)cc2)c(=O)c1CN1CCCCC1	ZINC000222666384	569888026	/nfs/dbraw/zinc/88/80/26/569888026.db2.gz	WEYCRVVSEREVER-UHFFFAOYSA-N	-1	3	455.252	1.815	40	0		JDABHM
COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCCSc3nc[nH]n3)cc2)cc1	ZINC000222697703	569888836	/nfs/dbraw/zinc/88/88/36/569888836.db2.gz	VCRISJHPPQCEIL-UHFFFAOYSA-N	-1	3	463.541	1.901	40	0		JDABHM
COC(=O)CSc1nnc([N-]C(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2OC)s1	ZINC000223192598	569902841	/nfs/dbraw/zinc/90/28/41/569902841.db2.gz	ZPSBRSPQZVYWEM-UHFFFAOYSA-N	-1	3	472.570	1.849	40	0		JDABHM
O=S(=O)(Cc1c(F)cccc1Cl)[N-]CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000224464143	569945273	/nfs/dbraw/zinc/94/52/73/569945273.db2.gz	FYTBCMDUKFCAPG-UHFFFAOYSA-N	-1	3	492.978	1.998	40	0		JDABHM
COc1ccc(F)cc1S(=O)(=O)[N-]CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000224493773	569946266	/nfs/dbraw/zinc/94/62/66/569946266.db2.gz	GNPQPVLQWRWFOV-UHFFFAOYSA-N	-1	3	474.532	1.213	40	0		JDABHM
NC(=O)C1CCN(S(=O)(=O)c2nnc([N-]C(=O)c3ccc(Cl)cc3Cl)s2)CC1	ZINC000224846264	569960188	/nfs/dbraw/zinc/96/01/88/569960188.db2.gz	UJTAHARIZIZSMK-UHFFFAOYSA-N	-1	3	464.356	1.983	40	0		JDABHM
COc1ccc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)cc2)cc1C(=O)N1CCOCC1	ZINC000224996047	569968034	/nfs/dbraw/zinc/96/80/34/569968034.db2.gz	SIPGKPSEODPVKT-UHFFFAOYSA-N	-1	3	461.540	1.805	40	0		JDABHM
COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCCN3CCOCC3)c(Cl)c2)cc1	ZINC000408636479	569986677	/nfs/dbraw/zinc/98/66/77/569986677.db2.gz	QVKVUVJSFMDUFR-UHFFFAOYSA-N	-1	3	483.974	1.977	40	0		JDABHM
COc1cccc(OC)c1C(=O)[N-]N1C[C@@H](C(=O)OCC(=O)Nc2ccc(C(C)=O)cc2)CC1=O	ZINC000408651713	569994503	/nfs/dbraw/zinc/99/45/03/569994503.db2.gz	DMXBQHQWCIJWTK-INIZCTEOSA-N	-1	3	483.477	1.582	40	0		JDABHM
COc1cccc(OC)c1C(=O)[N-]N1C[C@@H](C(=O)OCC(=O)Nc2cccc(C)c2)CC1=O	ZINC000408653615	569995544	/nfs/dbraw/zinc/99/55/44/569995544.db2.gz	JASDPNIHOMGBKM-HNNXBMFYSA-N	-1	3	455.467	1.687	40	0		JDABHM
COc1cccc(OC)c1C(=O)[N-]N1C[C@@H](C(=O)OCC(=O)Nc2ccc(C)cc2C)CC1=O	ZINC000408660073	569999972	/nfs/dbraw/zinc/99/99/72/569999972.db2.gz	UNLOUEMIXBJCRC-INIZCTEOSA-N	-1	3	469.494	1.996	40	0		JDABHM
Cc1nc2cc(C(=O)N3CCC4(CC3)C[C@@](C)(O)[C@H](n3cc(F)c(=O)[n-]c3=O)CO4)ccc2n1C	ZINC000257204529	570109165	/nfs/dbraw/zinc/10/91/65/570109165.db2.gz	AVAWPXLTHBKINF-AUSIDOKSSA-N	-1	3	485.516	1.671	40	0		JDABHM
Cc1ccc2[nH]c(CCC(=O)N3CCC4(CC3)C[C@@](C)(O)[C@H](n3cc(F)c(=O)[n-]c3=O)CO4)nc2c1	ZINC000257274611	570131068	/nfs/dbraw/zinc/13/10/68/570131068.db2.gz	NLWFWJLNOKDKFA-NTKDMRAZSA-N	-1	3	499.543	1.979	40	0		JDABHM
Cc1ccc2nc(CCC(=O)N3CCC4(CC3)C[C@@](C)(O)[C@H](n3cc(F)c(=O)[n-]c3=O)CO4)[nH]c2c1	ZINC000257274611	570131069	/nfs/dbraw/zinc/13/10/69/570131069.db2.gz	NLWFWJLNOKDKFA-NTKDMRAZSA-N	-1	3	499.543	1.979	40	0		JDABHM
CNS(=O)(=O)c1ccc(CCC(=O)N2CCC[C@@]3(Cc4c([nH]c(=O)[n-]c4=O)O3)CC2)cc1	ZINC000257280385	570132821	/nfs/dbraw/zinc/13/28/21/570132821.db2.gz	OKQDFERQSRIYCK-NRFANRHFSA-N	-1	3	462.528	1.115	40	0		JDABHM
Cc1nc2ccccc2n1CCC(=O)N1CCC2(CC1)C[C@@](C)(O)[C@H](n1cc(F)c(=O)[n-]c1=O)CO2	ZINC000257290530	570135706	/nfs/dbraw/zinc/13/57/06/570135706.db2.gz	QDILYPWIWFPPGQ-HYBUGGRVSA-N	-1	3	499.543	1.910	40	0		JDABHM
O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)NCCCN1CCOCC1	ZINC000408588693	570208604	/nfs/dbraw/zinc/20/86/04/570208604.db2.gz	DPXQHQXWLQOHBQ-UHFFFAOYSA-N	-1	3	451.520	1.844	40	0		JDABHM