smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(OC[C@H](O)Cn2c(NCc3ccccc3)nc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000000629503 193861957 /nfs/dbraw/zinc/86/19/57/193861957.db2.gz VWUYRLHHPQOASH-QGZVFWFLSA-N 0 0 465.510 1.494 50 0 JDAARN COc1ccc(OC[C@@H](O)Cn2c(NCc3ccc(C)cc3)nc3c2c(=O)[nH]c(=O)n3C)cc1 ZINC000000637847 193867692 /nfs/dbraw/zinc/86/76/92/193867692.db2.gz HJFWGMKPAYRIOI-KRWDZBQOSA-N 0 0 465.510 1.792 50 0 JDAARN O=C(NC[C@H]1CCCO1)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 ZINC000000835566 193922029 /nfs/dbraw/zinc/92/20/29/193922029.db2.gz XYFRHMQZHIUSRR-NQIIRXRSSA-N 0 0 493.607 1.046 50 0 JDAARN CCc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)S(C)(=O)=O ZINC000000893965 193953185 /nfs/dbraw/zinc/95/31/85/193953185.db2.gz JCIOFVCWDOIWAO-UHFFFAOYSA-N 0 0 481.596 1.675 50 0 JDAARN COC(=O)CC1=C(C(=O)OC)[C@]2(c3ccccc3NC2=O)C(C(=O)OCc2ccccc2)=C(N)O1 ZINC000000989372 193997983 /nfs/dbraw/zinc/99/79/83/193997983.db2.gz YAMKVBLBJAAXFT-RUZDIDTESA-N 0 0 478.457 1.811 50 0 biogenic JDAARN CC(=O)OC(OC(C)=O)[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3cccc(Br)c3)C(=O)[C@@H]12 ZINC000001032222 194005951 /nfs/dbraw/zinc/00/59/51/194005951.db2.gz IZSPADOKCWJBKM-GJRWTSMGSA-N 0 0 450.241 1.714 50 0 JDAARN O=C(NCc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)s1)c1ccccc1 ZINC000001035208 194006780 /nfs/dbraw/zinc/00/67/80/194006780.db2.gz UEOAIZHCCPGUJP-SFHVURJKSA-N 0 0 463.581 1.690 50 0 JDAARN O=C1CCC(=O)N1c1ccc(S(=O)(=O)N2CCN(c3nccc(C(F)(F)F)n3)CC2)cc1 ZINC000001023261 194004603 /nfs/dbraw/zinc/00/46/03/194004603.db2.gz KFBBCNSMZDZBST-UHFFFAOYSA-N 0 0 469.445 1.660 50 0 JDAARN COc1ccc(C(=O)NC(=S)Nc2ccccc2N2CCN(S(C)(=O)=O)CC2)cc1OC ZINC000001065380 194013752 /nfs/dbraw/zinc/01/37/52/194013752.db2.gz GQWDOVUAJKXWRA-UHFFFAOYSA-N 0 0 478.596 1.912 50 0 JDAARN NC(=O)C1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)CC1 ZINC000001093666 194022705 /nfs/dbraw/zinc/02/27/05/194022705.db2.gz KLHIBXQAJYFYKK-UHFFFAOYSA-N 0 0 458.378 1.574 50 0 JDAARN CCOc1ccccc1N(CC(=O)Nc1ccccc1C(=O)N1CCOCC1)S(C)(=O)=O ZINC000001118249 194031232 /nfs/dbraw/zinc/03/12/32/194031232.db2.gz RZZUBXOXMQMQRP-UHFFFAOYSA-N 0 0 461.540 1.962 50 0 JDAARN COC(=O)CN1C(=S)N(C)C(=O)/C1=C/c1cc(I)c(O)c(OC)c1 ZINC000001135081 194041519 /nfs/dbraw/zinc/04/15/19/194041519.db2.gz HIOFEMSBVNNEFE-YHYXMXQVSA-N 0 0 462.265 1.578 50 0 JDAARN Cc1c(NC(=O)CN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)c(=O)n(-c2ccccc2)n1C ZINC000001141144 194044911 /nfs/dbraw/zinc/04/49/11/194044911.db2.gz YFIBCDSQIZSJFE-UHFFFAOYSA-N 0 0 472.523 1.660 50 0 JDAARN COc1ccc(-n2c(=O)c3cc4c(cc3c2=O)c(=O)n(-c2ccc(OC)cc2OC)c4=O)c(OC)c1 ZINC000001210929 194071216 /nfs/dbraw/zinc/07/12/16/194071216.db2.gz YAIYHZMGKNPNDU-UHFFFAOYSA-N 0 0 488.452 1.925 50 0 JDAARN CC(C)Oc1cc(NC(=O)CS(=O)(=O)CC(=O)N2CCOCC2)c(Cl)cc1Cl ZINC000001387573 194113625 /nfs/dbraw/zinc/11/36/25/194113625.db2.gz WTZSOBIFQLAHIO-UHFFFAOYSA-N 0 0 453.344 1.993 50 0 JDAARN CCS(=O)(=O)c1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)NCc1ccccc1OC)O2 ZINC000001399630 194114971 /nfs/dbraw/zinc/11/49/71/194114971.db2.gz AESMLIDARTTYSN-IBGZPJMESA-N 0 0 468.553 1.332 50 0 JDAARN Nc1nc(C(F)(F)F)cc(=O)n1N(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000001402201 194115199 /nfs/dbraw/zinc/11/51/99/194115199.db2.gz NZKMIIZKRJIPMK-UHFFFAOYSA-N 0 0 474.442 1.560 50 0 JDAARN C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)CN3C(=O)c4ccccc4C3=O)cc2)C[C@@H](C)O1 ZINC000001466137 194124526 /nfs/dbraw/zinc/12/45/26/194124526.db2.gz UNVOMBNCEWWMTG-HUUCEWRRSA-N 0 0 457.508 1.719 50 0 JDAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)CSc3nnnn3-c3ccccc3)CC2)cc1 ZINC000001465568 194124583 /nfs/dbraw/zinc/12/45/83/194124583.db2.gz PZTCQTAQIOUSPO-UHFFFAOYSA-N 0 0 458.569 1.596 50 0 JDAARN Cn1c2nc(Br)n(C[C@H](O)COc3ccc(Br)cc3)c2c(=O)[nH]c1=O ZINC000001511363 194126776 /nfs/dbraw/zinc/12/67/76/194126776.db2.gz VZBFYFAEVWODQT-VIFPVBQESA-N 0 0 474.109 1.388 50 0 JDAARN COCCOC(=O)C1=C(C)OC(N)=C(C(=O)OC)[C@]12c1cc(Br)ccc1NC2=O ZINC000001786656 194140073 /nfs/dbraw/zinc/14/00/73/194140073.db2.gz ZMRIDJVDTHSNPJ-IBGZPJMESA-N 0 0 467.272 1.476 50 0 biogenic JDAARN CN(C)c1cc(C(=O)N2CCN(C(=O)c3cc(Cl)nc(Cl)c3)CC2)nc(N(C)C)n1 ZINC000001742617 194133046 /nfs/dbraw/zinc/13/30/46/194133046.db2.gz INZXMMPPTVJGHM-UHFFFAOYSA-N 0 0 452.346 1.909 50 0 JDAARN CCOC(=O)CC1=C(C(=O)OCC)[C@]2(c3ccccc3NC2=O)C(C(=O)OCCOC)=C(N)O1 ZINC000001801142 194142695 /nfs/dbraw/zinc/14/26/95/194142695.db2.gz RWCFRDTXFOCRLT-HSZRJFAPSA-N 0 0 474.466 1.037 50 0 biogenic JDAARN Cc1cc(C)nc(SCc2nnc(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)n2C)n1 ZINC000001805491 194143570 /nfs/dbraw/zinc/14/35/70/194143570.db2.gz ZWDFOIWAPIKFMJ-UHFFFAOYSA-N 0 0 479.613 1.892 50 0 JDAARN COC(=O)C1=c2s/c(=C\c3cccs3)c(=O)n2C(N)=C(C(=O)OC)[C@H]1c1cccs1 ZINC000001830427 194148039 /nfs/dbraw/zinc/14/80/39/194148039.db2.gz WNOQGTSKSMYECB-KIWPFMIBSA-N 0 0 460.558 1.283 50 0 JDAARN NS(=O)(=O)c1ccc(NC(=O)CN2C(=O)S/C(=C\C(=O)Nc3ccccc3)C2=O)cc1 ZINC000001891198 194152846 /nfs/dbraw/zinc/15/28/46/194152846.db2.gz QIPFTLZRKKQRLN-GDNBJRDFSA-N 0 0 460.493 1.491 50 0 JDAARN COc1ccccc1C(=O)N[C@@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2CCc1ccccc1 ZINC000001900733 194153928 /nfs/dbraw/zinc/15/39/28/194153928.db2.gz PLNIYMDLRLCLLX-JOCHJYFZSA-N 0 0 488.422 1.928 50 0 JDAARN CCCCC(=O)N[C@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2CCc1ccc(OC)c(OC)c1 ZINC000001900390 194153954 /nfs/dbraw/zinc/15/39/54/194153954.db2.gz JIELBRXCMFWPTG-NRFANRHFSA-N 0 0 498.458 1.813 50 0 JDAARN CCOC(=O)C1=c2s/c(=C\c3ccco3)c(=O)n2C(N)=C(C(=O)OCC)[C@@H]1c1ccco1 ZINC000002314934 194159632 /nfs/dbraw/zinc/15/96/32/194159632.db2.gz QRJQWUOFHYSSJS-SZGZABIGSA-N 0 0 456.476 1.126 50 0 JDAARN Cc1ccc(S(=O)(=O)N(C)CC(=O)OCC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)cc1 ZINC000002639939 194162954 /nfs/dbraw/zinc/16/29/54/194162954.db2.gz HNEGOMODEDPHKW-UHFFFAOYSA-N 0 0 477.495 1.278 50 0 JDAARN COC(=O)c1ccc(C(=O)OC)c(NC(=O)CN(c2ccc3c(c2)OCO3)S(C)(=O)=O)c1 ZINC000002874679 194167104 /nfs/dbraw/zinc/16/71/04/194167104.db2.gz FQUBNFDHMFYSIT-UHFFFAOYSA-N 0 0 464.452 1.393 50 0 JDAARN Cc1c(C(=O)N2CCC3(CC2)OCCO3)sc2ncn(CC(=O)N3CCCCC3)c(=O)c12 ZINC000002922312 194169694 /nfs/dbraw/zinc/16/96/94/194169694.db2.gz RHHCCNZCDQTEOF-UHFFFAOYSA-N 0 0 460.556 1.758 50 0 JDAARN CCOc1cc2[nH]c(=O)n(Cc3ccc(C(=O)NCC(OC)OC)cc3)c(=O)c2cc1OCC ZINC000002952410 194178200 /nfs/dbraw/zinc/17/82/00/194178200.db2.gz YOYDONPUIMRIRH-UHFFFAOYSA-N 0 0 471.510 1.884 50 0 JDAARN COc1ccc(CNC(=O)[C@@H](CCSC)NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)cc1 ZINC000002928738 194172624 /nfs/dbraw/zinc/17/26/24/194172624.db2.gz YAMYICJFURBOIO-QGZVFWFLSA-N 0 0 479.580 1.857 50 0 JDAARN CCOc1ccc(N(CC(=O)OC)S(=O)(=O)c2ccc3c(c2)n(C)c(=O)c(=O)n3C)cc1 ZINC000002928551 194172672 /nfs/dbraw/zinc/17/26/72/194172672.db2.gz QGYWLOIROKQLAS-UHFFFAOYSA-N 0 0 461.496 1.004 50 0 JDAARN CC(=O)Nc1ccc(S(=O)(=O)N[C@H](CC(=O)N2CCC3(CC2)OCCO3)C(C)C)cc1 ZINC000002938944 194174682 /nfs/dbraw/zinc/17/46/82/194174682.db2.gz XUIHNZOFSXNWFM-LJQANCHMSA-N 0 0 453.561 1.704 50 0 JDAARN O=C(NCc1ccccc1Cl)C1CCN(S(=O)(=O)N2CCC3(CC2)OCCO3)CC1 ZINC000002964759 194183939 /nfs/dbraw/zinc/18/39/39/194183939.db2.gz WPKOOZCZPDTAHH-UHFFFAOYSA-N 0 0 457.980 1.752 50 0 JDAARN NC(=O)CSC1=Nc2ccccc2C2=N[C@@H](CCC(=O)NCc3ccc4c(c3)OCO4)C(=O)N21 ZINC000002967189 194184734 /nfs/dbraw/zinc/18/47/34/194184734.db2.gz ALYZQZQMXZDZSU-INIZCTEOSA-N 0 0 479.518 1.689 50 0 JDAARN NC(=O)CSC1=Nc2ccccc2C2=N[C@H](CCC(=O)NCc3ccc4c(c3)OCO4)C(=O)N21 ZINC000002967190 194184811 /nfs/dbraw/zinc/18/48/11/194184811.db2.gz ALYZQZQMXZDZSU-MRXNPFEDSA-N 0 0 479.518 1.689 50 0 JDAARN COc1ccccc1CNC(=O)C[C@@H]1N=C2c3ccccc3N=C(SCC(N)=O)N2C1=O ZINC000002968530 194186106 /nfs/dbraw/zinc/18/61/06/194186106.db2.gz OEVKNTKYEMKLMG-INIZCTEOSA-N 0 0 451.508 1.579 50 0 JDAARN NC(=O)CSC1=Nc2ccccc2C2=N[C@H](CC(=O)NCc3ccc4c(c3)OCO4)C(=O)N21 ZINC000002968624 194186223 /nfs/dbraw/zinc/18/62/23/194186223.db2.gz KPVHJWCOALJTTQ-OAHLLOKOSA-N 0 0 465.491 1.299 50 0 JDAARN COc1ccc(CNC(=O)C[C@@H]2N=C3c4ccccc4N=C(SCC(N)=O)N3C2=O)cc1 ZINC000002968432 194186250 /nfs/dbraw/zinc/18/62/50/194186250.db2.gz SFLJFKXRMUTIFT-KRWDZBQOSA-N 0 0 451.508 1.579 50 0 JDAARN CCOC(=O)CC(=O)CSc1nc2ccccc2c(=O)n1CCc1ccc(S(N)(=O)=O)cc1 ZINC000002970522 194187983 /nfs/dbraw/zinc/18/79/83/194187983.db2.gz CIOVDYCHKJDFPE-UHFFFAOYSA-N 0 0 489.575 1.901 50 0 JDAARN C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3sc4c(c3C(N)=O)CCN(C)C4)cc2)C[C@H](C)O1 ZINC000003006953 194202179 /nfs/dbraw/zinc/20/21/79/194202179.db2.gz VGKHOORPLZDJIR-KBPBESRZSA-N 0 0 492.623 1.885 50 0 JDAARN COC(=O)c1c2c(sc1NC(=O)c1ccc(S(=O)(=O)N3CCOCC3)cc1)CN(C)CC2 ZINC000003006893 194202200 /nfs/dbraw/zinc/20/22/00/194202200.db2.gz CHFNRBCQMCDDAZ-UHFFFAOYSA-N 0 0 479.580 1.796 50 0 JDAARN CC(C)(C)n1nc2c(c1NC(=O)c1ccc(S(=O)(=O)N3CCOCC3)cc1)CS(=O)(=O)C2 ZINC000003008444 194202961 /nfs/dbraw/zinc/20/29/61/194202961.db2.gz HVDPECIPMRJEOE-UHFFFAOYSA-N 0 0 482.584 1.340 50 0 JDAARN Cc1cc(S(=O)(=O)N2CCCO[C@H]2CNC(=O)C(=O)NCCC2=CCCCC2)ccc1F ZINC000003027826 194212018 /nfs/dbraw/zinc/21/20/18/194212018.db2.gz RLUYTGBNHSGJPD-FQEVSTJZSA-N 0 0 467.563 1.994 50 0 JDAARN Cc1cccc(N2CCN(C(=O)C3CCN(S(=O)(=O)N4CCOCC4)CC3)CC2)c1C ZINC000003055132 194220340 /nfs/dbraw/zinc/22/03/40/194220340.db2.gz ZWWMRKUCKBRQOQ-UHFFFAOYSA-N 0 0 450.605 1.241 50 0 JDAARN Cc1cc(Br)ccc1SCC(=O)OCC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000003232802 194246226 /nfs/dbraw/zinc/24/62/26/194246226.db2.gz WDAWKKDSQVTQSP-UHFFFAOYSA-N 0 0 456.318 1.255 50 0 JDAARN Cn1c(N)c(C(=O)COC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)c(=O)n(C)c1=O ZINC000003241254 194248543 /nfs/dbraw/zinc/24/85/43/194248543.db2.gz QNFAUSNXQQRGPD-UHFFFAOYSA-N 0 0 459.462 1.559 50 0 JDAARN Cn1c(N)c(C(=O)COC(=O)c2cccnc2Nc2cccc(C(F)(F)F)c2)c(=O)n(C)c1=O ZINC000003254839 194252950 /nfs/dbraw/zinc/25/29/50/194252950.db2.gz NLAXBASDVYQLQV-UHFFFAOYSA-N 0 0 477.399 1.863 50 0 JDAARN NS(=O)(=O)c1ccc(NC(=O)COC(=O)c2nn(-c3ccccc3)c(=O)c3ccccc32)cc1 ZINC000003264087 194256067 /nfs/dbraw/zinc/25/60/67/194256067.db2.gz RYUKBZNRKAPPPW-UHFFFAOYSA-N 0 0 478.486 1.829 50 0 JDAARN Cc1cc(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)n(-c2nc(C)cc(C)n2)n1 ZINC000003280038 194261552 /nfs/dbraw/zinc/26/15/52/194261552.db2.gz DTAIIYSIRMWIMF-UHFFFAOYSA-N 0 0 456.528 1.861 50 0 JDAARN Cc1noc(C)c1COC(=O)[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(C)C ZINC000003282276 194262458 /nfs/dbraw/zinc/26/24/58/194262458.db2.gz GKGRZUQSQWBZKE-FQEVSTJZSA-N 0 0 479.555 1.810 50 0 JDAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)C[C@@H]3OC(=O)c4ccccc43)CC2)c(C)c1 ZINC000003282652 194262765 /nfs/dbraw/zinc/26/27/65/194262765.db2.gz CMEWXGDYUWMUMI-FQEVSTJZSA-N 0 0 486.546 1.981 50 0 JDAARN CN(C)S(=O)(=O)c1cccc(C(=O)OCCOC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1 ZINC000003287159 194265206 /nfs/dbraw/zinc/26/52/06/194265206.db2.gz WMMPQDAURZBJON-UHFFFAOYSA-N 0 0 484.552 1.201 50 0 JDAARN C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CCN(S(=O)(=O)c3ccc(Cl)cc3)CC1)C2=O ZINC000003299817 194271944 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Cn1nc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)c2ccccc2c1=O ZINC000012880206 195167843 /nfs/dbraw/zinc/16/78/43/195167843.db2.gz AYEGSUZICAXLJV-UHFFFAOYSA-N 0 0 484.534 1.242 50 0 JDAARN O=C([O-])CC[C@@H]1[NH2+][C@@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@@H]21 ZINC000012882629 195169118 /nfs/dbraw/zinc/16/91/18/195169118.db2.gz UNZNMYRTDVBSNM-RXYORGTDSA-N 0 0 497.891 1.854 50 0 biogenic JDAARN O=C([O-])CC[C@@H]1[NH2+][C@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@@H]21 ZINC000012882622 195169260 /nfs/dbraw/zinc/16/92/60/195169260.db2.gz UNZNMYRTDVBSNM-ODSAXCBOSA-N 0 0 497.891 1.854 50 0 biogenic JDAARN Cc1ccc2c(c1C)NC(=O)[C@]21[NH2+][C@@H](CCC(=O)[O-])[C@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]21 ZINC000012883017 195169395 /nfs/dbraw/zinc/16/93/95/195169395.db2.gz WIIFZSHMXMVSCO-CPVJYWEUSA-N 0 0 491.500 1.818 50 0 biogenic JDAARN O=C([O-])CC[C@H]1[NH2+][C@]2(C(=O)Nc3c2cccc3Cl)[C@@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]12 ZINC000012883432 195169692 /nfs/dbraw/zinc/16/96/92/195169692.db2.gz VIKKRIPDMMYURS-FRLSHVLYSA-N 0 0 497.891 1.854 50 0 biogenic JDAARN O=C(Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O)Nc1ccccc1I ZINC000012887933 195171407 /nfs/dbraw/zinc/17/14/07/195171407.db2.gz OUETWAIWRAZHNL-UHFFFAOYSA-N 0 0 487.319 1.876 50 0 JDAARN COC(=O)c1cc(NC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)cc(C(=O)OC)c1 ZINC000012889309 195172032 /nfs/dbraw/zinc/17/20/32/195172032.db2.gz PLRLAVIVCYWBSO-UHFFFAOYSA-N 0 0 482.536 1.523 50 0 JDAARN CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccccc1)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000012889525 195172045 /nfs/dbraw/zinc/17/20/45/195172045.db2.gz RTQJCROYODRZBK-ILCGBQQYSA-N 0 0 454.614 1.853 50 0 JDAARN O=S(=O)(c1ccccc1F)N1CCN(Cn2nc([C@H]3CCS(=O)(=O)C3)oc2=S)CC1 ZINC000012889217 195172079 /nfs/dbraw/zinc/17/20/79/195172079.db2.gz ALXRSDNJGWPOCX-ZDUSSCGKSA-N 0 0 476.577 1.211 50 0 JDAARN COC(=O)C1CCN(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)CC1 ZINC000012892017 195173638 /nfs/dbraw/zinc/17/36/38/195173638.db2.gz UEEBERVIFZUXBI-UHFFFAOYSA-N 0 0 479.599 1.328 50 0 JDAARN O=C(c1cccc(S(=O)(=O)N2CCOCC2)c1)N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000012896162 195175417 /nfs/dbraw/zinc/17/54/17/195175417.db2.gz MPCLYECUXBSTPG-GOSISDBHSA-N 0 0 455.540 1.770 50 0 JDAARN CCOC(=O)c1ccc(S(=O)(=O)N2CCN(Cn3nnn(C(C)(C)C)c3=S)CC2)cc1 ZINC000012897006 195175582 /nfs/dbraw/zinc/17/55/82/195175582.db2.gz CHYKEGASJIIQKM-UHFFFAOYSA-N 0 0 468.605 1.705 50 0 JDAARN O=C(C[C@@H]1NC(=O)N(C[C@@H](O)COc2ccc(-c3ccccc3)cc2)C1=O)N1CCOCC1 ZINC000012898431 195176356 /nfs/dbraw/zinc/17/63/56/195176356.db2.gz KXEDTIPYNXVJQW-CTNGQTDRSA-N 0 0 453.495 1.263 50 0 JDAARN NC(=O)NC(=O)COC(=O)CCc1nc2sc3c(c2c(=O)n1C[C@@H]1CCCO1)CCCC3 ZINC000012863197 195160330 /nfs/dbraw/zinc/16/03/30/195160330.db2.gz JTCYIVBTVOVFMA-LBPRGKRZSA-N 0 0 462.528 1.187 50 0 JDAARN C[C@]1(c2ccc3c(c2)CCC3)NC(=O)N(CC(=O)N(Cc2ccco2)[C@H]2CCS(=O)(=O)C2)C1=O ZINC000012863673 195160597 /nfs/dbraw/zinc/16/05/97/195160597.db2.gz NIGRIWAJQXXSQC-YADARESESA-N 0 0 485.562 1.751 50 0 JDAARN C[C@H](OC(=O)C1CCN(C(=O)Nc2ccccc2)CC1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000012865201 195161193 /nfs/dbraw/zinc/16/11/93/195161193.db2.gz IMSLYLYFBKDEEF-MAUKXSAKSA-N 0 0 451.545 1.508 50 0 JDAARN COc1cccc(-c2noc(COC(=O)CCNS(=O)(=O)c3ccc4c(c3)OCCO4)n2)c1 ZINC000012865226 195161242 /nfs/dbraw/zinc/16/12/42/195161242.db2.gz UCLLNZXAWQTTGX-UHFFFAOYSA-N 0 0 475.479 1.928 50 0 JDAARN CCCCCn1c(-c2ccc(C)cc2)nn([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)c1=S ZINC000012898922 195176595 /nfs/dbraw/zinc/17/65/95/195176595.db2.gz LSWLCCRXZBVDSY-DRJBRKBZSA-N 0 0 464.588 1.696 50 0 JDAARN COC(=O)c1ccc2c(c1)nc(SCC(=O)Nc1cc(C)[nH]n1)n(CCN1CCOCC1)c2=O ZINC000020643762 195194375 /nfs/dbraw/zinc/19/43/75/195194375.db2.gz RCWZJPFAGBLCIN-UHFFFAOYSA-N 0 0 486.554 1.278 50 0 JDAARN CCCCn1c(N)c(N(CCOC)C(=O)COC(=O)[C@@H](C)Oc2ccc(Cl)cc2)c(=O)[nH]c1=O ZINC000012902416 195178080 /nfs/dbraw/zinc/17/80/80/195178080.db2.gz UCVRHOROUDAQJY-CQSZACIVSA-N 0 0 496.948 1.562 50 0 JDAARN CCOC(=O)C1=C(COC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)NC(=O)NC1 ZINC000012903697 195178537 /nfs/dbraw/zinc/17/85/37/195178537.db2.gz KIKJNNQNXFFLTL-UHFFFAOYSA-N 0 0 473.507 1.799 50 0 JDAARN CN(C(=O)COC(=O)COc1ccc2c(c1)CCC2)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000012903971 195178591 /nfs/dbraw/zinc/17/85/91/195178591.db2.gz MOWYYQMPRBHRAM-UHFFFAOYSA-N 0 0 478.505 1.241 50 0 JDAARN O=C(CC[C@H]1NC(=O)NC1=O)N1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000012903690 195178629 /nfs/dbraw/zinc/17/86/29/195178629.db2.gz ROISDMLZAOCQRF-GFCCVEGCSA-N 0 0 482.868 1.180 50 0 JDAARN C[C@@H](OC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000012904387 195178772 /nfs/dbraw/zinc/17/87/72/195178772.db2.gz RWWIEXVGTPPQTH-DYVFJYSZSA-N 0 0 456.948 1.427 50 0 JDAARN O=C(c1cn(-c2ccccc2)nc1-c1cccnc1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000012904524 195178899 /nfs/dbraw/zinc/17/88/99/195178899.db2.gz KGTJGWPGOPJFMD-HXUWFJFHSA-N 0 0 451.552 1.879 50 0 JDAARN O=C(c1cccc(CN2CCCC2=O)c1)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 ZINC000012904899 195179124 /nfs/dbraw/zinc/17/91/24/195179124.db2.gz LMXIRZUFMPVOEV-UHFFFAOYSA-N 0 0 451.552 1.836 50 0 JDAARN CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)NCc3ccc4c(c3)OCCO4)CC2)cc1 ZINC000012904699 195179172 /nfs/dbraw/zinc/17/91/72/195179172.db2.gz IYDSSQAETHAHTE-UHFFFAOYSA-N 0 0 459.524 1.877 50 0 JDAARN CCc1nnc(NC(=O)CSc2nc(-c3ccccc3)nc3c2c(=O)n(C)c(=O)n3C)s1 ZINC000020604946 195180642 /nfs/dbraw/zinc/18/06/42/195180642.db2.gz OJCSHQVJSXGHHI-UHFFFAOYSA-N 0 0 469.552 1.839 50 0 JDAARN COc1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)[C@@H](CC(N)=O)N[C@]32c3cc(Cl)cc(C)c3NC2=O)cc1 ZINC000020610532 195183577 /nfs/dbraw/zinc/18/35/77/195183577.db2.gz RTLALERPMMDQFG-SYSFZUQMSA-N 0 0 482.924 1.453 50 0 biogenic JDAARN COc1ccc(CCNC(=O)C(=O)NC[C@@H](c2ccc3c(c2)OCO3)N2CCOCC2)cc1OC ZINC000020614018 195186295 /nfs/dbraw/zinc/18/62/95/195186295.db2.gz KEVFFXONQMIJCO-IBGZPJMESA-N 0 0 485.537 1.281 50 0 JDAARN O=C(CCCn1c(=O)[nH]c2ccccc2c1=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000020616785 195188486 /nfs/dbraw/zinc/18/84/86/195188486.db2.gz BGKDZBFNLCZURF-UHFFFAOYSA-N 0 0 450.495 1.543 50 0 JDAARN CCOc1cc2[nH]c(=O)n(CCC(=O)N3CCN(c4ccccn4)CC3)c(=O)c2cc1OCC ZINC000020616839 195188652 /nfs/dbraw/zinc/18/86/52/195188652.db2.gz ATCGVXKWEDRIBJ-UHFFFAOYSA-N 0 0 467.526 1.621 50 0 JDAARN CCOC(=O)N1CCN(C(=O)CCn2c(=O)[nH]c3cc(OCC)c(OCC)cc3c2=O)CC1 ZINC000020616837 195188744 /nfs/dbraw/zinc/18/87/44/195188744.db2.gz CPTGHFSJDCJMEK-UHFFFAOYSA-N 0 0 462.503 1.178 50 0 JDAARN COc1ccc([C@H]2NC3=NCN(CCN4CCOCC4)CN3c3nc4ccccc4n32)cc1OC ZINC000020638570 195192039 /nfs/dbraw/zinc/19/20/39/195192039.db2.gz IVHOKCNBKBNAOZ-QHCPKHFHSA-N 0 0 477.569 1.929 50 0 JDAARN COc1ccc(S(=O)(=O)N2CCN(CN3C(=O)CC4(CCCC4)C3=O)CC2)cc1OC ZINC000020639809 195192408 /nfs/dbraw/zinc/19/24/08/195192408.db2.gz CVHUKDKDWUAIDQ-UHFFFAOYSA-N 0 0 451.545 1.287 50 0 JDAARN CCn1c2ccc(S(=O)(=O)N3CCCCC3)cc2nc1CN(C)[C@@H]1CCS(=O)(=O)C1 ZINC000020679874 195203780 /nfs/dbraw/zinc/20/37/80/195203780.db2.gz ZKYXADHKLKZPHW-MRXNPFEDSA-N 0 0 454.618 1.850 50 0 JDAARN Cc1ccccc1CS(=O)(=O)C[C@@H]1Nc2ccc(C(=O)NCCN3CCOCC3)cc2NC1=O ZINC000020680458 195204147 /nfs/dbraw/zinc/20/41/47/195204147.db2.gz HLPVBBPNPSMVTP-QFIPXVFZSA-N 0 0 486.594 1.405 50 0 JDAARN COC(=O)CC[C@H](NC(=O)N1CCc2[nH]cnc2[C@@H]1c1ccc(F)c(F)c1F)C(=O)OC ZINC000020721602 195206663 /nfs/dbraw/zinc/20/66/63/195206663.db2.gz PWFQCDPWDYSJFN-UGSOOPFHSA-N 0 0 454.405 1.979 50 0 JDAARN CCN1CCN(C(=O)CN2c3cc(S(=O)(=O)N4CCCC4)ccc3SCC2=O)CC1 ZINC000020724543 195206963 /nfs/dbraw/zinc/20/69/63/195206963.db2.gz FWGJAJWFSULKOI-UHFFFAOYSA-N 0 0 452.602 1.074 50 0 JDAARN COc1ccc(CNC(=O)C(=O)N2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)cc1OC ZINC000020727674 195208477 /nfs/dbraw/zinc/20/84/77/195208477.db2.gz YTGOJILXZIODJS-UHFFFAOYSA-N 0 0 450.495 1.786 50 0 JDAARN COc1cc2ncn(CC(=O)NCCC(=O)N3CCN(c4ccccc4)CC3)c(=O)c2cc1OC ZINC000020731063 195210244 /nfs/dbraw/zinc/21/02/44/195210244.db2.gz MPXACWLIMKYSDD-UHFFFAOYSA-N 0 0 479.537 1.269 50 0 JDAARN COc1ccc(NC(=O)C2CCN(S(=O)(=O)c3c(C)[nH]c(=O)[nH]c3=O)CC2)cc1Cl ZINC000020732094 195210926 /nfs/dbraw/zinc/21/09/26/195210926.db2.gz MSWZTADVBMHLDP-UHFFFAOYSA-N 0 0 456.908 1.073 50 0 JDAARN COc1ccccc1N1C[C@@H](C(=O)NCCNS(=O)(=O)c2ccc(Cl)cc2)CC1=O ZINC000020732613 195211241 /nfs/dbraw/zinc/21/12/41/195211241.db2.gz XNSDUVQJRQLART-AWEZNQCLSA-N 0 0 451.932 1.796 50 0 JDAARN C[C@H]1Cn2c3c(nc2N(c2ccc(Cl)cc2)C1)n(C)c(=O)n(CCN1CCOCC1)c3=O ZINC000020815398 195229274 /nfs/dbraw/zinc/22/92/74/195229274.db2.gz OZCOWTKMITUAGY-OAHLLOKOSA-N 0 0 458.950 1.670 50 0 JDAARN COc1cc2ncn(CC(=O)N[C@@H](C)C(=O)NCCc3c[nH]c4ccc(F)cc34)c(=O)c2cc1OC ZINC000020744545 195214750 /nfs/dbraw/zinc/21/47/50/195214750.db2.gz RFRXHZMJFNIKSE-AWEZNQCLSA-N 0 0 495.511 1.898 50 0 JDAARN Cc1c(C(=O)NCCN2CCOCC2)sc2ncn(CC(=O)N3CCCC[C@H]3C)c(=O)c12 ZINC000020756236 195216066 /nfs/dbraw/zinc/21/60/66/195216066.db2.gz URJJRHKYKCWBEW-OAHLLOKOSA-N 0 0 461.588 1.229 50 0 JDAARN Cc1sc2ncn(CC(=O)NCC(=O)N3CCN(Cc4ccccc4)CC3)c(=O)c2c1C ZINC000020757228 195216190 /nfs/dbraw/zinc/21/61/90/195216190.db2.gz SZWMGJAWHYQOFZ-UHFFFAOYSA-N 0 0 453.568 1.535 50 0 JDAARN COc1cc2ncn(CC(=O)N[C@H](C(=O)Nc3ccc(O)cc3)C(C)C)c(=O)c2cc1OC ZINC000020760841 195217960 /nfs/dbraw/zinc/21/79/60/195217960.db2.gz PQNOLGWBMFINTD-NRFANRHFSA-N 0 0 454.483 1.899 50 0 biogenic JDAARN Nc1ncc(Br)cc1S(=O)(=O)NCCC(=O)N1CCN(Cc2ccccc2)CC1 ZINC000020761661 195218217 /nfs/dbraw/zinc/21/82/17/195218217.db2.gz LNWYIFOWMBSUKA-UHFFFAOYSA-N 0 0 482.404 1.439 50 0 JDAARN COc1cc2ncn(CC(=O)N[C@H](C(=O)NCc3cccnc3)C(C)C)c(=O)c2cc1OC ZINC000020762035 195218281 /nfs/dbraw/zinc/21/82/81/195218281.db2.gz JTKMSYKRDNWUBU-NRFANRHFSA-N 0 0 453.499 1.266 50 0 biogenic JDAARN Cc1ccc(CCNC(=O)CN(C)S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)cc1 ZINC000020761911 195218301 /nfs/dbraw/zinc/21/83/01/195218301.db2.gz QVOZHEYRRUGDEV-UHFFFAOYSA-N 0 0 451.932 1.959 50 0 JDAARN COc1cc2ncn(CC(=O)N[C@H](C(=O)NCc3ccccn3)C(C)C)c(=O)c2cc1OC ZINC000020761765 195218304 /nfs/dbraw/zinc/21/83/04/195218304.db2.gz LTTFUMVLJSODEK-NRFANRHFSA-N 0 0 453.499 1.266 50 0 biogenic JDAARN COc1cccc([C@@H](CC(=O)NCCN2CCOCC2)NS(=O)(=O)c2ccc(C)cc2)c1OC ZINC000020766181 195221273 /nfs/dbraw/zinc/22/12/73/195221273.db2.gz JBUSAOBNWLASQS-OAQYLSRUSA-N 0 0 491.610 1.870 50 0 JDAARN COc1cccc([C@H](CC(=O)NCCN2CCOCC2)NS(=O)(=O)c2ccc(C)cc2)c1OC ZINC000020766185 195221395 /nfs/dbraw/zinc/22/13/95/195221395.db2.gz JBUSAOBNWLASQS-NRFANRHFSA-N 0 0 491.610 1.870 50 0 JDAARN COc1ccc(-c2[nH]c3c(c2-c2c(=O)[nH]c(=O)n(C)c2-n2cccc2)c(=O)[nH]c(=O)n3C)cc1 ZINC000020896834 195239991 /nfs/dbraw/zinc/23/99/91/195239991.db2.gz NTSWRTAKRORGLC-UHFFFAOYSA-N 0 0 460.450 1.075 50 0 JDAARN Cn1c2[nH]c(-c3cccc(Cl)c3)c(-c3c(=O)[nH]c(=O)n(C)c3-n3cccc3)c2c(=O)[nH]c1=O ZINC000020896815 195240068 /nfs/dbraw/zinc/24/00/68/195240068.db2.gz ZNFXRVGSHZGBEM-UHFFFAOYSA-N 0 0 464.869 1.720 50 0 JDAARN CC(=O)N1c2ccc(S(=O)(=O)N(C)CC(=O)N3CCN(Cc4ccccc4)CC3)cc2C[C@@H]1C ZINC000020922437 195248304 /nfs/dbraw/zinc/24/83/04/195248304.db2.gz YHHFTHCIGCGNKD-IBGZPJMESA-N 0 0 484.622 1.949 50 0 JDAARN CCc1cc2c(cc3c(=O)n(CC(=O)NCCc4ccc(S(N)(=O)=O)cc4)nc(CC)n23)s1 ZINC000020862681 195233905 /nfs/dbraw/zinc/23/39/05/195233905.db2.gz VLCZQHDQQMNVLE-UHFFFAOYSA-N 0 0 487.607 1.842 50 0 JDAARN Cc1nn(CCCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)c(=O)c2cc3occc3n21 ZINC000020866528 195234495 /nfs/dbraw/zinc/23/44/95/195234495.db2.gz NLWMTFRLMNXUDX-UHFFFAOYSA-N 0 0 457.512 1.337 50 0 JDAARN O=C(CCCN1C(=O)c2ccccc2C1=O)N1CCN(CCNC(=O)c2ccc3c(c2)OCO3)CC1 ZINC000020891384 195237477 /nfs/dbraw/zinc/23/74/77/195237477.db2.gz XOTODMWWLPHGMK-UHFFFAOYSA-N 0 0 492.532 1.366 50 0 JDAARN COc1ccc(OCC(=O)Nc2ccc3c(c2)nc(CN2CCN(S(C)(=O)=O)CC2)n3C)cc1 ZINC000020893125 195237805 /nfs/dbraw/zinc/23/78/05/195237805.db2.gz DEJAYECDHLGZRP-UHFFFAOYSA-N 0 0 487.582 1.677 50 0 JDAARN Cc1c(C)n(-c2ccccc2)c2ncn(CC(=O)NCCc3ccc(S(N)(=O)=O)cc3)c(=O)c12 ZINC000020947089 195257113 /nfs/dbraw/zinc/25/71/13/195257113.db2.gz 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Cc1ccc(-n2nc(-c3noc(CCC(=O)NCc4ccc(F)cc4)n3)c(=O)n(C)c2=O)cc1 ZINC000035402301 525924476 /nfs/dbraw/zinc/92/44/76/525924476.db2.gz ZUCWRKJGJQLZBN-UHFFFAOYSA-N 0 0 464.457 1.678 50 0 JDAARN Cc1ccc(-n2nc(-c3noc(C(=O)NCc4cccc(Cl)c4)n3)c(=O)n(C)c2=O)cc1 ZINC000045946715 525925085 /nfs/dbraw/zinc/92/50/85/525925085.db2.gz ZFASNMRFDLYPPM-UHFFFAOYSA-N 0 0 452.858 1.873 50 0 JDAARN Cc1c2c(ccc1Cl)[C@]1(N[C@@H]([C@@H](C)O)[C@H]3C(=O)N(Cc4ccc5c(c4)OCO5)C(=O)[C@H]31)C(=O)N2 ZINC000035363881 525932481 /nfs/dbraw/zinc/93/24/81/525932481.db2.gz BWMVPJNRGUQRFV-CUUFRBISSA-N 0 0 483.908 1.679 50 0 biogenic JDAARN Cc1c2c(ccc1Cl)[C@]1(N[C@H]([C@@H](C)O)[C@H]3C(=O)N(CCc4ccccc4)C(=O)[C@H]31)C(=O)N2 ZINC000035363895 525933372 /nfs/dbraw/zinc/93/33/72/525933372.db2.gz GOLGTBLFHKRDDP-VBXZMTOYSA-N 0 0 453.926 1.992 50 0 biogenic JDAARN COc1cccc(CNC(=O)NCCn2nnc3cc(S(=O)(=O)N4CCCC4)ccc32)c1 ZINC000065029877 525987118 /nfs/dbraw/zinc/98/71/18/525987118.db2.gz FQERNZURZNJUBD-UHFFFAOYSA-N 0 0 458.544 1.724 50 0 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COc1cccc(N2CCN(C(=O)CCc3c(C)nc4c(c3C)c(=O)n(C)c(=O)n4C)CC2)c1 ZINC000008598771 526147011 /nfs/dbraw/zinc/14/70/11/526147011.db2.gz XVKXDMNYRNRNLW-UHFFFAOYSA-N 0 0 465.554 1.539 50 0 JDAARN COc1cccc(N2C[C@H](C)Cn3c2nc2c3c(=O)n(CCN3CCOCC3)c(=O)n2C)c1 ZINC000020519562 526163832 /nfs/dbraw/zinc/16/38/32/526163832.db2.gz CVSSLUCDGJDGHX-INIZCTEOSA-N 0 0 454.531 1.025 50 0 JDAARN Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)Nc1cccc(N(C)S(C)(=O)=O)c1)O2 ZINC000038856631 526169919 /nfs/dbraw/zinc/16/99/19/526169919.db2.gz CNIVCFWUVWBQDH-SFHVURJKSA-N 0 0 453.542 1.557 50 0 JDAARN COc1cccc(NC(=O)Nc2nnc(Sc3nc4c(c(=O)n(C)c(=O)n4C)n3C)s2)c1 ZINC000045966980 526195150 /nfs/dbraw/zinc/19/51/50/526195150.db2.gz XJQOFOMXEAVHAV-UHFFFAOYSA-N 0 0 474.528 1.626 50 0 JDAARN COc1cccc(NS(=O)(=O)c2ccc3c(c2)c(=O)n(CCC(=O)N2CCCC2)c(=O)n3C)c1 ZINC000033281399 526210595 /nfs/dbraw/zinc/21/05/95/526210595.db2.gz YJNKNEQYTLBZSY-UHFFFAOYSA-N 0 0 486.550 1.522 50 0 JDAARN CSc1nc2nc(C)c(CC(=O)Nc3ccc(F)c(S(=O)(=O)N4CCOCC4)c3)c(C)n2n1 ZINC000014094576 526217577 /nfs/dbraw/zinc/21/75/77/526217577.db2.gz NWASOUNRYDWKEL-UHFFFAOYSA-N 0 0 494.574 1.804 50 0 JDAARN Cc1cc(C(=O)N2CCCCC2)c2c(=O)n(CC(=O)N(C)c3ccc(F)cc3)c(=O)n(C)c2n1 ZINC000020344967 526242908 /nfs/dbraw/zinc/24/29/08/526242908.db2.gz BAMGUNHJRVLNLC-UHFFFAOYSA-N 0 0 467.501 1.832 50 0 JDAARN COc1cccc(S(=O)(=O)Nc2ccc(C3(C(=O)NCCN4CCOCC4)CC3)cc2)c1 ZINC000033115510 526244150 /nfs/dbraw/zinc/24/41/50/526244150.db2.gz HDBICGKPYZDCKT-UHFFFAOYSA-N 0 0 459.568 1.976 50 0 JDAARN Cc1ccc(C(C)C)c(OCc2nnc(S[C@H](C)C(=O)N[C@H]3CCS(=O)(=O)C3)n2N)c1 ZINC000021605453 526248851 /nfs/dbraw/zinc/24/88/51/526248851.db2.gz VFMMKFXLPZMWPE-CABCVRRESA-N 0 0 467.617 1.787 50 0 JDAARN Cc1ccc(C(C)C)c(OCc2nnc(S[C@H](C)C(=O)N[C@@H]3CCS(=O)(=O)C3)n2N)c1 ZINC000021605451 526248965 /nfs/dbraw/zinc/24/89/65/526248965.db2.gz VFMMKFXLPZMWPE-HUUCEWRRSA-N 0 0 467.617 1.787 50 0 JDAARN 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LVXWFGMGMIEJMU-IBGZPJMESA-N 0 0 483.587 1.357 50 0 JDAARN Cc1nn(CC(=O)N2CCCC2)c(C)c1S(=O)(=O)N1CCC(C(=O)Nc2cc(C)ccn2)CC1 ZINC000021717444 527701399 /nfs/dbraw/zinc/70/13/99/527701399.db2.gz UWAKGWTYSREQQA-UHFFFAOYSA-N 0 0 488.614 1.865 50 0 JDAARN CCn1c(CN2CCN(CC(=O)NC3CC3)CC2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000096307677 535982059 /nfs/dbraw/zinc/98/20/59/535982059.db2.gz LFQRUUHRHMUCPX-UHFFFAOYSA-N 0 0 488.658 1.627 50 0 JDAARN COc1ccc(-n2nc(C(=O)NC[C@H]3CCCO3)c(=O)n(Cc3ccc(F)cc3)c2=O)cc1 ZINC000096212168 536557115 /nfs/dbraw/zinc/55/71/15/536557115.db2.gz HMJYMZFLRIGGCP-LJQANCHMSA-N 0 0 454.458 1.499 50 0 JDAARN COc1ccc(OC[C@H](O)Cn2c(NCc3ccccc3)nc3c2c(=O)[nH]c(=O)n3C)cc1 ZINC000000628166 553715693 /nfs/dbraw/zinc/71/56/93/553715693.db2.gz WGCVGQDOYHKJNH-MRXNPFEDSA-N 0 0 451.483 1.484 50 0 biogenic JDAARN COc1ccc(OC[C@@H](O)Cn2c(NCc3ccco3)nc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000000629423 553716668 /nfs/dbraw/zinc/71/66/68/553716668.db2.gz PFYZDSPKSNSCKK-AWEZNQCLSA-N 0 0 455.471 1.087 50 0 JDAARN COc1ccc(OC[C@@H](O)Cn2c(NCCc3ccccc3)nc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000000629922 553716954 /nfs/dbraw/zinc/71/69/54/553716954.db2.gz KJWBSRIBHBTYRL-SFHVURJKSA-N 0 0 479.537 1.537 50 0 JDAARN Cc1cc(C)n(-c2nc3c(c(=O)[nH]c(=O)n3C)n2C[C@H](O)COc2ccc(Cl)cc2Cl)n1 ZINC000000632442 553719214 /nfs/dbraw/zinc/71/92/14/553719214.db2.gz ZYMNPLSRHWEBFE-ZDUSSCGKSA-N 0 0 479.324 1.973 50 0 JDAARN COc1ccc(OC[C@H](O)Cn2c(N(C)Cc3ccccc3)nc3c2c(=O)[nH]c(=O)n3C)cc1 ZINC000000633128 553719352 /nfs/dbraw/zinc/71/93/52/553719352.db2.gz SBXCDACXPDGYPE-QGZVFWFLSA-N 0 0 465.510 1.508 50 0 JDAARN Cc1ccccc1OC[C@@H](O)Cn1c(N2CCN(c3ccccc3)CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000000634869 553720720 /nfs/dbraw/zinc/72/07/20/553720720.db2.gz PUNXNKSVRKIXJL-FQEVSTJZSA-N 0 0 490.564 1.498 50 0 JDAARN Cc1ccccc1OC[C@H](O)Cn1c(N2CCN(c3ccccc3)CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000000634863 553720790 /nfs/dbraw/zinc/72/07/90/553720790.db2.gz PUNXNKSVRKIXJL-HXUWFJFHSA-N 0 0 490.564 1.498 50 0 JDAARN COc1ccc(OC[C@H](O)Cn2c(Nc3cccc(C)c3)nc3c2c(=O)[nH]c(=O)n3C)cc1 ZINC000000638256 553722394 /nfs/dbraw/zinc/72/23/94/553722394.db2.gz YTZHOACUHGFTPL-MRXNPFEDSA-N 0 0 451.483 1.924 50 0 JDAARN NC(=O)C[C@@H]1C(=O)N(Cc2ccccc2)C(=S)N1NC(=O)c1ccc(Br)cc1 ZINC000000662355 553740293 /nfs/dbraw/zinc/74/02/93/553740293.db2.gz BKDZYRWNOUJBDY-OAHLLOKOSA-N 0 0 461.341 1.967 50 0 JDAARN Cn1c2nc(SCC(=O)N3CCOCC3)n(Cc3ccccc3Cl)c2c(=O)n(C)c1=O ZINC000000666053 553742368 /nfs/dbraw/zinc/74/23/68/553742368.db2.gz XKNFAQOSUCMRRQ-UHFFFAOYSA-N 0 0 463.947 1.086 50 0 biogenic JDAARN Cn1c2c(ncn2CC(=O)Nc2ccc(-c3cc4ccccc4oc3=O)cc2)c(=O)n(C)c1=O ZINC000000679633 553752752 /nfs/dbraw/zinc/75/27/52/553752752.db2.gz PGWCGDCWXNUEJZ-UHFFFAOYSA-N 0 0 457.446 1.846 50 0 JDAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cnn(C)c3C)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000000709372 553765403 /nfs/dbraw/zinc/76/54/03/553765403.db2.gz QSBDMMPLXIXCGK-XQJRBFNUSA-N 0 0 482.562 1.857 50 0 JDAARN COc1ccc(S(=O)(=O)N(CC(=O)N2CCC(C(N)=O)CC2)c2ccc(C)cc2)cc1OC ZINC000000785764 553781017 /nfs/dbraw/zinc/78/10/17/553781017.db2.gz QAMMRKQDDXCAAJ-UHFFFAOYSA-N 0 0 475.567 1.931 50 0 JDAARN Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCOCCOCCOCC2)c2ccccc2)cc1 ZINC000000859437 553801363 /nfs/dbraw/zinc/80/13/63/553801363.db2.gz ADAIKZKWDUFAGY-QFIPXVFZSA-N 0 0 462.568 1.907 50 0 JDAARN Cn1c2nc(N3CCOCC3)n(C[C@H](O)COc3ccc(Cl)cc3Cl)c2c(=O)[nH]c1=O ZINC000000974983 553888414 /nfs/dbraw/zinc/88/84/14/553888414.db2.gz GEXVCNHNJLPISQ-LBPRGKRZSA-N 0 0 470.313 1.007 50 0 JDAARN Cn1c2nc(NCCc3ccccc3)n(CC(=O)NCCc3ccccc3)c2c(=O)n(C)c1=O ZINC000000987345 553893809 /nfs/dbraw/zinc/89/38/09/553893809.db2.gz WDFXZWLDQMJZGA-UHFFFAOYSA-N 0 0 460.538 1.447 50 0 JDAARN Cc1ccc(-c2nn(CC(=O)N3CCOCC3)c(=O)c3ccccc32)cc1S(=O)(=O)N(C)C ZINC000001178886 553927731 /nfs/dbraw/zinc/92/77/31/553927731.db2.gz ZPHHVCVAVIAXAB-UHFFFAOYSA-N 0 0 470.551 1.481 50 0 JDAARN COc1ccc(C(=O)NCC(=O)NCC(=O)OCC(=O)c2ccc(Br)cc2)cc1 ZINC000001858834 553997358 /nfs/dbraw/zinc/99/73/58/553997358.db2.gz ZOWSDLTYGBFZEI-UHFFFAOYSA-N 0 0 463.284 1.730 50 0 JDAARN O=C(N[C@@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2Cc1ccco1)c1ccccc1F ZINC000001864948 553998498 /nfs/dbraw/zinc/99/84/98/553998498.db2.gz REJIPJFGHGZNMH-GOSISDBHSA-N 0 0 452.320 1.457 50 0 JDAARN COC(=O)c1ccc(COC(=O)[C@@H](CCS(C)(=O)=O)N2C(=O)c3ccccc3C2=O)cc1 ZINC000001864314 553998584 /nfs/dbraw/zinc/99/85/84/553998584.db2.gz LEXFUHGUZHSTBW-GOSISDBHSA-N 0 0 459.476 1.616 50 0 JDAARN COC(=O)C1=C(C)N=c2s/c(=C3/c4ccccc4N(C(C)=O)C3=O)c(=O)n2[C@H]1c1cccs1 ZINC000002058548 554015420 /nfs/dbraw/zinc/01/54/20/554015420.db2.gz HOLYTRDABGWFDI-VZCCSQPZSA-N 0 0 479.539 1.733 50 0 JDAARN O=c1c2ccc(O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)cc2occ1-c1ccc(Br)cc1 ZINC000002132809 554060910 /nfs/dbraw/zinc/06/09/10/554060910.db2.gz BUAUQSRAMCNOPK-RQUKQETFSA-N 0 0 479.279 1.401 50 0 JDAARN NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1 ZINC000002134708 554061550 /nfs/dbraw/zinc/06/15/50/554061550.db2.gz QBXDKCCBSLSACA-UHFFFAOYSA-N 0 0 457.489 1.935 50 0 JDAARN CC1(C)O[C@H]2O[C@@H](C(=O)NCC(=O)Nc3ccc(Br)cc3)[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O1 ZINC000002139662 554063553 /nfs/dbraw/zinc/06/35/53/554063553.db2.gz JSADDDMHJWYBIZ-ORDFZIBCSA-N 0 0 485.331 1.900 50 0 biogenic JDAARN COc1ccccc1NC(=O)[C@@H](C)NC(=O)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]21 ZINC000002139713 554063903 /nfs/dbraw/zinc/06/39/03/554063903.db2.gz DBSJOFBBECDESI-NCKJKDLNSA-N 0 0 450.488 1.535 50 0 biogenic JDAARN Cc1ccc2c(c1)[C@]1([NH2+][C@H](CCC(=O)[O-])[C@H]3C(=O)N(Cc4ccc5c(c4)OCO5)C(=O)[C@H]31)C(=O)N2 ZINC000002161219 554074323 /nfs/dbraw/zinc/07/43/23/554074323.db2.gz PFGHGTKBDRJXQS-IJUKNHKESA-N 0 0 477.473 1.509 50 0 biogenic JDAARN COc1ccc(-n2c3c(c(=O)[nH]c2=O)[C@](NC(=O)c2ccco2)(C(F)(F)F)C(=O)N3)cc1 ZINC000002192361 554087457 /nfs/dbraw/zinc/08/74/57/554087457.db2.gz AHKICMZGJAPAQM-GOSISDBHSA-N 0 0 450.329 1.267 50 0 JDAARN NC(=O)c1nn(-c2ccccc2)nc1NC(=O)CSc1nnnn1-c1cccc(Cl)c1 ZINC000002192094 554087471 /nfs/dbraw/zinc/08/74/71/554087471.db2.gz KZRPIJGWILCDKR-UHFFFAOYSA-N 0 0 455.891 1.726 50 0 JDAARN CCCCOC(=O)C1=C(N)OC(CC(=O)OC)=C(C(=O)OC)[C@]12c1ccccc1N(C)C2=O ZINC000002214655 554097324 /nfs/dbraw/zinc/09/73/24/554097324.db2.gz JSLRAQZTASFYFX-HSZRJFAPSA-N 0 0 458.467 1.435 50 0 JDAARN CCn1c(=O)c2cc(I)ccc2nc1SCC(=O)N1CCOCC1 ZINC000002215827 554097997 /nfs/dbraw/zinc/09/79/97/554097997.db2.gz BTYHTKXKRSDMBU-UHFFFAOYSA-N 0 0 459.309 1.972 50 0 JDAARN CCOC(=O)c1ccc(N2CN=c3s/c(=C4\C(=O)Nc5ccc(Cl)cc54)c(=O)n3C2)cc1 ZINC000002259693 554120943 /nfs/dbraw/zinc/12/09/43/554120943.db2.gz FEOYLVRFKCRMPP-ZCXUNETKSA-N 0 0 468.922 1.946 50 0 JDAARN COC(=O)C1=C(C)N=c2s/c(=C3/c4ccccc4N(C)C3=O)c(=O)n2[C@H]1c1cccs1 ZINC000002280736 554130825 /nfs/dbraw/zinc/13/08/25/554130825.db2.gz FHDMCYCGTBFTEQ-HMNTXPNISA-N 0 0 451.529 1.816 50 0 JDAARN CCOC(=O)C1=c2s/c(=C\c3ccccc3)c(=O)n2C(N)=C(C(=O)OC)[C@@H]1c1ccccc1 ZINC000002351026 554161552 /nfs/dbraw/zinc/16/15/52/554161552.db2.gz SNITWOSHHLQGLM-DNKLCNGGSA-N 0 0 462.527 1.550 50 0 JDAARN CCOC(=O)C1=C(N)OC(C)=C(C(=O)OC(C)C)[C@]12c1ccccc1N(CC(=O)OC)C2=O ZINC000002363599 554166760 /nfs/dbraw/zinc/16/67/60/554166760.db2.gz JAXXZBSLHJUAAW-HSZRJFAPSA-N 0 0 458.467 1.433 50 0 JDAARN Cn1c2c(c(=O)n(C)c1=O)[C@@](NC(=O)c1cccc(C(F)(F)F)c1)(C(F)(F)F)C(=O)N2 ZINC000002377679 554174423 /nfs/dbraw/zinc/17/44/23/554174423.db2.gz HGWKMQUVTKFPCB-HNNXBMFYSA-N 0 0 450.295 1.243 50 0 JDAARN CC(C)Cn1c2c(c(=O)[nH]c1=O)[C@@](NS(=O)(=O)c1ccc(Cl)cc1)(C(F)(F)F)C(=O)N2 ZINC000002394180 554181072 /nfs/dbraw/zinc/18/10/72/554181072.db2.gz JZRJCJDJIVFTNX-INIZCTEOSA-N 0 0 480.852 1.534 50 0 JDAARN COc1cc(-c2nc3s/c(=C\c4ccc(OCC(N)=O)cc4)c(=O)n3n2)cc(OC)c1OC ZINC000002415381 554194507 /nfs/dbraw/zinc/19/45/07/554194507.db2.gz GBZMCNDLJFZYAI-IUXPMGMMSA-N 0 0 468.491 1.256 50 0 JDAARN CCOC(=O)C1=C(N)N2C(=O)[C@@H](C)SC2=C(C(=O)OC)[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000002492183 554227340 /nfs/dbraw/zinc/22/73/40/554227340.db2.gz XSRUHMMAYYBYET-QMTHXVAHSA-N 0 0 478.523 1.892 50 0 JDAARN Cc1sc2ncn(CC(=O)NC[C@H]3CCCO3)c(=O)c2c1S(=O)(=O)N1CCC(C)CC1 ZINC000002494410 554227980 /nfs/dbraw/zinc/22/79/80/554227980.db2.gz ATBCKAPJFQNULH-OAHLLOKOSA-N 0 0 468.601 1.482 50 0 JDAARN O=C(CCn1c(=O)c2sccc2n(Cc2cc(=O)n3ccccc3n2)c1=O)NCc1ccco1 ZINC000002498321 554229015 /nfs/dbraw/zinc/22/90/15/554229015.db2.gz LHYHUQOPRZPKNJ-UHFFFAOYSA-N 0 0 477.502 1.580 50 0 JDAARN CCOC(=O)CSc1nnc(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)s1 ZINC000002586494 554238467 /nfs/dbraw/zinc/23/84/67/554238467.db2.gz HZXCAIXVTYATLO-UHFFFAOYSA-N 0 0 472.570 1.467 50 0 JDAARN CC(C)(C)OC(=O)C(I)(C(=O)OC(C)(C)C)c1ccc2nnnn2n1 ZINC000002601368 554240175 /nfs/dbraw/zinc/24/01/75/554240175.db2.gz DONIKTZSSINGSJ-UHFFFAOYSA-N 0 0 461.260 1.833 50 0 JDAARN CCCn1nc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)c2ccccc2c1=O ZINC000002616658 554241579 /nfs/dbraw/zinc/24/15/79/554241579.db2.gz PMUSNGJRZUMJOP-UHFFFAOYSA-N 0 0 498.561 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NC(=O)c1cc(NC(=O)c2ccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)cc2)cc(C(N)=O)c1 ZINC000002650301 554266054 /nfs/dbraw/zinc/26/60/54/554266054.db2.gz AKEFLXYYIOSXBL-UHFFFAOYSA-N 0 0 496.501 1.709 50 0 JDAARN CC(=O)c1ccc(N2C(=O)C[C@@H](N3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)C2=O)cc1 ZINC000002662408 554275575 /nfs/dbraw/zinc/27/55/75/554275575.db2.gz DBPQAKPIQAKBIF-OAQYLSRUSA-N 0 0 455.536 1.836 50 0 JDAARN CCOC(=O)c1ccc(NC(=O)Cc2sc(Nc3ccc(S(N)(=O)=O)cc3)nc2O)cc1 ZINC000002668710 554279406 /nfs/dbraw/zinc/27/94/06/554279406.db2.gz CYJANLDSVIACKE-MRXNPFEDSA-N 0 0 476.536 1.949 50 0 JDAARN CNC(=O)c1c2c(sc1NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)CN(C(C)=O)CC2 ZINC000002725225 554311818 /nfs/dbraw/zinc/31/18/18/554311818.db2.gz GLZOTGHPTZKBQH-UHFFFAOYSA-N 0 0 464.569 1.515 50 0 JDAARN Cc1cc(C(F)(F)F)nn1CCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cnn(C)c2C)C1 ZINC000002732180 554316331 /nfs/dbraw/zinc/31/63/31/554316331.db2.gz DQRRBVWGTUNPHI-OAHLLOKOSA-N 0 0 476.525 1.859 50 0 JDAARN 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Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(N4CCCS4(=O)=O)cc3)CC2)c(C)c1 ZINC000008763090 554663049 /nfs/dbraw/zinc/66/30/49/554663049.db2.gz GXDSRFVITSRRHC-UHFFFAOYSA-N 0 0 477.608 1.990 50 0 JDAARN CCOC(=O)N1CCN(C(=O)CC[C@@H]2NC(=O)N(CCc3c[nH]c4ccccc34)C2=O)CC1 ZINC000008764333 554664602 /nfs/dbraw/zinc/66/46/02/554664602.db2.gz IMPXPQDQEYOCSX-IBGZPJMESA-N 0 0 455.515 1.916 50 0 biogenic JDAARN Cn1nc(CC(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)c2ccccc2c1=O ZINC000008770061 554670249 /nfs/dbraw/zinc/67/02/49/554670249.db2.gz SWLFIFIJMQWHKA-UHFFFAOYSA-N 0 0 454.552 1.967 50 0 JDAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CN(C)S(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000008771130 554670987 /nfs/dbraw/zinc/67/09/87/554670987.db2.gz IKCZIZKTCRLEAY-MRXNPFEDSA-N 0 0 469.585 1.842 50 0 JDAARN Cn1c2nc(N3CCN(Cc4ccc5c(c4)OCO5)CC3)n(Cc3ccccc3)c2c(=O)n(C)c1=O ZINC000008775131 554673571 /nfs/dbraw/zinc/67/35/71/554673571.db2.gz RECHALZWBADNAZ-UHFFFAOYSA-N 0 0 488.548 1.533 50 0 JDAARN 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CCCCOc1ccc(CC(=O)NCC(=O)NCC(=O)OCN2C(=O)c3ccccc3C2=O)cc1 ZINC000013598570 555529772 /nfs/dbraw/zinc/52/97/72/555529772.db2.gz MXSNTUHXNMBSHU-UHFFFAOYSA-N 0 0 481.505 1.437 50 0 JDAARN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc3c(c2)oc(=O)n3CC(=O)NCc2ccccn2)C1 ZINC000009830699 555531110 /nfs/dbraw/zinc/53/11/10/555531110.db2.gz QYRYHEDWVBFQCN-IYBDPMFKSA-N 0 0 458.540 1.973 50 0 JDAARN CCOC(=O)N1CCC(NC(=O)C2=CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)CC1 ZINC000009831715 555534319 /nfs/dbraw/zinc/53/43/19/555534319.db2.gz ZZKFLAXLDJTVPW-UHFFFAOYSA-N 0 0 451.545 1.753 50 0 JDAARN O=C(NC[C@H]1CCCO1)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 ZINC000013614685 555535658 /nfs/dbraw/zinc/53/56/58/555535658.db2.gz XYFRHMQZHIUSRR-WIYYLYMNSA-N 0 0 493.607 1.046 50 0 JDAARN O=C([C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1)N1CCCCC1 ZINC000013614659 555535714 /nfs/dbraw/zinc/53/57/14/555535714.db2.gz KQNZSZOFVHRLBK-OAQYLSRUSA-N 0 0 477.608 1.763 50 0 JDAARN 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CCOc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)NCCc1ccc(OC)cc1 ZINC000013692278 555586867 /nfs/dbraw/zinc/58/68/67/555586867.db2.gz CBYPBZOGXUENSM-UHFFFAOYSA-N 0 0 468.553 1.681 50 0 JDAARN CCOC(=O)N1CCN(C(=O)COc2ccc3c(c2)OC2(CCN(C(C)=O)CC2)CC3=O)CC1 ZINC000013692710 555587404 /nfs/dbraw/zinc/58/74/04/555587404.db2.gz VCCMNEYUHZKSEO-UHFFFAOYSA-N 0 0 473.526 1.712 50 0 JDAARN COc1cc2c(c3oc(=O)c(CC(=O)N[C@@H]4CS(=O)(=O)C[C@H]4O)c(C)c13)CCC(C)(C)O2 ZINC000013692792 555587710 /nfs/dbraw/zinc/58/77/10/555587710.db2.gz HLLGBHFMINZYGR-HUUCEWRRSA-N 0 0 465.524 1.030 50 0 JDAARN COc1cc2c(c3oc(=O)c(CC(=O)N[C@@H]4CS(=O)(=O)C[C@@H]4O)c(C)c13)CCC(C)(C)O2 ZINC000013692790 555587726 /nfs/dbraw/zinc/58/77/26/555587726.db2.gz HLLGBHFMINZYGR-CABCVRRESA-N 0 0 465.524 1.030 50 0 JDAARN O=C(Cn1c2sc3c(c2c2nc(-c4ccncc4)nn2c1=O)CCCC3)N1CCOCC1 ZINC000013693318 555588292 /nfs/dbraw/zinc/58/82/92/555588292.db2.gz BMZYIRHYPKRDRR-UHFFFAOYSA-N 0 0 450.524 1.905 50 0 JDAARN CCN(CC)C(=O)Cn1cnc2sc(C(=O)N3CCN(c4ccccn4)CC3)c(C)c2c1=O ZINC000010013117 555593645 /nfs/dbraw/zinc/59/36/45/555593645.db2.gz YRMRJIFHKSEDRC-UHFFFAOYSA-N 0 0 468.583 1.992 50 0 JDAARN CCN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)N[C@]2(C)CCS(=O)(=O)C2)cn3C2CC2)CC1 ZINC000013720621 555596346 /nfs/dbraw/zinc/59/63/46/555596346.db2.gz GEIHTPCKLYVYCG-XMMPIXPASA-N 0 0 490.601 1.924 50 0 JDAARN COc1ccc(OC)c(CCNS(=O)(=O)c2cc(N3C(=O)[C@@H](C)CS3(=O)=O)ccc2OC)c1 ZINC000013721782 555597554 /nfs/dbraw/zinc/59/75/54/555597554.db2.gz DUVGMTWGJCQLDM-AWEZNQCLSA-N 0 0 498.579 1.546 50 0 JDAARN COc1ccc(OC)c(CCNS(=O)(=O)c2ccc(N3C(=O)C(C)(C)CS3(=O)=O)cc2)c1 ZINC000013724297 555599630 /nfs/dbraw/zinc/59/96/30/555599630.db2.gz ZRDXACGAQYKSKQ-UHFFFAOYSA-N 0 0 482.580 1.927 50 0 JDAARN COc1cccc(CCNS(=O)(=O)c2cc(N3C(=O)C(C)(C)CS3(=O)=O)ccc2OC)c1 ZINC000013725054 555600012 /nfs/dbraw/zinc/60/00/12/555600012.db2.gz QWYKISKRTMRHRR-UHFFFAOYSA-N 0 0 482.580 1.927 50 0 JDAARN CCOc1ccc(N2C(=O)[C@@H](C)CS2(=O)=O)cc1S(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000013726474 555600594 /nfs/dbraw/zinc/60/05/94/555600594.db2.gz FXQOLRZUVNUUFJ-INIZCTEOSA-N 0 0 494.595 1.304 50 0 JDAARN COc1ccc(OCCNS(=O)(=O)c2cc(N3C(=O)[C@@H](C)CS3(=O)=O)ccc2OC)cc1 ZINC000013727434 555601207 /nfs/dbraw/zinc/60/12/07/555601207.db2.gz NEPRRBUPVFWXRL-AWEZNQCLSA-N 0 0 484.552 1.374 50 0 JDAARN Cc1cc(N2C(=O)[C@H](C)CS2(=O)=O)ccc1S(=O)(=O)N1CCN(c2ccccc2)CC1 ZINC000013728655 555602171 /nfs/dbraw/zinc/60/21/71/555602171.db2.gz JXQJPHIWWUCQJD-QGZVFWFLSA-N 0 0 463.581 1.818 50 0 JDAARN O=C(CSc1ccc(S(=O)(=O)N2CCCCCC2)cn1)N1CCN(c2ncccn2)CC1 ZINC000010035850 555603061 /nfs/dbraw/zinc/60/30/61/555603061.db2.gz UUHMGZDDMZDMPO-UHFFFAOYSA-N 0 0 476.628 1.877 50 0 JDAARN CC1(C)CS(=O)(=O)N(c2ccc(S(=O)(=O)N3CCN(c4ccccn4)CC3)cc2)C1=O ZINC000013732247 555604117 /nfs/dbraw/zinc/60/41/17/555604117.db2.gz BKIGTOFTIBXXKJ-UHFFFAOYSA-N 0 0 464.569 1.295 50 0 JDAARN COc1cccc(CCNS(=O)(=O)c2ccc(N3C(=O)C(C)(C)CS3(=O)=O)cc2)c1 ZINC000013732089 555604146 /nfs/dbraw/zinc/60/41/46/555604146.db2.gz JZDGLZHALXHULM-UHFFFAOYSA-N 0 0 452.554 1.919 50 0 JDAARN CC(=O)OC[C@H]1O[C@H](Oc2cccc3cccnc32)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000010040397 555605359 /nfs/dbraw/zinc/60/53/59/555605359.db2.gz ZYQZCOGCBDIUDK-IFPLKCGESA-N 0 0 475.450 1.697 50 0 biogenic JDAARN CCOC(=O)c1c(NC(=O)COC(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)sc2c1CC[C@H](C)C2 ZINC000010044892 555607075 /nfs/dbraw/zinc/60/70/75/555607075.db2.gz INJSVORYYCCKIC-XOVSCCBYSA-N 0 0 489.550 1.642 50 0 JDAARN CCOC(=O)N1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(OCC)cc3)C2)CC1 ZINC000010078197 555616130 /nfs/dbraw/zinc/61/61/30/555616130.db2.gz FJSYKLHDWWLZAN-KRWDZBQOSA-N 0 0 453.561 1.787 50 0 JDAARN COc1ccc(-n2c3c(c(=O)[nH]c2=O)[C@](NC(=O)c2cccnc2)(C(F)(F)F)C(=O)N3)cc1 ZINC000020069595 555626625 /nfs/dbraw/zinc/62/66/25/555626625.db2.gz QODGGIUYWIEJAK-LJQANCHMSA-N 0 0 461.356 1.069 50 0 JDAARN C[C@]1(NC(=S)Nc2ccc(NC(=S)N[C@@]3(C)CCS(=O)(=O)C3)cc2)CCS(=O)(=O)C1 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/nfs/dbraw/zinc/64/81/36/555648136.db2.gz OIHACWNUPCNTSF-YCRPNKLZSA-N 0 0 464.544 1.147 50 0 JDAARN O=C(CCS(=O)(=O)c1cccc2nsnc21)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000020112204 555649375 /nfs/dbraw/zinc/64/93/75/555649375.db2.gz LEKGYXKHGRXRTF-UHFFFAOYSA-N 0 0 474.564 1.928 50 0 JDAARN CCS(=O)(=O)N1CCC(C(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)CC1 ZINC000010217267 555649784 /nfs/dbraw/zinc/64/97/84/555649784.db2.gz OAQWYDMJLNDRCO-UHFFFAOYSA-N 0 0 451.545 1.654 50 0 JDAARN CC(C)(C)NC(=O)CN1CCCN(C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 ZINC000010220122 555653315 /nfs/dbraw/zinc/65/33/15/555653315.db2.gz VFAIULBCBWPBQE-UHFFFAOYSA-N 0 0 450.605 1.534 50 0 JDAARN COc1cc2[nH]c(=O)n(CCC(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)c(=O)c2cc1OC ZINC000020117039 555654491 /nfs/dbraw/zinc/65/44/91/555654491.db2.gz PCZSFDVUNYTLEZ-UHFFFAOYSA-N 0 0 496.520 1.170 50 0 JDAARN CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NCCc3ccc(-n4cccn4)cc3)c2)CC1 ZINC000010222376 555654720 /nfs/dbraw/zinc/65/47/20/555654720.db2.gz RHYDKDJTVUOQPP-UHFFFAOYSA-N 0 0 481.578 1.698 50 0 JDAARN Cc1cn2c(nc3c2c(=O)n(Cc2ccc(F)cc2)c(=O)n3C)n1-c1ccc(S(N)(=O)=O)cc1 ZINC000010233461 555658487 /nfs/dbraw/zinc/65/84/87/555658487.db2.gz QUXNAMHCEOWIGR-UHFFFAOYSA-N 0 0 482.497 1.282 50 0 JDAARN Cc1c(C)n(-c2ccc(S(N)(=O)=O)cc2)c2nc3c(c(=O)n(Cc4cccc(C)c4)c(=O)n3C)n12 ZINC000010233688 555658493 /nfs/dbraw/zinc/65/84/93/555658493.db2.gz WJQAUJDEPGXTEG-UHFFFAOYSA-N 0 0 492.561 1.760 50 0 JDAARN Cc1cn2c(nc3c2c(=O)n(Cc2ccc(Br)cc2)c(=O)n3C)n1CCOCCO ZINC000010233374 555658495 /nfs/dbraw/zinc/65/84/95/555658495.db2.gz RIWVBDLKFPCVGX-UHFFFAOYSA-N 0 0 476.331 1.278 50 0 JDAARN Cc1cn2c(nc3c2c(=O)n(C/C=C/c2ccccc2)c(=O)n3C)n1-c1ccc(S(N)(=O)=O)cc1 ZINC000010233467 555658497 /nfs/dbraw/zinc/65/84/97/555658497.db2.gz DKVSSMBJDVQZLD-RMKNXTFCSA-N 0 0 490.545 1.808 50 0 JDAARN Cc1cn2c3c(nc2n1-c1ccc(S(N)(=O)=O)cc1)n(C)c(=O)n(Cc1ccccc1C)c3=O ZINC000010233456 555658506 /nfs/dbraw/zinc/65/85/06/555658506.db2.gz FFUDBNGHKSGRDI-UHFFFAOYSA-N 0 0 478.534 1.451 50 0 JDAARN NC(=O)[C@@H]1CN(C(=O)CSc2nc3ccccc3c(=O)n2C[C@@H]2CCCO2)c2ccccc2O1 ZINC000010239338 555659473 /nfs/dbraw/zinc/65/94/73/555659473.db2.gz QTRAAWZSNMQXQA-YWZLYKJASA-N 0 0 480.546 1.947 50 0 JDAARN CCOC(=O)N1CCN(C(=O)CSc2nc3c4ccccc4[nH]c3c(=O)n2CCOC)CC1 ZINC000010245324 555659733 /nfs/dbraw/zinc/65/97/33/555659733.db2.gz CNVOKGGHGAFXEE-UHFFFAOYSA-N 0 0 473.555 1.917 50 0 JDAARN COc1ccc(S(N)(=O)=O)cc1C(=O)O[C@H](C)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000010246987 555659992 /nfs/dbraw/zinc/65/99/92/555659992.db2.gz VWNNFTHTLPWSOY-CQSZACIVSA-N 0 0 463.512 1.363 50 0 JDAARN CCc1nnc(NC(=O)CSc2nnc(CCNC(=O)c3ccc(OC)cc3)n2C)s1 ZINC000013956138 555660586 /nfs/dbraw/zinc/66/05/86/555660586.db2.gz NLRMGQARCMJBHB-UHFFFAOYSA-N 0 0 461.573 1.941 50 0 JDAARN Cc1ccccc1-n1nc2c(c1NC(=O)C(=O)NCc1ccc3c(c1)OCO3)CS(=O)(=O)C2 ZINC000010250587 555660820 /nfs/dbraw/zinc/66/08/20/555660820.db2.gz RHOKRWKGWRACOG-UHFFFAOYSA-N 0 0 468.491 1.593 50 0 JDAARN COc1ccccc1CNC(=O)C(=O)Nc1c2c(nn1-c1ccc(C)cc1)CS(=O)(=O)C2 ZINC000010250494 555660826 /nfs/dbraw/zinc/66/08/26/555660826.db2.gz QZWUKNSDTKQPDF-UHFFFAOYSA-N 0 0 454.508 1.873 50 0 JDAARN CCOC(=O)C1=C(CN2CCC(C(N)=O)CC2)NC(=O)N[C@H]1c1ccc(OC)c(COC)c1 ZINC000013960842 555664829 /nfs/dbraw/zinc/66/48/29/555664829.db2.gz WKKGTZGGFPAHLY-FQEVSTJZSA-N 0 0 460.531 1.210 50 0 JDAARN CCOC(=O)C1=C(CN2CCN(C(=O)OCC)CC2)NC(=O)N[C@@H]1c1ccc(OC)c(COC)c1 ZINC000013960829 555664846 /nfs/dbraw/zinc/66/48/46/555664846.db2.gz LMQPOMZQGDDJHV-OAQYLSRUSA-N 0 0 490.557 1.787 50 0 JDAARN CCOC(=O)C1=C(CN(C)Cc2ccnn2C)NC(=O)N[C@@H]1c1ccc(OC)c(COC)c1 ZINC000013960879 555665242 /nfs/dbraw/zinc/66/52/42/555665242.db2.gz ZZIBRMJZRSBHOJ-OAQYLSRUSA-N 0 0 457.531 1.878 50 0 JDAARN Cc1ccc(S(=O)(=O)NCCC(=O)NCc2ccccc2)c(C)c1N(C)S(C)(=O)=O ZINC000010272073 555665564 /nfs/dbraw/zinc/66/55/64/555665564.db2.gz PEWQKKOIVGXSPD-UHFFFAOYSA-N 0 0 453.586 1.684 50 0 JDAARN COC(=O)C1=C(CS(=O)(=O)c2ccc(OC)c(OC)c2)NC(=O)N[C@@H]1c1ccc(O)c(OC)c1 ZINC000010273639 555668421 /nfs/dbraw/zinc/66/84/21/555668421.db2.gz UFEYMKNSFZPREI-HXUWFJFHSA-N 0 0 492.506 1.673 50 0 JDAARN COc1ccc(-c2noc(CN3CCN(C(=O)CCn4c(=O)[nH]c(=O)c5ccccc54)CC3)n2)cc1 ZINC000014014327 555670624 /nfs/dbraw/zinc/67/06/24/555670624.db2.gz LDNGZLOHCOQRLK-UHFFFAOYSA-N 0 0 490.520 1.483 50 0 JDAARN C[C@@]1(c2ccc3c(c2)OCCO3)NC(=O)N(CC(=O)NC[C@@H]2COc3ccccc3O2)C1=O ZINC000010276584 555671149 /nfs/dbraw/zinc/67/11/49/555671149.db2.gz YWFBMKDHTKXYHX-CMJOXMDJSA-N 0 0 453.451 1.181 50 0 JDAARN COCCCNC(=O)Cn1c2ccccc2c(=O)n(CCCCC(=O)NCc2ccco2)c1=O ZINC000020153064 555671588 /nfs/dbraw/zinc/67/15/88/555671588.db2.gz NWVCMENEQCTPJF-UHFFFAOYSA-N 0 0 470.526 1.396 50 0 JDAARN COc1ccc(NC(=O)Cn2c3ccccc3c(=O)n(CC(=O)NC3CCCC3)c2=O)cc1OC ZINC000020153148 555671848 /nfs/dbraw/zinc/67/18/48/555671848.db2.gz IMXRAJJYBQFOGT-UHFFFAOYSA-N 0 0 480.521 1.878 50 0 JDAARN O=C([C@H](c1ccccc1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)N1CCOCC1 ZINC000014022840 555673930 /nfs/dbraw/zinc/67/39/30/555673930.db2.gz NHFOMNQNVCZGPT-QHCPKHFHSA-N 0 0 487.578 1.364 50 0 JDAARN O=C(Nc1ccc2c(c1)OCCCO2)c1cccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)c1 ZINC000014066456 555675680 /nfs/dbraw/zinc/67/56/80/555675680.db2.gz CVNVQIYVDCMDRP-INIZCTEOSA-N 0 0 466.537 1.566 50 0 JDAARN C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NCC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000014067506 555676235 /nfs/dbraw/zinc/67/62/35/555676235.db2.gz FNSPZIDKNZMLLJ-QAPCUYQASA-N 0 0 450.561 1.221 50 0 JDAARN COc1ccc(CCNC(=O)c2ccccc2NC(=O)CN(C)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000014069020 555677716 /nfs/dbraw/zinc/67/77/16/555677716.db2.gz OMXVEUMCZUOCKD-GOSISDBHSA-N 0 0 459.568 1.725 50 0 JDAARN CCOC(=O)c1c(N)/c(=C\c2cccnc2)c2n1C(=O)[C@H](c1cccnc1)SC=2C(=O)OC ZINC000020167944 555678034 /nfs/dbraw/zinc/67/80/34/555678034.db2.gz IXKRUDYYXDLRCE-XATQLNLPSA-N 0 0 464.503 1.275 50 0 JDAARN CCOC(=O)c1sc(NC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)nc1C ZINC000020168250 555678957 /nfs/dbraw/zinc/67/89/57/555678957.db2.gz BTBOIGAAKXKBDW-UHFFFAOYSA-N 0 0 466.585 1.882 50 0 JDAARN NS(=O)(=O)Cc1ccc(CNC(=O)C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)cc1 ZINC000014070823 555678961 /nfs/dbraw/zinc/67/89/61/555678961.db2.gz PGJFLSYOMQZSHE-UHFFFAOYSA-N 0 0 497.503 1.464 50 0 JDAARN COc1ccc(C2(c3ccc(OC)cc3)NC(=O)N(CN3CCCC[C@@H]3C(N)=O)C2=O)cc1 ZINC000014075682 555679738 /nfs/dbraw/zinc/67/97/38/555679738.db2.gz JYNHCJCOXWJKFP-HXUWFJFHSA-N 0 0 452.511 1.797 50 0 JDAARN CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CN3C(=O)N[C@@]4(CCCC[C@H]4C)C3=O)CC2)cc1 ZINC000014093267 555685604 /nfs/dbraw/zinc/68/56/04/555685604.db2.gz QRWXCFRPVXZKFN-WAIKUNEKSA-N 0 0 490.582 1.223 50 0 JDAARN CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CN3C(=O)N[C@]4(CCCC[C@H]4C)C3=O)CC2)cc1 ZINC000014093269 555685838 /nfs/dbraw/zinc/68/58/38/555685838.db2.gz QRWXCFRPVXZKFN-MWTRTKDXSA-N 0 0 490.582 1.223 50 0 JDAARN 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JAJPBGCXJJWZLP-UHFFFAOYSA-N 0 0 464.519 1.738 50 0 JDAARN CCCCn1c2nc(CN3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)n(CC)c2c(=O)[nH]c1=O ZINC000015407335 555904227 /nfs/dbraw/zinc/90/42/27/555904227.db2.gz NPCULHOLWBOHIU-UHFFFAOYSA-N 0 0 492.577 1.352 50 0 JDAARN COCCCNC(=O)c1ccc(-n2nnnc2[C@H]2c3c(cc4c(c3OC)OCO4)CCN2C)cc1 ZINC000015414815 555906471 /nfs/dbraw/zinc/90/64/71/555906471.db2.gz JLCVZEFCXNBQOM-HXUWFJFHSA-N 0 0 480.525 1.743 50 0 biogenic JDAARN COc1c2c(cc3c1[C@@H](c1nnnn1-c1cccc(N4C(=O)CCC4=O)c1)N(C)CC3)OCO2 ZINC000015415517 555907376 /nfs/dbraw/zinc/90/73/76/555907376.db2.gz DEGLZDAZQAUDAD-FQEVSTJZSA-N 0 0 462.466 1.630 50 0 biogenic JDAARN COCC(=O)Nc1cc(C(=O)N[C@@H]2CCS(=O)(=O)C2)cc2nc(-c3ccccc3)n(C)c21 ZINC000012126710 555910346 /nfs/dbraw/zinc/91/03/46/555910346.db2.gz VWQGLBYLSKMQRU-MRXNPFEDSA-N 0 0 456.524 1.742 50 0 JDAARN O=C(NN1C(=O)NC2(CCCCC2)C1=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000015497400 555911455 /nfs/dbraw/zinc/91/14/55/555911455.db2.gz YNKOXSVAMDPZIY-AWEZNQCLSA-N 0 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CCc1ccccc1NC(=O)CN(C)C(=O)c1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 ZINC000015558245 555915446 /nfs/dbraw/zinc/91/54/46/555915446.db2.gz KBVFSKOSKYNKQY-UHFFFAOYSA-N 0 0 486.594 1.813 50 0 JDAARN CCCN(C(=O)Cn1nc(C)c(S(=O)(=O)N(C)Cc2ccco2)c1C)[C@H]1CCS(=O)(=O)C1 ZINC000015565875 555915668 /nfs/dbraw/zinc/91/56/68/555915668.db2.gz QBYBXJRDBCLNNJ-KRWDZBQOSA-N 0 0 486.616 1.339 50 0 JDAARN CNC(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)cc1 ZINC000015565709 555915716 /nfs/dbraw/zinc/91/57/16/555915716.db2.gz LHWVTCDSPIVZFB-UHFFFAOYSA-N 0 0 473.960 1.521 50 0 JDAARN O=C(CCCCCNS(=O)(=O)c1ccc2c(c1)OCCO2)Nn1cnc2ccccc2c1=O ZINC000015576060 555916312 /nfs/dbraw/zinc/91/63/12/555916312.db2.gz IGZXIKLBXRKROQ-UHFFFAOYSA-N 0 0 472.523 1.777 50 0 JDAARN O=C(NCCc1c[nH]c2ccccc12)C(=O)NC[C@H]1OCCCN1S(=O)(=O)c1cccs1 ZINC000012140283 555917552 /nfs/dbraw/zinc/91/75/52/555917552.db2.gz DHSRKHRNYPKJHO-GOSISDBHSA-N 0 0 476.580 1.442 50 0 JDAARN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NS(=O)(=O)c1ccc(C)c(C(N)=O)c1 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/nfs/dbraw/zinc/92/85/29/555928529.db2.gz LIGIHTRZFDFDAN-MRXNPFEDSA-N 0 0 452.559 1.634 50 0 JDAARN COc1cc(C(=O)NCCCS(=O)(=O)N2CCN(c3ccccn3)CC2)cc(OC)c1OC ZINC000012163107 555931555 /nfs/dbraw/zinc/93/15/55/555931555.db2.gz UANWMCKBPGWTIV-UHFFFAOYSA-N 0 0 478.571 1.379 50 0 JDAARN CC(C)(Oc1ccc(Cl)cc1)C(=O)NCCCS(=O)(=O)N1CCN(c2ncccn2)CC1 ZINC000012164457 555932261 /nfs/dbraw/zinc/93/22/61/555932261.db2.gz BZYMPOAFPZJEOZ-UHFFFAOYSA-N 0 0 482.006 1.946 50 0 JDAARN Cn1cc(OCc2ccc(F)cc2)c(=O)cc1C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000012166293 555933133 /nfs/dbraw/zinc/93/31/33/555933133.db2.gz IZJRKGPVIGXXOY-UHFFFAOYSA-N 0 0 459.499 1.723 50 0 JDAARN COc1cc(=O)n2c(c1C(=O)NCCC(C)C)CCN(C(=O)c1cc3ncccn3n1)CC2 ZINC000012190375 555937406 /nfs/dbraw/zinc/93/74/06/555937406.db2.gz IWUSYGVUVJGENC-UHFFFAOYSA-N 0 0 452.515 1.374 50 0 JDAARN CC[C@@H]1C(=O)NCCN1C(=O)C[C@@]1(c2cccc(F)c2)CC(=O)N(Cc2cccnc2)C1=O ZINC000012191233 555938459 /nfs/dbraw/zinc/93/84/59/555938459.db2.gz OWOZNOOTZRHDSU-DVECYGJZSA-N 0 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O=C(NCCN1CCOCC1)C1CCN(C(=O)c2cnn(-c3ccccc3)c2-n2cccc2)CC1 ZINC000015681236 555950203 /nfs/dbraw/zinc/95/02/03/555950203.db2.gz PWPDCAWQANKQLW-UHFFFAOYSA-N 0 0 476.581 1.964 50 0 JDAARN CS(=O)(=O)N1CCN(C(=O)CCC(=O)N2CCc3[nH]c4c(cccc4Br)c3C2)CC1 ZINC000012321083 555951479 /nfs/dbraw/zinc/95/14/79/555951479.db2.gz VUNUDFNQWBDWIW-UHFFFAOYSA-N 0 0 497.415 1.699 50 0 JDAARN CCOC(=O)N1CCN(C(=O)c2c(F)c(F)c3c(c2F)N(CCCOC)CCS3(=O)=O)CC1 ZINC000012321516 555951747 /nfs/dbraw/zinc/95/17/47/555951747.db2.gz RPBQXYLBWLQAKY-UHFFFAOYSA-N 0 0 493.504 1.648 50 0 JDAARN Cc1ccc(NC(=O)CCNS(=O)(=O)c2ccccc2F)cc1S(=O)(=O)N1CCOCC1 ZINC000015704412 555952489 /nfs/dbraw/zinc/95/24/89/555952489.db2.gz FQEYEPBEIDPZRA-UHFFFAOYSA-N 0 0 485.559 1.462 50 0 JDAARN Cc1ccc(S(=O)(=O)N2CCOC23CCN(C(=O)C(=O)NCc2ccccc2)CC3)cc1 ZINC000012342421 555955559 /nfs/dbraw/zinc/95/55/59/555955559.db2.gz UTIKRKRPXQVPHT-UHFFFAOYSA-N 0 0 457.552 1.651 50 0 JDAARN O=C(NC[C@@H](c1ccc2c(c1)OCO2)N1CCN(c2ccc(F)cc2)CC1)C(=O)NC[C@H]1CCCO1 ZINC000022851457 555957590 /nfs/dbraw/zinc/95/75/90/555957590.db2.gz OMGVNTFBHUGSLZ-YADHBBJMSA-N 0 0 498.555 1.829 50 0 JDAARN O=C(NC[C@H](c1ccc2c(c1)OCO2)N1CCN(c2ccc(F)cc2)CC1)C(=O)NC[C@H]1CCCO1 ZINC000022851459 555957613 /nfs/dbraw/zinc/95/76/13/555957613.db2.gz OMGVNTFBHUGSLZ-FGZHOGPDSA-N 0 0 498.555 1.829 50 0 JDAARN COCCNC(=O)C(=O)NC[C@@H](c1ccc2c(c1)OCO2)N1CCN(c2ccc(F)cc2)CC1 ZINC000022851435 555957634 /nfs/dbraw/zinc/95/76/34/555957634.db2.gz NQNFYRMTYFVYIW-FQEVSTJZSA-N 0 0 472.517 1.297 50 0 JDAARN O=C(NC[C@@H](c1ccc2c(c1)OCO2)N1CCN(c2ccc(F)cc2)CC1)C(=O)NC[C@@H]1CCCO1 ZINC000022851453 555957657 /nfs/dbraw/zinc/95/76/57/555957657.db2.gz OMGVNTFBHUGSLZ-VXKWHMMOSA-N 0 0 498.555 1.829 50 0 JDAARN O=C(NC[C@@H](c1ccc2c(c1)OCO2)N1CCN(c2ccccc2F)CC1)C(=O)NC[C@@H]1CCCO1 ZINC000022851578 555957923 /nfs/dbraw/zinc/95/79/23/555957923.db2.gz ZOSSUOJYNXBUNU-UGKGYDQZSA-N 0 0 498.555 1.829 50 0 JDAARN CN1C(=O)c2cc(C(=O)N3CCC4(CC3)OCCO4)nn2C[C@@]1(C)C(=O)NCc1ccc(F)cc1 ZINC000015723825 555958747 /nfs/dbraw/zinc/95/87/47/555958747.db2.gz WGZYXXVQQIJRNW-QHCPKHFHSA-N 0 0 485.516 1.162 50 0 biogenic JDAARN C[C@H](Sc1nc(=O)cc(N)n1CCc1ccccc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000012364856 555959882 /nfs/dbraw/zinc/95/98/82/555959882.db2.gz MNEYEMPXNAVQQT-AWEZNQCLSA-N 0 0 473.580 1.835 50 0 JDAARN C[C@@H](Sc1nc(=O)cc(N)n1CCc1ccccc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000012364857 555959907 /nfs/dbraw/zinc/95/99/07/555959907.db2.gz MNEYEMPXNAVQQT-CQSZACIVSA-N 0 0 473.580 1.835 50 0 JDAARN CCOC(=O)C1=c2s/c(=C/c3ccccc3)c(=O)n2C(N)=C(C(=O)OCC)[C@H]1c1ccccc1 ZINC000012368775 555961065 /nfs/dbraw/zinc/96/10/65/555961065.db2.gz PHFSXCSUCQEIDH-LRXXLLMYSA-N 0 0 476.554 1.940 50 0 JDAARN O=C(N[C@H](C(=O)N1CCOCC1)S(=O)(=O)c1ccc2c(c1)OCCO2)c1ccccc1Cl ZINC000012375338 555962174 /nfs/dbraw/zinc/96/21/74/555962174.db2.gz KYZYNYJKUXQHDJ-FQEVSTJZSA-N 0 0 480.926 1.500 50 0 JDAARN O=C(N[C@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2CCc1ccccc1)c1ccccc1 ZINC000012376353 555963767 /nfs/dbraw/zinc/96/37/67/555963767.db2.gz JUVGXJWYPYTOTH-NRFANRHFSA-N 0 0 458.396 1.919 50 0 JDAARN O=C(NC1CCN(C(=O)c2ccoc2)CC1)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000022900858 555964651 /nfs/dbraw/zinc/96/46/51/555964651.db2.gz ISKSYFLTXCFSIQ-IBGZPJMESA-N 0 0 489.550 1.625 50 0 JDAARN COc1ccc(NC(=O)CSc2nc(=O)n(CCN3CCOCC3)c3c2CCC3)cc1OC ZINC000022908844 555965702 /nfs/dbraw/zinc/96/57/02/555965702.db2.gz CZTAMIYNCYIYEK-UHFFFAOYSA-N 0 0 474.583 1.812 50 0 JDAARN CC(=O)OC(OC(C)=O)[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3ccccc3Br)C(=O)[C@@H]12 ZINC000012379834 555967802 /nfs/dbraw/zinc/96/78/02/555967802.db2.gz DNGNDMRQOPIGFT-GPINWOSQSA-N 0 0 450.241 1.714 50 0 JDAARN CCCC[C@]1(c2ccc(F)cc2)NC(=O)N(CN2CCN([C@@H]3CCS(=O)(=O)C3)CC2)C1=O ZINC000022913762 555968894 /nfs/dbraw/zinc/96/88/94/555968894.db2.gz PFNDMSMJYQHLCG-DENIHFKCSA-N 0 0 466.579 1.525 50 0 JDAARN O=C(c1cccc(C(=O)N2CCN(c3ccccn3)CC2)n1)N1CCN(c2ccccn2)CC1 ZINC000015728909 555969018 /nfs/dbraw/zinc/96/90/18/555969018.db2.gz 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NS(=O)(=O)c1ccc(CNC(=O)c2ccc(CNS(=O)(=O)c3ccccc3)cc2)cc1 ZINC000012389570 555972558 /nfs/dbraw/zinc/97/25/58/555972558.db2.gz MTUPOMIKOIIORX-UHFFFAOYSA-N 0 0 459.549 1.743 50 0 JDAARN CCc1ccccc1NC(=O)CN1CCN(CC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)CC1 ZINC000022919149 555972799 /nfs/dbraw/zinc/97/27/99/555972799.db2.gz FALXRPCBKHYZKS-UHFFFAOYSA-N 0 0 481.553 1.925 50 0 JDAARN CC(C)(C)NC(=O)CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2cccc3nsnc32)C1 ZINC000012389758 555973075 /nfs/dbraw/zinc/97/30/75/555973075.db2.gz DYRCMYURXOMWCM-ZDUSSCGKSA-N 0 0 453.590 1.513 50 0 JDAARN CC(C)(C)c1cc(NC(=O)CN2CCN(CC(=O)N3CCOCC3)CC2)n(-c2ccccc2)n1 ZINC000022920035 555973729 /nfs/dbraw/zinc/97/37/29/555973729.db2.gz KVENFEIQHYAVEN-UHFFFAOYSA-N 0 0 468.602 1.585 50 0 JDAARN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CN1CCN(Cc2ccsc2)CC1 ZINC000022919966 555973749 /nfs/dbraw/zinc/97/37/49/555973749.db2.gz KEPMUGCHPQNEOB-UHFFFAOYSA-N 0 0 478.640 1.834 50 0 JDAARN O=C(CN1CCN(CC(=O)N2CCOCC2)CC1)Nc1ccccc1C(=O)NCCc1ccccc1 ZINC000022920357 555974136 /nfs/dbraw/zinc/97/41/36/555974136.db2.gz UWPBLCCIOSFFKG-UHFFFAOYSA-N 0 0 493.608 1.074 50 0 JDAARN CC1=C(C(=O)NCCCN2CCCC2=O)C2(CCN(S(=O)(=O)c3cccs3)CC2)OC1=O ZINC000015731386 555974726 /nfs/dbraw/zinc/97/47/26/555974726.db2.gz SPXFVQWYLQPORR-UHFFFAOYSA-N 0 0 481.596 1.273 50 0 biogenic JDAARN CC(=O)c1ccc(N2CCN(C(=O)CCS(=O)(=O)c3ccc4c(c3)CC(=O)N4C)CC2)cc1 ZINC000015731664 555974793 /nfs/dbraw/zinc/97/47/93/555974793.db2.gz HYWJFPXPMQROOI-UHFFFAOYSA-N 0 0 469.563 1.921 50 0 JDAARN CCN(CC)C(=O)CN1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1 ZINC000012397270 555975353 /nfs/dbraw/zinc/97/53/53/555975353.db2.gz FFKUUPQWBPVNFF-UHFFFAOYSA-N 0 0 450.605 1.487 50 0 JDAARN Cc1cc(Br)ccc1NC(=O)CNC(=O)CN1CCN(CC(=O)N2CCCC2)CC1 ZINC000022921760 555975508 /nfs/dbraw/zinc/97/55/08/555975508.db2.gz SHDCICPZPRVBRL-UHFFFAOYSA-N 0 0 480.407 1.052 50 0 JDAARN COc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2N2CCN(Cc3ccccc3)CC2)cc1 ZINC000022923873 555976156 /nfs/dbraw/zinc/97/61/56/555976156.db2.gz QZKBPDAFWNWGCT-VXKWHMMOSA-N 0 0 464.609 1.452 50 0 JDAARN O=C(NCc1cccc(Br)c1)c1cnc2sc(N3CCOCC3)nn2c1=O ZINC000015732763 555976920 /nfs/dbraw/zinc/97/69/20/555976920.db2.gz PWUGTRUFJABKEB-UHFFFAOYSA-N 0 0 450.318 1.680 50 0 JDAARN COC(=O)c1ccc2c(c1)[n-]c(=S)n(CC(=O)NCC[N@@H+]1CCc3ccccc3C1)c2=O ZINC000012415802 555977134 /nfs/dbraw/zinc/97/71/34/555977134.db2.gz XTPCWGKAZCXJSN-UHFFFAOYSA-N 0 0 452.536 1.646 50 0 JDAARN Cc1nn(-c2ccc(N3CCCC3)nn2)c(C)c1CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000015734411 555980116 /nfs/dbraw/zinc/98/01/16/555980116.db2.gz FSTYOTKEDICSQP-UHFFFAOYSA-N 0 0 461.574 1.951 50 0 JDAARN COc1ccc(C2=NN(C(=O)CN3CCN(CC(=O)N4CCOCC4)CC3)[C@@H](c3ccco3)C2)cc1 ZINC000022932067 555984808 /nfs/dbraw/zinc/98/48/08/555984808.db2.gz GMDKLGRFVBAGLP-HSZRJFAPSA-N 0 0 495.580 1.442 50 0 JDAARN CCOc1ccc(OCCNC(=O)COC(=O)[C@H](C)NC2=NS(=O)(=O)c3ccccc32)cc1 ZINC000015752919 555985266 /nfs/dbraw/zinc/98/52/66/555985266.db2.gz MLRMMDRTQCVVBW-HNNXBMFYSA-N 0 0 475.523 1.251 50 0 JDAARN COc1ccc(NC(=O)N2CCC(N3CCN(Cc4ccccn4)C(=O)C3=O)CC2)cc1OC ZINC000015774841 555993092 /nfs/dbraw/zinc/99/30/92/555993092.db2.gz OMUMBJCYTDMHIC-UHFFFAOYSA-N 0 0 467.526 1.966 50 0 JDAARN COc1ccc(CNC(=O)CNC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 ZINC000015775219 555993445 /nfs/dbraw/zinc/99/34/45/555993445.db2.gz HCLJGUVXKSLULV-UHFFFAOYSA-N 0 0 459.568 1.837 50 0 JDAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCCC3)cc2C[C@@H]1C(=O)NCc1c(C)nn(C)c1C ZINC000015775576 555993945 /nfs/dbraw/zinc/99/39/45/555993945.db2.gz CNTRSFCENJEFEO-OAQYLSRUSA-N 0 0 459.572 1.415 50 0 JDAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCOCC3)cc2C[C@H]1C(=O)NCc1ccc(F)cc1 ZINC000015775831 555994527 /nfs/dbraw/zinc/99/45/27/555994527.db2.gz AHUXENQYBRTVSE-NRFANRHFSA-N 0 0 461.515 1.441 50 0 JDAARN COc1ccc(CNC(=O)[C@@H]2Cc3cc(S(=O)(=O)N4CCOCC4)ccc3N2C(C)=O)cc1 ZINC000015775773 555994550 /nfs/dbraw/zinc/99/45/50/555994550.db2.gz GFKHOMJPVCJIKY-QFIPXVFZSA-N 0 0 473.551 1.310 50 0 JDAARN COc1cccc(CNC(=O)[C@@H]2Cc3cc(S(=O)(=O)N4CCOCC4)ccc3N2C(C)=O)c1 ZINC000015775825 555994578 /nfs/dbraw/zinc/99/45/78/555994578.db2.gz LXYDXCXLBNTITO-QFIPXVFZSA-N 0 0 473.551 1.310 50 0 JDAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCOCC3)cc2C[C@H]1C(=O)NCCc1ccccc1Cl ZINC000015775897 555994896 /nfs/dbraw/zinc/99/48/96/555994896.db2.gz LODZNLCQBSLPMN-QFIPXVFZSA-N 0 0 491.997 1.997 50 0 JDAARN COCCCN1C(=O)c2ccc(C(=O)NCCNS(=O)(=O)c3ccc(OC)cc3)cc2C1=O ZINC000022987584 555995397 /nfs/dbraw/zinc/99/53/97/555995397.db2.gz UXIMWCUJOSYUDL-UHFFFAOYSA-N 0 0 475.523 1.036 50 0 JDAARN Cc1c(NC(=O)CCSc2nnc(C[C@@H]3CCS(=O)(=O)C3)o2)c(=O)n(-c2ccccc2)n1C ZINC000022988670 555995409 /nfs/dbraw/zinc/99/54/09/555995409.db2.gz WZMGXVULGIYKGP-HNNXBMFYSA-N 0 0 491.595 1.966 50 0 JDAARN CCN(C(=O)CCc1nc(-c2ccco2)no1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000022990882 555995634 /nfs/dbraw/zinc/99/56/34/555995634.db2.gz OCJXUUPEVGJDIJ-UHFFFAOYSA-N 0 0 450.455 1.796 50 0 JDAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)C[C@H](C(=O)NCc1c(C)nn(C)c1C)N2C(C)=O ZINC000015775994 555995665 /nfs/dbraw/zinc/99/56/65/555995665.db2.gz DVAMFHAGWUIYLH-OAQYLSRUSA-N 0 0 461.588 1.661 50 0 JDAARN CSc1ncccc1C(=O)OCC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 ZINC000012528970 555997792 /nfs/dbraw/zinc/99/77/92/555997792.db2.gz OPEZJWWIRHUHAC-UHFFFAOYSA-N 0 0 465.553 1.928 50 0 JDAARN Cc1ccc(NC(=O)[C@@H](C)N2C(=O)NC3(CCCC3)C2=O)cc1S(=O)(=O)N1CCOCC1 ZINC000012529449 555998993 /nfs/dbraw/zinc/99/89/93/555998993.db2.gz BQEKEEVXDHKTKH-OAHLLOKOSA-N 0 0 464.544 1.208 50 0 JDAARN NS(=O)(=O)c1ccc(Br)c(C(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)c1 ZINC000023011904 555999934 /nfs/dbraw/zinc/99/99/34/555999934.db2.gz PCAVJWMZELOEPQ-UHFFFAOYSA-N 0 0 497.371 1.620 50 0 JDAARN O=C(COC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)N1CCN(c2ccccn2)CC1 ZINC000023022414 556000448 /nfs/dbraw/zinc/00/04/48/556000448.db2.gz GSALRSHRODZVOO-UHFFFAOYSA-N 0 0 490.557 1.513 50 0 JDAARN COc1ccc(S(=O)(=O)N(C)CCCC(=O)N2C[C@@H](C(=O)N(C)C)Oc3ccccc32)cc1 ZINC000023023341 556000576 /nfs/dbraw/zinc/00/05/76/556000576.db2.gz 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C[C@@H]1CCCC[C@@]12NC(=O)N(CN1CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC1)C2=O ZINC000023762817 556087875 /nfs/dbraw/zinc/08/78/75/556087875.db2.gz OAGVIPLPRZCNKQ-UZUQRXQVSA-N 0 0 492.598 1.612 50 0 JDAARN COc1ccccc1CN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CC(N)=O)N[C@@]21c2cc(C)cc(C)c2NC1=O ZINC000015959142 556090627 /nfs/dbraw/zinc/09/06/27/556090627.db2.gz UVLDJCCGURYQSV-OIBPMIBVSA-N 0 0 462.506 1.108 50 0 biogenic JDAARN COc1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)[C@H](CC(N)=O)N[C@@]32c3ccc(C)c(C)c3NC2=O)cc1 ZINC000015958953 556090692 /nfs/dbraw/zinc/09/06/92/556090692.db2.gz PMFKKVJEXDPCGE-UJAPCULTSA-N 0 0 462.506 1.108 50 0 biogenic JDAARN COc1ccc([C@]2(C)NC(=O)N(CC(=O)OCC(=O)c3ccc(OC)c(OC)c3)C2=O)cc1 ZINC000023845293 556091481 /nfs/dbraw/zinc/09/14/81/556091481.db2.gz UUQTXNHLCHZKKK-QHCPKHFHSA-N 0 0 456.451 1.906 50 0 JDAARN COc1ccc([C@@]2(C)NC(=O)N(CC(=O)OCC(=O)c3ccc4c(c3)OCCO4)C2=O)cc1 ZINC000023845877 556091636 /nfs/dbraw/zinc/09/16/36/556091636.db2.gz AKAHEPTYOAXOLN-HSZRJFAPSA-N 0 0 454.435 1.660 50 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CCCCn1c(CN(C)[C@@H]2CCS(=O)(=O)C2)nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 ZINC000023873023 556096237 /nfs/dbraw/zinc/09/62/37/556096237.db2.gz JSGLTZCMTUMHFS-QGZVFWFLSA-N 0 0 459.572 1.354 50 0 JDAARN Nc1[nH]c(=O)[nH]c(=O)c1[C@@H](c1cccc(F)c1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000023873223 556096772 /nfs/dbraw/zinc/09/67/72/556096772.db2.gz FHHVTRSUJKWFPW-LJQANCHMSA-N 0 0 473.530 1.022 50 0 JDAARN O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000023873353 556097110 /nfs/dbraw/zinc/09/71/10/556097110.db2.gz ONJAKICOIDPSIX-KRWDZBQOSA-N 0 0 472.592 1.456 50 0 JDAARN C[C@@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CC(=O)OCC(=O)NCC(=O)Nc1ccc(F)cc1)C2=O ZINC000023881815 556098068 /nfs/dbraw/zinc/09/80/68/556098068.db2.gz IDAHQIWYPJIWOT-PSLXWICFSA-N 0 0 476.505 1.560 50 0 JDAARN NC(=O)Cn1c(CN2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)nc2ccccc2c1=O ZINC000023882878 556098450 /nfs/dbraw/zinc/09/84/50/556098450.db2.gz ZDFPDUGABKZVLX-UHFFFAOYSA-N 0 0 495.605 1.267 50 0 JDAARN COC(=O)[C@@H](CC(C)C)NC(=O)C1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C)cc2)CC1 ZINC000015989284 556101965 /nfs/dbraw/zinc/10/19/65/556101965.db2.gz NGOYSXKQJRVJFL-FXAWDEMLSA-N 0 0 481.615 1.604 50 0 JDAARN COc1ccc(CNC(=O)[C@@H]2CS[C@](C)(C(=O)NCc3ccc(OC)cc3)N2C(=O)CO)cc1 ZINC000016000901 556105690 /nfs/dbraw/zinc/10/56/90/556105690.db2.gz LSMHLOXPVFVJQQ-GBXCKJPGSA-N 0 0 487.578 1.289 50 0 JDAARN CCCn1c(CN2CCN(c3ncccn3)CC2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000023967612 556106885 /nfs/dbraw/zinc/10/68/85/556106885.db2.gz YJAWBIIFIHCMEX-UHFFFAOYSA-N 0 0 485.614 1.579 50 0 JDAARN Cc1c2c(ccc1Cl)[C@]1(N[C@@H](CC(N)=O)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]31)C(=O)N2 ZINC000016009780 556108509 /nfs/dbraw/zinc/10/85/09/556108509.db2.gz OQIFGHCCGGCTNG-XQNUDUSMSA-N 0 0 452.898 1.444 50 0 JDAARN Cc1cc2c(c(Cl)c1)NC(=O)[C@]21N[C@H](CC(N)=O)[C@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]21 ZINC000016009734 556108668 /nfs/dbraw/zinc/10/86/68/556108668.db2.gz POBTUOSSPLAQCR-VGHKVXAASA-N 0 0 470.888 1.584 50 0 JDAARN Cc1ccccc1Nc1nc(N)nc(CN2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)n1 ZINC000023968454 556108888 /nfs/dbraw/zinc/10/88/88/556108888.db2.gz XEFTUKLGQLVMEE-UHFFFAOYSA-N 0 0 497.581 1.784 50 0 JDAARN Cc1c2c(ccc1Cl)[C@@]1(N[C@@H](CC(N)=O)[C@H]3C(=O)N(Cc4ccc(F)cc4)C(=O)[C@H]31)C(=O)N2 ZINC000016010202 556109682 /nfs/dbraw/zinc/10/96/82/556109682.db2.gz BDRYVDPONKBAAI-XITLKHQFSA-N 0 0 470.888 1.584 50 0 JDAARN Cc1c2c(ccc1Cl)[C@@]1(N[C@H](CC(N)=O)[C@H]3C(=O)N(Cc4ccc(F)cc4)C(=O)[C@H]31)C(=O)N2 ZINC000016010204 556109749 /nfs/dbraw/zinc/10/97/49/556109749.db2.gz BDRYVDPONKBAAI-VGHKVXAASA-N 0 0 470.888 1.584 50 0 JDAARN NC(=O)C[C@H]1N[C@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]12 ZINC000016013137 556111987 /nfs/dbraw/zinc/11/19/87/556111987.db2.gz VSKSPZHWNJAIFH-XNGFIGEISA-N 0 0 456.861 1.275 50 0 JDAARN Cc1cc(Cl)cc2c1NC(=O)[C@]21N[C@H](CC(N)=O)[C@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]21 ZINC000016013101 556112063 /nfs/dbraw/zinc/11/20/63/556112063.db2.gz SRVZEVYTLGSSDP-VGHKVXAASA-N 0 0 470.888 1.584 50 0 JDAARN COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@H]([C@@H](C)O)N[C@]32C(=O)Nc3ccc(Cl)cc32)cc1OC ZINC000016022095 556114662 /nfs/dbraw/zinc/11/46/62/556114662.db2.gz XHTCCVSZASATDB-WEFZHDDSSA-N 0 0 499.951 1.701 50 0 JDAARN COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@H]([C@@H](C)O)N[C@]32C(=O)Nc3c2cccc3Cl)cc1OC ZINC000016024681 556115326 /nfs/dbraw/zinc/11/53/26/556115326.db2.gz DGURENURTFDDPW-CHASEMBWSA-N 0 0 499.951 1.701 50 0 JDAARN O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1)c1ccccc1 ZINC000023995322 556115380 /nfs/dbraw/zinc/11/53/80/556115380.db2.gz BOZWDNYVRYGBGP-VXKWHMMOSA-N 0 0 455.580 1.359 50 0 JDAARN O=C(c1cc(N2CCOCC2)ccn1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000023995542 556115387 /nfs/dbraw/zinc/11/53/87/556115387.db2.gz ZMPZMPTWUYKRLA-UHFFFAOYSA-N 0 0 456.977 1.780 50 0 JDAARN O=C(NCCCN1CCOCC1)c1cc(S(=O)(=O)NCCCN2CCCC2=O)ccc1Cl ZINC000023995121 556115422 /nfs/dbraw/zinc/11/54/22/556115422.db2.gz KXGZKQOYQJXQKJ-UHFFFAOYSA-N 0 0 487.022 1.083 50 0 JDAARN Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)CC1 ZINC000023995173 556115445 /nfs/dbraw/zinc/11/54/45/556115445.db2.gz DPFDROBHZZZGJW-UHFFFAOYSA-N 0 0 488.610 1.971 50 0 JDAARN CCCCn1c(N)c(N(CCOC)C(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)c(=O)[nH]c1=O ZINC000024005931 556115943 /nfs/dbraw/zinc/11/59/43/556115943.db2.gz WFJGRBYCFHVDOI-INIZCTEOSA-N 0 0 457.531 1.260 50 0 JDAARN O=C(c1ccc(N2C(=O)CCC2=O)cc1)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 ZINC000024019362 556116398 /nfs/dbraw/zinc/11/63/98/556116398.db2.gz XMELXYYQEUWYPI-UHFFFAOYSA-N 0 0 463.462 1.765 50 0 JDAARN CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3cnc4c(c3)c(C)nn4C)cc2)CC1 ZINC000024033045 556117604 /nfs/dbraw/zinc/11/76/04/556117604.db2.gz BPUDDPDLPCTKAC-UHFFFAOYSA-N 0 0 456.528 1.382 50 0 JDAARN C[C@H](OC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000024046565 556117972 /nfs/dbraw/zinc/11/79/72/556117972.db2.gz YKCHYSIAJRJWJH-HNNXBMFYSA-N 0 0 496.563 1.507 50 0 JDAARN COc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cc(C(N)=O)n(C)c3)CC2)c(OC)c1 ZINC000012860588 556119361 /nfs/dbraw/zinc/11/93/61/556119361.db2.gz WESOXJBIVIGFRP-UHFFFAOYSA-N 0 0 450.517 1.181 50 0 JDAARN C[C@H]1CN(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C[C@H](C)O1 ZINC000012860902 556119649 /nfs/dbraw/zinc/11/96/49/556119649.db2.gz WMLQOELTNRBOKX-HOTGVXAUSA-N 0 0 457.980 1.589 50 0 JDAARN CN(C)c1cccc(C(=O)N2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cn3)CC2)c1 ZINC000024096833 556121235 /nfs/dbraw/zinc/12/12/35/556121235.db2.gz FHLMZGZXZHKCPV-UHFFFAOYSA-N 0 0 459.572 1.131 50 0 JDAARN CCn1c2ccc(C(=O)N3CCC(C(=O)Nc4ccc(S(N)(=O)=O)cc4)CC3)cc2nc(C)c1=O ZINC000024111868 556122057 /nfs/dbraw/zinc/12/20/57/556122057.db2.gz MCHZXFPAFNNKRL-UHFFFAOYSA-N 0 0 497.577 1.863 50 0 JDAARN COC(=O)c1ccc2c(c1)nc(SCC(=O)N1CCC[C@@H](C(N)=O)C1)n(CC(C)C)c2=O ZINC000024146021 556123384 /nfs/dbraw/zinc/12/33/84/556123384.db2.gz OGEMLTOLOYZWRX-OAHLLOKOSA-N 0 0 460.556 1.655 50 0 JDAARN CC1CCN(S(=O)(=O)c2ccc(C(=O)N(C[C@@H]3CCCO3)[C@@H]3CCS(=O)(=O)C3)cc2)CC1 ZINC000016044993 556125560 /nfs/dbraw/zinc/12/55/60/556125560.db2.gz CQHGDMVPONFQQL-UXHICEINSA-N 0 0 484.640 1.916 50 0 JDAARN CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12 ZINC000012908444 556127509 /nfs/dbraw/zinc/12/75/09/556127509.db2.gz UHKAABXHBWPMSI-UZLBHIALSA-N 0 0 469.585 1.499 50 0 JDAARN O=C(CCN1CCSC1=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 ZINC000024282035 556128437 /nfs/dbraw/zinc/12/84/37/556128437.db2.gz XMAXUHQIZATKQG-UHFFFAOYSA-N 0 0 455.558 1.240 50 0 JDAARN COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)C3=NN(c4ccccc4)C(=O)CC3)CC2)c1 ZINC000024315565 556129164 /nfs/dbraw/zinc/12/91/64/556129164.db2.gz IVRFSKUVKKONQX-UHFFFAOYSA-N 0 0 486.550 1.720 50 0 JDAARN CCOC(=O)C1=C(COC(=O)c2cccc(CN3C(=O)c4ccccc4C3=O)c2)NC(=O)NC1 ZINC000016250347 556131408 /nfs/dbraw/zinc/13/14/08/556131408.db2.gz CHTCOHFNVZKQQG-UHFFFAOYSA-N 0 0 463.446 1.770 50 0 JDAARN NC(=O)c1ccc(S(=O)(=O)N2CCN(CC(=O)N(Cc3ccco3)Cc3ccccc3)CC2)cc1 ZINC000012912252 556131409 /nfs/dbraw/zinc/13/14/09/556131409.db2.gz RYEYWERCVBHKFL-UHFFFAOYSA-N 0 0 496.589 1.914 50 0 JDAARN Cc1cc(NC(=O)CN2CCN(C(=O)c3ccccc3I)CC2)no1 ZINC000012912405 556131586 /nfs/dbraw/zinc/13/15/86/556131586.db2.gz DFSZKMWJUPQYII-UHFFFAOYSA-N 0 0 454.268 1.984 50 0 JDAARN CCn1c(=O)[nH]c(=O)c2c(C(=O)NC3CCN(C(=O)c4ccoc4)CC3)cc(C(C)C)nc21 ZINC000024467741 556131837 /nfs/dbraw/zinc/13/18/37/556131837.db2.gz MSTHZBAMUSMKFV-UHFFFAOYSA-N 0 0 453.499 1.856 50 0 JDAARN O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)Nc1ccccc1C(=O)NCC(F)(F)F ZINC000012914523 556133593 /nfs/dbraw/zinc/13/35/93/556133593.db2.gz GZOMLLRSLVATDQ-UHFFFAOYSA-N 0 0 460.412 1.989 50 0 JDAARN COc1ccc(OC[C@@H](O)Cn2c(N(C)Cc3ccccc3)nc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000012916062 556135264 /nfs/dbraw/zinc/13/52/64/556135264.db2.gz IWSUEXGYERWLME-SFHVURJKSA-N 0 0 479.537 1.519 50 0 JDAARN O=C(c1ccc(N2CCCS2(=O)=O)cc1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000012916738 556135864 /nfs/dbraw/zinc/13/58/64/556135864.db2.gz IWZTXPHTNDPJBL-OAQYLSRUSA-N 0 0 471.535 1.351 50 0 JDAARN O=C(CSCc1nnnn1-c1ccccc1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000012917148 556136482 /nfs/dbraw/zinc/13/64/82/556136482.db2.gz JYWPRSLEXIVYPM-UHFFFAOYSA-N 0 0 476.559 1.568 50 0 JDAARN CCOC(=O)c1sc2ncn(CC(=O)N(Cc3ccco3)[C@H]3CCS(=O)(=O)C3)c(=O)c2c1C ZINC000012918169 556137013 /nfs/dbraw/zinc/13/70/13/556137013.db2.gz OLRWCJUEBYQDRI-AWEZNQCLSA-N 0 0 493.563 1.752 50 0 JDAARN O=C(COc1c(CO)cc(F)cc1CO)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000012918688 556137648 /nfs/dbraw/zinc/13/76/48/556137648.db2.gz JOMIEDSDNDNJBV-UHFFFAOYSA-N 0 0 478.951 1.437 50 0 JDAARN Cc1ccc(S(=O)(=O)NCCC(=O)N(C)CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)cc1 ZINC000012919074 556138227 /nfs/dbraw/zinc/13/82/27/556138227.db2.gz MXOYURIMYQCBQX-KRWDZBQOSA-N 0 0 472.567 1.886 50 0 JDAARN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N3CCN([C@H]4CCS(=O)(=O)C4)CC3)cc2)cc1 ZINC000024602223 556138390 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Cc1ccc(N2N=C(C(=O)N3CCN(S(=O)(=O)c4ccc(F)c(F)c4)CC3)NCC2=O)cc1 ZINC000032671007 556468182 /nfs/dbraw/zinc/46/81/82/556468182.db2.gz OZYROCROBMOZNG-UHFFFAOYSA-N 0 0 477.493 1.056 50 0 JDAARN Cc1ccc(N2C[C@H](C(=O)NCc3ccccc3CS(=O)(=O)N3CCOCC3)CC2=O)cc1 ZINC000032706071 556472297 /nfs/dbraw/zinc/47/22/97/556472297.db2.gz GXETYUAGRAYETB-OAQYLSRUSA-N 0 0 471.579 1.826 50 0 JDAARN C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)NCCC(=O)N3CCCC3)ccc2Cl)C[C@H](C)O1 ZINC000032716761 556473202 /nfs/dbraw/zinc/47/32/02/556473202.db2.gz KQINPRTXTARNMK-GASCZTMLSA-N 0 0 457.980 1.880 50 0 JDAARN C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)NCCC(=O)N3CCCC3)ccc2Cl)C[C@@H](C)O1 ZINC000032716760 556473273 /nfs/dbraw/zinc/47/32/73/556473273.db2.gz KQINPRTXTARNMK-HUUCEWRRSA-N 0 0 457.980 1.880 50 0 JDAARN CC1(C)NC(=O)N(CCC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)C1=O ZINC000032722059 556475532 /nfs/dbraw/zinc/47/55/32/556475532.db2.gz WYELMHPSADJOBB-UHFFFAOYSA-N 0 0 458.540 1.393 50 0 JDAARN CC[S@](=O)c1ccccc1C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000032722054 556475550 /nfs/dbraw/zinc/47/55/50/556475550.db2.gz XURYWFOLVPJEIF-SSEXGKCCSA-N 0 0 464.565 1.732 50 0 JDAARN C[C@@H]1C[C@@H](OC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C(=O)O1 ZINC000032736446 556477631 /nfs/dbraw/zinc/47/76/31/556477631.db2.gz CKRTUCNCEWJTQW-CZUORRHYSA-N 0 0 458.920 1.200 50 0 JDAARN CN1CC(=O)N(CCCC(=O)N2CCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)C1=O ZINC000032739307 556479292 /nfs/dbraw/zinc/47/92/92/556479292.db2.gz NUVZRMXHXVQIKW-UHFFFAOYSA-N 0 0 492.476 1.092 50 0 JDAARN CNS(=O)(=O)c1cc(C(=O)OCC(=O)N(c2ccccc2)[C@@H]2C=CS(=O)(=O)C2)ccc1OC ZINC000032738758 556479295 /nfs/dbraw/zinc/47/92/95/556479295.db2.gz OVDKLUUZCMXQED-QGZVFWFLSA-N 0 0 494.547 1.104 50 0 JDAARN CCOc1ccc([C@H](CNC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)N2CCOCC2)cc1OC ZINC000032739258 556479297 /nfs/dbraw/zinc/47/92/97/556479297.db2.gz AVFYJWIDTNFEOH-IBGZPJMESA-N 0 0 490.582 1.081 50 0 JDAARN CCOC(=O)C1=C(CSc2nnc(N3CCOCC3)n2CC(C)C)NC(=O)N[C@@H]1CC ZINC000032741872 556481819 /nfs/dbraw/zinc/48/18/19/556481819.db2.gz VAIIBPLCGOOKPP-CQSZACIVSA-N 0 0 452.581 1.771 50 0 JDAARN NS(=O)(=O)c1ccc(OCCOC(=O)CCc2nc3ccccc3c(=O)n2C2CC2)cc1 ZINC000032745455 556483409 /nfs/dbraw/zinc/48/34/09/556483409.db2.gz INDPDSZVGJBBRI-UHFFFAOYSA-N 0 0 457.508 1.934 50 0 JDAARN Cc1oc2ncn(C)c(=O)c2c1C(=O)O[C@H](C)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1C ZINC000032747441 556484456 /nfs/dbraw/zinc/48/44/56/556484456.db2.gz PMCDAERSGGHBCZ-CYBMUJFWSA-N 0 0 476.511 1.578 50 0 JDAARN C[C@H](NC(=O)[C@H](CCS(C)(=O)=O)N1C(=O)c2ccccc2C1=O)c1ccc2c(c1)OCCO2 ZINC000032747871 556484823 /nfs/dbraw/zinc/48/48/23/556484823.db2.gz PDVAPZVTOINPST-KSSFIOAISA-N 0 0 472.519 1.735 50 0 JDAARN CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)CN(C)CC(=O)Nc2ccc(OC)cc2)C1=O ZINC000032753390 556486230 /nfs/dbraw/zinc/48/62/30/556486230.db2.gz UOMMRIPYVJRIRM-HSZRJFAPSA-N 0 0 453.499 1.454 50 0 JDAARN C[C@@H](C(=O)N1CCNC1=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2Cl)CC1 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CC(=O)N[C@@H]1[C@H](Oc2ccc3ccccc3c2)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000106384317 569854133 /nfs/dbraw/zinc/85/41/33/569854133.db2.gz CHHFGHQMWZQINE-QWQGWLCTSA-N 0 0 473.478 1.875 50 0 JDAARN COc1ccc(N2C(=O)[C@@H]3SC(N)=C4C(=O)Oc5cc(O)ccc5[C@@H]4[C@H]3C2=O)cc1OC ZINC000107166109 569856206 /nfs/dbraw/zinc/85/62/06/569856206.db2.gz XCAGESCLQNEERK-JFIYKMOQSA-N 0 0 454.460 1.887 50 0 JDAARN COc1cc(OC)cc(N2C(=O)[C@@H]3SC(N)=C4C(=O)Oc5cc(O)ccc5[C@@H]4[C@H]3C2=O)c1 ZINC000107427582 569856417 /nfs/dbraw/zinc/85/64/17/569856417.db2.gz GPLSOXZLBIFSLX-JFIYKMOQSA-N 0 0 454.460 1.887 50 0 JDAARN O=S(=O)([C@H]1CCS(=O)(=O)C1)N1CCCN(c2nc(C(F)(F)F)nc3ccccc32)CC1 ZINC000108181359 569858966 /nfs/dbraw/zinc/85/89/66/569858966.db2.gz WDKJHRRDDGYANZ-ZDUSSCGKSA-N 0 0 478.518 1.678 50 0 JDAARN CC[C@H](C)[C@@H](NC(=O)C1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C)cc2)CC1)C(=O)OC ZINC000108521092 569859545 /nfs/dbraw/zinc/85/95/45/569859545.db2.gz RNIBMFVSUPEMBA-ABSDTBQOSA-N 0 0 481.615 1.604 50 0 JDAARN CCn1nc(C2CCN(C(=O)CCO)CC2)nc1-c1cnc(N)c(-c2nnc(C(C)(C)C)o2)n1 ZINC000145460849 569867796 /nfs/dbraw/zinc/86/77/96/569867796.db2.gz ZGRDYKFVDCFJCZ-UHFFFAOYSA-N 0 0 469.550 1.773 50 0 in-vitro JDAARN Cc1ccc(C(=O)N(CCN2CCOCC2)C[C@H]2CN(C[C@@H](O)COCC(C)C)CCO2)cc1 ZINC000169679711 569869916 /nfs/dbraw/zinc/86/99/16/569869916.db2.gz DWVHLKIHHDLWMW-JWQCQUIFSA-N 0 0 477.646 1.504 50 0 JDAARN Cc1ccc(C(=O)N(CCN2CCOCC2)C[C@H]2CN(C[C@@H](O)COC(C)C)CCO2)cc1 ZINC000169679721 569870001 /nfs/dbraw/zinc/87/00/01/569870001.db2.gz MBYBHZVXMPMGJY-DNQXCXABSA-N 0 0 463.619 1.256 50 0 JDAARN CC(C)OC[C@@H](O)CN1CCO[C@@H](CN(CCN2CCOCC2)C(=O)c2ccc(F)cc2)C1 ZINC000169680439 569870448 /nfs/dbraw/zinc/87/04/48/569870448.db2.gz JWHPRFMCAJRZOB-XZOQPEGZSA-N 0 0 467.582 1.087 50 0 JDAARN CC(C)(C)OC[C@H](O)CN1CCO[C@@H](CN(CCN2CCOCC2)C(=O)c2ccccc2F)C1 ZINC000169680503 569870571 /nfs/dbraw/zinc/87/05/71/569870571.db2.gz VHHYFKQQJNTQSI-NHCUHLMSSA-N 0 0 481.609 1.477 50 0 JDAARN COCCN(C[C@@H]1CN(C[C@@H](O)CN2CCOCC2)CCO1)C(=O)c1cccc(C(F)(F)F)c1 ZINC000169680584 569870582 /nfs/dbraw/zinc/87/05/82/569870582.db2.gz WSUGRNBQNFOWCY-SFTDATJTSA-N 0 0 489.535 1.188 50 0 JDAARN CCOC(=O)C1=C(CN2CCN(C(=O)COC)[C@@H](C)C2)N(CC)C(=O)N[C@@H]1c1ccc(F)cc1 ZINC000169681512 569870715 /nfs/dbraw/zinc/87/07/15/569870715.db2.gz PTJWQHJCSJHHAX-KSFYIVLOSA-N 0 0 476.549 1.908 50 0 JDAARN CC(C)CNC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(CC(=O)N3CCOCC3)C[C@@H]12 ZINC000169681941 569870940 /nfs/dbraw/zinc/87/09/40/569870940.db2.gz PDKQGTSHJBPYET-CTNGQTDRSA-N 0 0 482.547 1.999 50 0 JDAARN Cc1cc2c(cc1S(=O)(=O)N1CCC[C@@H](C(=O)N3CCC4(CC3)OCCO4)C1)O[C@@H](C)C(=O)N2 ZINC000169683612 569871140 /nfs/dbraw/zinc/87/11/40/569871140.db2.gz UARHVJWKIKALPI-DLBZAZTESA-N 0 0 493.582 1.481 50 0 JDAARN CCc1cccc(OC[C@H](O)Cn2c(NCc3cccnc3)nc3c2c(=O)[nH]c(=O)n3C)c1 ZINC000170624442 569873262 /nfs/dbraw/zinc/87/32/62/569873262.db2.gz UCLLHQZCSUDNOB-QGZVFWFLSA-N 0 0 450.499 1.433 50 0 JDAARN 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Cn1c2ccccc2n(CCC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)c1=O ZINC000012767736 195114998 /nfs/dbraw/zinc/11/49/98/195114998.db2.gz KSGFFFBHIKUEGT-UHFFFAOYSA-N 0 0 464.494 1.541 50 0 JDAARN COc1ccc(S(=O)(=O)NCCC(=O)NCC(=O)Nc2ccccc2Br)cc1 ZINC000012767743 195115034 /nfs/dbraw/zinc/11/50/34/195115034.db2.gz FMBSKJUZIIBLPG-UHFFFAOYSA-N 0 0 470.345 1.881 50 0 JDAARN CCOC(=O)C1=C(COC(=O)c2sc3nc4n(c(=O)c3c2C)CCC4)NC(=O)N[C@@H]1CC ZINC000012768856 195116133 /nfs/dbraw/zinc/11/61/33/195116133.db2.gz ANZGZNBIGFQJNU-LLVKDONJSA-N 0 0 460.512 1.778 50 0 JDAARN O=C(CNC(=O)NCc1ccc(F)cc1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000012769617 195116362 /nfs/dbraw/zinc/11/63/62/195116362.db2.gz DDQIWQUEHADLIV-UHFFFAOYSA-N 0 0 452.483 1.297 50 0 JDAARN C[C@@]1(CSc2ccccc2C(=O)N2CCN(CC(=O)N3CCCCC3)CC2)NC(=O)NC1=O ZINC000012769213 195116395 /nfs/dbraw/zinc/11/63/95/195116395.db2.gz BBILKUKODDINDB-QHCPKHFHSA-N 0 0 473.599 1.147 50 0 JDAARN CCS(=O)(=O)N1CCC(NC(=O)[C@H](CCSC)NS(=O)(=O)c2cc(C)ccc2C)CC1 ZINC000012771016 195117611 /nfs/dbraw/zinc/11/76/11/195117611.db2.gz OALLGVVJTOVNLP-SFHVURJKSA-N 0 0 491.701 1.634 50 0 JDAARN CCCc1nnc(SCC(=O)N2CCN(S(=O)(=O)c3ccc(C(C)=O)cc3)CC2)[nH]1 ZINC000012772169 195118523 /nfs/dbraw/zinc/11/85/23/195118523.db2.gz MLYGHARHIIIQAX-UHFFFAOYSA-N 0 0 451.574 1.585 50 0 JDAARN O=C(Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O)Nc1ccc(I)cc1 ZINC000012772203 195118568 /nfs/dbraw/zinc/11/85/68/195118568.db2.gz QZNWBTXJWXKKMK-UHFFFAOYSA-N 0 0 487.319 1.876 50 0 JDAARN O=C(CCc1nc2ccccc2c(=O)[nH]1)Nc1ccc(S(=O)(=O)NCCCN2CCOCC2)cc1 ZINC000012773461 195119325 /nfs/dbraw/zinc/11/93/25/195119325.db2.gz GXRLWXIYVTYCBB-UHFFFAOYSA-N 0 0 499.593 1.495 50 0 JDAARN O=C(COC(=O)c1ccc(F)cc1F)NCCNC(=O)COC(=O)c1ccc(F)cc1F ZINC000012774438 195119662 /nfs/dbraw/zinc/11/96/62/195119662.db2.gz JDKZCIGIGNJEGB-UHFFFAOYSA-N 0 0 456.348 1.489 50 0 JDAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CN(C)[C@@H](C)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000012774570 195119872 /nfs/dbraw/zinc/11/98/72/195119872.db2.gz LGVAVASKPITUSK-GOEBONIOSA-N 0 0 460.560 1.488 50 0 JDAARN CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1n1nc(COc2ccccc2Cl)n(C(C)C)c1=S ZINC000012776690 195121359 /nfs/dbraw/zinc/12/13/59/195121359.db2.gz AWTOOBSHBPSCSV-WSIUPNEHSA-N 0 0 486.978 1.344 50 0 JDAARN Cn1cc(S(=O)(=O)N2CCC(C(=O)NCc3cccc(C(F)(F)F)c3)CC2)cc1C(N)=O ZINC000012777017 195121610 /nfs/dbraw/zinc/12/16/10/195121610.db2.gz RATDAXINYWRSGH-UHFFFAOYSA-N 0 0 472.489 1.860 50 0 JDAARN COCCN(C(=O)CNc1ccc(F)c(C(=O)OC)c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000012777609 195122335 /nfs/dbraw/zinc/12/23/35/195122335.db2.gz NATCFZNLPJVSNS-UHFFFAOYSA-N 0 0 499.499 1.184 50 0 JDAARN O=C(CN[C@H](c1cccs1)c1ccc(F)cc1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000012780903 195124477 /nfs/dbraw/zinc/12/44/77/195124477.db2.gz FRMKVOKKZXEFJW-NQIIRXRSSA-N 0 0 451.589 1.898 50 0 JDAARN C[C@@]1(c2ccc3c(c2)OCCCO3)NC(=O)N(CC(=O)Nc2ccccc2SCC(N)=O)C1=O ZINC000012780788 195124537 /nfs/dbraw/zinc/12/45/37/195124537.db2.gz YSGCQLLTPMVLAX-QHCPKHFHSA-N 0 0 484.534 1.831 50 0 JDAARN O=C(Nc1nc2c(s1)CN(Cc1ccccc1)CC2)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000012782685 195125419 /nfs/dbraw/zinc/12/54/19/195125419.db2.gz QPVVKWLOLPHQHJ-MRXNPFEDSA-N 0 0 487.607 1.805 50 0 JDAARN Cc1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)OCc2cccc(S(=O)(=O)N(C)C)c2)cc1C ZINC000012783282 195126007 /nfs/dbraw/zinc/12/60/07/195126007.db2.gz HTQASQGUHDETRT-NQIIRXRSSA-N 0 0 496.607 1.421 50 0 JDAARN CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)c1cccc(I)c1 ZINC000012783771 195126215 /nfs/dbraw/zinc/12/62/15/195126215.db2.gz QMBVASXRNJQUAD-ZDUSSCGKSA-N 0 0 450.298 1.057 50 0 JDAARN C[C@H](C(=O)O[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)N1C(=O)c2ccccc2C1=O ZINC000012785754 195127656 /nfs/dbraw/zinc/12/76/56/195127656.db2.gz SDEGWBVTWCEKSI-KGLIPLIRSA-N 0 0 473.507 1.492 50 0 JDAARN O=C([C@H](c1ccccc1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1)N1CCOCC1 ZINC000012785672 195127756 /nfs/dbraw/zinc/12/77/56/195127756.db2.gz GYWZKWOIQQINSL-GOTSBHOMSA-N 0 0 451.523 1.571 50 0 JDAARN CC(C)n1nccc1NC(=O)[C@@H](C)OC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000012786000 195128029 /nfs/dbraw/zinc/12/80/29/195128029.db2.gz JAGAHUGNXBOCMZ-NVXWUHKLSA-N 0 0 492.554 1.959 50 0 JDAARN O=C(Nc1cccc(S(=O)(=O)N2CCCCCC2)c1)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000012787886 195129384 /nfs/dbraw/zinc/12/93/84/195129384.db2.gz ZJRQDKOWYFEZGZ-KRWDZBQOSA-N 0 0 496.611 1.355 50 0 JDAARN O=C(CCCNC1=NS(=O)(=O)c2ccccc21)O[C@@H](C(=O)N1CCOCC1)c1ccccc1 ZINC000012789145 195130362 /nfs/dbraw/zinc/13/03/62/195130362.db2.gz VYYDIJCAZDKWRV-OAQYLSRUSA-N 0 0 471.535 1.649 50 0 JDAARN NS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3cc4c(s3)CCCCC4)CC2)cc1 ZINC000012789679 195130734 /nfs/dbraw/zinc/13/07/34/195130734.db2.gz HJZQOYAHJIJXSX-UHFFFAOYSA-N 0 0 483.637 1.811 50 0 JDAARN Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000012791992 195132707 /nfs/dbraw/zinc/13/27/07/195132707.db2.gz DWCCMDJKEQQEEW-HSZRJFAPSA-N 0 0 499.589 1.904 50 0 JDAARN C[C@H](OC(=O)c1cc(=O)[nH]c2ccccc21)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000012792661 195133169 /nfs/dbraw/zinc/13/31/69/195133169.db2.gz LHPBKEWJIRKVRX-HNNXBMFYSA-N 0 0 485.518 1.733 50 0 JDAARN O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)C1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000012793443 195133951 /nfs/dbraw/zinc/13/39/51/195133951.db2.gz VXKZFPHIDQVDEN-SFHVURJKSA-N 0 0 455.602 1.309 50 0 JDAARN Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)CCn2nc(-c3cccs3)oc2=O)CC1 ZINC000012794795 195134974 /nfs/dbraw/zinc/13/49/74/195134974.db2.gz CFUAEJRCPRQSNH-UHFFFAOYSA-N 0 0 467.529 1.093 50 0 JDAARN C[C@H](OC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)C(=O)N1CCCC1 ZINC000012797702 195137183 /nfs/dbraw/zinc/13/71/83/195137183.db2.gz QFKWOLSJHHOTKD-HNNXBMFYSA-N 0 0 452.529 1.413 50 0 JDAARN COc1ccccc1CNC(=O)COC(=O)c1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 ZINC000012800719 195138980 /nfs/dbraw/zinc/13/89/80/195138980.db2.gz SSKHGBWIUKRNBJ-UHFFFAOYSA-N 0 0 489.550 1.021 50 0 JDAARN C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN1C(=O)N[C@@](C)(c2cccc(-n3cnnn3)c2)C1=O ZINC000012802310 195140046 /nfs/dbraw/zinc/14/00/46/195140046.db2.gz XYVZETFQSIFHOZ-FATZIPQQSA-N 0 0 474.481 1.193 50 0 JDAARN O=C(CN1C(=O)C(=O)N(Cc2ccccc2)C1=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 ZINC000012803800 195140839 /nfs/dbraw/zinc/14/08/39/195140839.db2.gz YHLBXJCMXKZUSM-LFIBNONCSA-N 0 0 496.545 1.122 50 0 JDAARN CN(C(=O)c1cccc(NC(=O)Cc2sc(N3CCCCC3)nc2O)c1)[C@H]1CCS(=O)(=O)C1 ZINC000012805803 195141464 /nfs/dbraw/zinc/14/14/64/195141464.db2.gz PLZHBJYZHUFYES-ROUUACIJSA-N 0 0 492.623 1.758 50 0 JDAARN CN(Cc1cnn(-c2ccccc2)c1)C(=O)CCn1c2ccc(S(N)(=O)=O)cc2oc1=O ZINC000012805840 195141498 /nfs/dbraw/zinc/14/14/98/195141498.db2.gz UITRTHVNQKFYBU-UHFFFAOYSA-N 0 0 455.496 1.476 50 0 JDAARN COc1ccc(-c2noc(CN3CCN(C(=O)[C@H](Cc4ccccc4)n4cnnn4)CC3)n2)cc1 ZINC000012807179 195142320 /nfs/dbraw/zinc/14/23/20/195142320.db2.gz CTBNUCUHGWGZNT-NRFANRHFSA-N 0 0 474.525 1.860 50 0 JDAARN 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Cc1nc2ncnn2c(C)c1CCC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000012814689 195146408 /nfs/dbraw/zinc/14/64/08/195146408.db2.gz MZSMCIGIDWBFSI-FQEVSTJZSA-N 0 0 450.499 1.185 50 0 JDAARN C[C@@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)N1C(=O)N[C@](C)(CCc2ccccc2)C1=O ZINC000012815035 195146640 /nfs/dbraw/zinc/14/66/40/195146640.db2.gz ZUEUJXMUHUVJHB-BXKMTCNYSA-N 0 0 452.511 1.896 50 0 JDAARN C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)N1C(=O)N[C@@](C)(CCc2ccccc2)C1=O ZINC000012815019 195146650 /nfs/dbraw/zinc/14/66/50/195146650.db2.gz ZUEUJXMUHUVJHB-OSPHWJPCSA-N 0 0 452.511 1.896 50 0 JDAARN CN1N=C(C(=O)N2CCN(S(=O)(=O)c3cc(C(F)(F)F)ccc3Cl)CC2)CCC1=O ZINC000012815811 195146829 /nfs/dbraw/zinc/14/68/29/195146829.db2.gz HWFWMSNEHGDPJB-UHFFFAOYSA-N 0 0 466.869 1.800 50 0 JDAARN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CN(c1ccccc1C)S(C)(=O)=O ZINC000012819522 195148733 /nfs/dbraw/zinc/14/87/33/195148733.db2.gz HAWVILJDWDGBKR-UHFFFAOYSA-N 0 0 481.596 1.729 50 0 JDAARN 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O=C1[C@@H]2CC=CC[C@H]2C(=O)N1CN1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC000096316699 130059152 /nfs/dbraw/zinc/05/91/52/130059152.db2.gz KNTDHNZLVXNITM-HUUCEWRRSA-N 0 0 457.474 1.920 50 0 JDAARN CC(C)[C@H](NS(=O)(=O)c1ccccc1)c1nc(-c2ccc3c(c2)[nH]c(=O)c(=O)n3C)no1 ZINC000096320588 130064976 /nfs/dbraw/zinc/06/49/76/130064976.db2.gz OYTNKIBGURTLCR-KRWDZBQOSA-N 0 0 455.496 1.952 50 0 JDAARN Cc1nn(C(C)C)c(C)c1S(=O)(=O)N1CCN(C(=O)[C@@H](NC(=O)c2ccco2)C(C)C)CC1 ZINC000096323363 130067838 /nfs/dbraw/zinc/06/78/38/130067838.db2.gz OJRCWAUFFFKSCZ-IBGZPJMESA-N 0 0 479.603 1.961 50 0 JDAARN Cc1nn(C(C)C)c(C)c1S(=O)(=O)N1CCN(C(=O)[C@@H](C)NC(=O)c2ccccc2)CC1 ZINC000096323427 130067896 /nfs/dbraw/zinc/06/78/96/130067896.db2.gz UCUKNUPYVXIVQN-QGZVFWFLSA-N 0 0 461.588 1.732 50 0 JDAARN C[C@@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)sc(=O)n2CCC(=O)N1CCOCC1 ZINC000096324102 130068491 /nfs/dbraw/zinc/06/84/91/130068491.db2.gz QOZSXQYSIJWKTA-OAHLLOKOSA-N 0 0 453.586 1.875 50 0 JDAARN O=C(c1cc(-c2cccnc2)n[nH]1)N1CCC[C@@H](C(=O)N2CCN(C(=O)c3ccco3)CC2)C1 ZINC000096324789 130070732 /nfs/dbraw/zinc/07/07/32/130070732.db2.gz SAUQZPSYACLZIJ-GOSISDBHSA-N 0 0 462.510 1.902 50 0 JDAARN Cc1nnnn1/C(=C/c1ccccc1)C(=O)OCC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000096506682 130112685 /nfs/dbraw/zinc/11/26/85/130112685.db2.gz WGXLDXBBAILRBU-XDHOZWIPSA-N 0 0 470.511 1.412 50 0 JDAARN COc1ccccc1N1C(=O)C[C@H](N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)C1=O ZINC000103292980 130623919 /nfs/dbraw/zinc/62/39/19/130623919.db2.gz BFDVBJBUBBTZSQ-FQEVSTJZSA-N 0 0 457.552 1.950 50 0 JDAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O ZINC000103364971 130628176 /nfs/dbraw/zinc/62/81/76/130628176.db2.gz CTUVMHLHFQUJSO-SQNIBIBYSA-N 0 0 462.572 1.159 50 0 JDAARN O=S(=O)(c1ccc(S(=O)(=O)N2CCCCCC2)cc1)N1CCN(c2ncccn2)CC1 ZINC000009195732 415030592 /nfs/dbraw/zinc/03/05/92/415030592.db2.gz YYEKQUFUXXCWLX-UHFFFAOYSA-N 0 0 465.601 1.552 50 0 JDAARN CCN(CC)C(=O)CO[C@@H]1CN(C(=O)c2cscn2)CC(=O)N(CCc2ccccc2)C1 ZINC000014535707 517635918 /nfs/dbraw/zinc/63/59/18/517635918.db2.gz XUDHQJYNOGFEMU-IBGZPJMESA-N 0 0 458.584 1.924 50 0 JDAARN CC(=O)c1ccc(NC(=O)Cn2nc3ccc(S(=O)(=O)c4ccccc4)nn3c2=O)cc1 ZINC000033261719 518366005 /nfs/dbraw/zinc/36/60/05/518366005.db2.gz SIWSJJQHNVKYKI-UHFFFAOYSA-N 0 0 451.464 1.565 50 0 JDAARN CC(C)(C)OC[C@H](NC(=O)[C@@H](CC(N)=O)NC(=O)OCc1ccccc1)C(=O)OC(C)(C)C ZINC000004574657 518880453 /nfs/dbraw/zinc/88/04/53/518880453.db2.gz WPPQUYBMOAQNEB-SJORKVTESA-N 0 0 465.547 1.798 50 0 JDAARN CC(C)(C)c1cc(NC(=O)C2=NN(c3ccc(F)cc3)[C@H](C(N)=O)C2)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000023073459 519000463 /nfs/dbraw/zinc/00/04/63/519000463.db2.gz HDVXQXQKHKNLIO-WBVHZDCISA-N 0 0 490.561 1.738 50 0 JDAARN CC(C)(C)c1nnc2sc(SCC(=O)N(C3CCCC3)[C@H]3CCS(=O)(=O)C3)nn2c1=O ZINC000008882868 519126836 /nfs/dbraw/zinc/12/68/36/519126836.db2.gz SMGCBMDNDNQVOY-ZDUSSCGKSA-N 0 0 485.657 1.894 50 0 JDAARN CC(=O)N(CCN1CCOCC1)CC(=O)N1CCCN(c2ccc(-c3ccc(F)cc3)nn2)CC1 ZINC000036083185 519462532 /nfs/dbraw/zinc/46/25/32/519462532.db2.gz MOFGMUGJYRGQGK-UHFFFAOYSA-N 0 0 484.576 1.502 50 0 JDAARN CC(=O)N1CCN(C(=O)CCn2c3ccc(S(=O)(=O)N(C)C)cc3nc2C(F)(F)F)CC1 ZINC000064956502 519569762 /nfs/dbraw/zinc/56/97/62/519569762.db2.gz FGLLEIJTZRVPGU-UHFFFAOYSA-N 0 0 475.493 1.386 50 0 JDAARN CC(=O)N1CCN(C(=O)Cn2c3cc(Cl)ccc3c(=O)n(-c3ccccc3F)c2=O)CC1 ZINC000037399249 519573336 /nfs/dbraw/zinc/57/33/36/519573336.db2.gz ZZSWEXBEDYURCS-UHFFFAOYSA-N 0 0 458.877 1.636 50 0 JDAARN CC(=O)N1CCN(C(=O)c2nn(-c3cccc(Cl)c3)c(=O)n(Cc3ccccc3F)c2=O)CC1 ZINC000036087372 519582637 /nfs/dbraw/zinc/58/26/37/519582637.db2.gz NMCWJAPIMIKPDN-UHFFFAOYSA-N 0 0 485.903 1.539 50 0 JDAARN CC(=O)N1CCN(C(=O)c2nn(-c3ccccc3)c(=O)n(Cc3ccccc3Cl)c2=O)CC1 ZINC000036086199 519583509 /nfs/dbraw/zinc/58/35/09/519583509.db2.gz PQAPWBPHKZIPQN-UHFFFAOYSA-N 0 0 467.913 1.400 50 0 JDAARN CC(=O)N1CCN(C(=O)c2nn(-c3ccc(C(C)C)cc3)c(=O)n(Cc3ccccc3)c2=O)CC1 ZINC000036087797 519584066 /nfs/dbraw/zinc/58/40/66/519584066.db2.gz OWEMNQAYTZGQOR-UHFFFAOYSA-N 0 0 475.549 1.870 50 0 JDAARN CC(=O)N1CCN(C(=O)c2nn(-c3ccc(C)c(C)c3)c(=O)n(Cc3ccccc3)c2=O)CC1 ZINC000036086259 519584319 /nfs/dbraw/zinc/58/43/19/519584319.db2.gz NRHNPJBDIPTEMK-UHFFFAOYSA-N 0 0 461.522 1.364 50 0 JDAARN CC(C)CC(=O)Nc1ccc2nc(N3CCN(CC(=O)NCC[NH+](C)C)CC3)cc(C(=O)[O-])c2c1 ZINC000033260713 519606961 /nfs/dbraw/zinc/60/69/61/519606961.db2.gz QFIZAVLBEDZRKJ-UHFFFAOYSA-N 0 0 484.601 1.717 50 0 JDAARN CC(=O)N1CCc2cc(S(=O)(=O)NCCC(=O)N3CCN(c4ccccc4F)CC3)ccc21 ZINC000020233218 519632715 /nfs/dbraw/zinc/63/27/15/519632715.db2.gz OKCQCKOPMPFMME-UHFFFAOYSA-N 0 0 474.558 1.752 50 0 JDAARN CC(C)CCNC(=O)NC(=O)COC(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000008692380 519657103 /nfs/dbraw/zinc/65/71/03/519657103.db2.gz ZTNSCOIKDLGDKM-UHFFFAOYSA-N 0 0 457.524 1.642 50 0 JDAARN CC(C)CCNC(=O)[C@@]1(C)Cn2nc(C(=O)N3CCN(c4ccccc4F)CC3)cc2C(=O)N1C ZINC000021875936 519660009 /nfs/dbraw/zinc/66/00/09/519660009.db2.gz IIYDQUZZYGTANC-RUZDIDTESA-N 0 0 484.576 1.991 50 0 JDAARN CC(=O)NCCNC(=O)c1ccc([C@H]2Nc3cc(C(F)(F)F)ccc3S(=O)(=O)N2)cc1 ZINC000033063386 519667139 /nfs/dbraw/zinc/66/71/39/519667139.db2.gz HTUGXJBGNLBOHB-KRWDZBQOSA-N 0 0 456.446 1.974 50 0 JDAARN CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1n1nc(-c2ccccc2)n(-c2ccccc2)c1=S ZINC000012522379 519691027 /nfs/dbraw/zinc/69/10/27/519691027.db2.gz OPAVXZAAPPZDMP-DRJBRKBZSA-N 0 0 456.524 1.186 50 0 biogenic JDAARN CC(C)CN(C(=O)CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O)[C@H]1CCS(=O)(=O)C1 ZINC000016047229 519704815 /nfs/dbraw/zinc/70/48/15/519704815.db2.gz IWGQCJMJULZCNE-LPHOPBHVSA-N 0 0 460.556 1.303 50 0 JDAARN CC(=O)Nc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)cc1 ZINC000014571833 519709793 /nfs/dbraw/zinc/70/97/93/519709793.db2.gz YMWGSOWZEUTWAT-UHFFFAOYSA-N 0 0 459.524 1.953 50 0 JDAARN 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CLCYGGUXVULAGY-FPOVZHCZSA-N 0 0 477.583 1.849 50 0 JDAARN CSc1ccc(CCNC(=O)[C@@H]2CCCN(S(=O)(=O)N3CCC4(CC3)OCCO4)C2)cc1 ZINC000020511412 525984387 /nfs/dbraw/zinc/98/43/87/525984387.db2.gz NLFGACSHCTUWNR-LJQANCHMSA-N 0 0 483.656 1.863 50 0 JDAARN COc1cccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)N3CCC4(CC3)OCCO4)C2)c1 ZINC000020511294 525999549 /nfs/dbraw/zinc/99/95/49/525999549.db2.gz BVKLNHIVZVMERM-SFHVURJKSA-N 0 0 453.561 1.107 50 0 JDAARN C[C@H](Sc1nnc(N2CCC(C)CC2)n1Cc1ccco1)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000021692244 526012450 /nfs/dbraw/zinc/01/24/50/526012450.db2.gz QOUXDVAEKVQHJI-AWEZNQCLSA-N 0 0 487.586 1.499 50 0 JDAARN C[C@H](C(=O)NC(=O)NCc1ccccc1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000027538978 526013064 /nfs/dbraw/zinc/01/30/64/526013064.db2.gz RHCDPJSNPVLISX-UTKZUKDTSA-N 0 0 452.511 1.385 50 0 JDAARN Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)C2=O)cc1 ZINC000002664543 526050805 /nfs/dbraw/zinc/05/08/05/526050805.db2.gz TYQYTVNVJKFPQZ-QHCPKHFHSA-N 0 0 470.551 1.295 50 0 JDAARN COc1cccc(CO[C@H]2CN(C(=O)[C@@H](C)n3cncn3)CC(=O)N(Cc3ccccn3)C2)c1 ZINC000014741332 526059330 /nfs/dbraw/zinc/05/93/30/526059330.db2.gz JNKAGCMGANGUCL-XMSQKQJNSA-N 0 0 464.526 1.699 50 0 JDAARN COc1cccc(Cn2c(=O)c(C(=O)NC[C@@H]3CCCO3)nn(-c3ccc(C)cc3)c2=O)c1 ZINC000036086736 526106772 /nfs/dbraw/zinc/10/67/72/526106772.db2.gz BQFZFLFMCNZANV-FQEVSTJZSA-N 0 0 450.495 1.668 50 0 JDAARN COc1cccc(Cn2c(=O)c(C(=O)N3CCN(C(C)=O)CC3)nn(-c3ccc(Cl)cc3)c2=O)c1 ZINC000036085800 526106885 /nfs/dbraw/zinc/10/68/85/526106885.db2.gz ICGJTXRYZKLQHX-UHFFFAOYSA-N 0 0 497.939 1.409 50 0 JDAARN COc1cccc(Cn2c(=O)c(C(=O)NC[C@H]3CCCO3)nn(-c3ccccc3F)c2=O)c1 ZINC000036085355 526107020 /nfs/dbraw/zinc/10/70/20/526107020.db2.gz CQNZAIZSFFNKPA-QGZVFWFLSA-N 0 0 454.458 1.499 50 0 JDAARN COc1cccc(Cn2c(=O)c(C(=O)N3CCN(C)CC3)nn(-c3ccc(Cl)cc3)c2=O)c1 ZINC000036085804 526107036 /nfs/dbraw/zinc/10/70/36/526107036.db2.gz QEFXIXVIRVAUJO-UHFFFAOYSA-N 0 0 469.929 1.492 50 0 JDAARN 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COC(=O)c1cc(NC(=S)NCCc2ccc(S(N)(=O)=O)cc2)cc(C(=O)OC)c1 ZINC000002330888 554151369 /nfs/dbraw/zinc/15/13/69/554151369.db2.gz INNHCPZZHGQNCJ-UHFFFAOYSA-N 0 0 451.526 1.436 50 0 JDAARN CCOC(=O)C1=c2s/c(=C\c3ccccc3)c(=O)n2C(N)=C(C(=O)OC)[C@H]1c1ccccc1 ZINC000002351023 554161685 /nfs/dbraw/zinc/16/16/85/554161685.db2.gz SNITWOSHHLQGLM-HGLWPWQMSA-N 0 0 462.527 1.550 50 0 JDAARN COCCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(C)c2N2CCN(C)CC2)SC1=S ZINC000002360736 554165677 /nfs/dbraw/zinc/16/56/77/554165677.db2.gz HPYHNWPBHGSHLU-SFQUDFHCSA-N 0 0 461.613 1.555 50 0 JDAARN CCOCCCNC(=O)c1c(N)n(-c2ccc(S(N)(=O)=O)cc2)c2nc3ccccc3nc21 ZINC000002366177 554167652 /nfs/dbraw/zinc/16/76/52/554167652.db2.gz ACHPSLMZBQZZJK-UHFFFAOYSA-N 0 0 468.539 1.960 50 0 JDAARN CCOC(=O)CN1c2ccccc2[C@]2(C1=O)C(C(=O)OC(C)C)=C(C)OC(N)=C2C(=O)OC ZINC000002366801 554167987 /nfs/dbraw/zinc/16/79/87/554167987.db2.gz ZWRWWQRAXUUVPR-QHCPKHFHSA-N 0 0 458.467 1.433 50 0 JDAARN COC(=O)CN1c2ccccc2[C@]2(C1=O)c1c(=O)oc3ccccc3c1OC(N)=C2C(=O)OC ZINC000002375263 554173099 /nfs/dbraw/zinc/17/30/99/554173099.db2.gz VQKUKEVHPAPYSM-DEOSSOPVSA-N 0 0 462.414 1.334 50 0 JDAARN O=C(NC[C@H]1COc2ccccc2O1)C1CCN(S(=O)(=O)c2cccc3nonc32)CC1 ZINC000002498488 554228885 /nfs/dbraw/zinc/22/88/85/554228885.db2.gz GVRSEIQDVQETHU-HNNXBMFYSA-N 0 0 458.496 1.580 50 0 JDAARN NS(=O)(=O)c1ccc(CCNC(=O)[C@H]2Cc3ccccc3CN2C(=O)c2ccco2)cc1 ZINC000002618783 554243363 /nfs/dbraw/zinc/24/33/63/554243363.db2.gz WSZRVZUHUQAIKB-HXUWFJFHSA-N 0 0 453.520 1.853 50 0 JDAARN CCN(CC)S(=O)(=O)c1cc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)ccc1Cl ZINC000002621157 554246125 /nfs/dbraw/zinc/24/61/25/554246125.db2.gz XFVCVVPWBVGPQY-UHFFFAOYSA-N 0 0 474.004 1.990 50 0 JDAARN CN(C)S(=O)(=O)c1ccc(NC(=O)CN2C(=O)N[C@@]3(CCCc4ccccc43)C2=O)cc1 ZINC000002621307 554246164 /nfs/dbraw/zinc/24/61/64/554246164.db2.gz MHTNPZUPKMIADR-JOCHJYFZSA-N 0 0 456.524 1.659 50 0 JDAARN CN(C(=O)CSc1nc2ccccc2c(=O)[nH]1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000002626309 554249834 /nfs/dbraw/zinc/24/98/34/554249834.db2.gz UUFQRGSPSGDKEF-UHFFFAOYSA-N 0 0 464.507 1.571 50 0 JDAARN CC(C)CNS(=O)(=O)c1cc(C(=O)OCC(=O)N2CCOCC2)c(Cl)cc1Cl ZINC000002636648 554257236 /nfs/dbraw/zinc/25/72/36/554257236.db2.gz QJCQUVIHRNDFCF-UHFFFAOYSA-N 0 0 453.344 1.943 50 0 JDAARN C[C@]1(c2cccc(Br)c2)NC(=O)N(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)C1=O ZINC000002637264 554257627 /nfs/dbraw/zinc/25/76/27/554257627.db2.gz DSBZUVBDWLNKMU-GOSISDBHSA-N 0 0 481.328 1.502 50 0 JDAARN CNS(=O)(=O)c1cccc(C(=O)OCc2cc(=O)n3cc(Br)ccc3n2)c1 ZINC000002637867 554258321 /nfs/dbraw/zinc/25/83/21/554258321.db2.gz VSDOZKUBBYNSHF-UHFFFAOYSA-N 0 0 452.286 1.722 50 0 JDAARN CCN(C(=O)COC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)[C@H]1CCS(=O)(=O)C1 ZINC000002642805 554261232 /nfs/dbraw/zinc/26/12/32/554261232.db2.gz HOTLYXHKNGRNLG-RXVVDRJESA-N 0 0 498.557 1.473 50 0 JDAARN CSc1ccccc1NC(=O)CN(C)CC(=O)N(C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000002650458 554266400 /nfs/dbraw/zinc/26/64/00/554266400.db2.gz MJLKDXJJZANFID-UHFFFAOYSA-N 0 0 496.593 1.422 50 0 JDAARN COc1cccc(-c2nnc(SCC(=O)c3c(N)n(Cc4ccccc4)c(=O)n(C)c3=O)n2C)c1 ZINC000002651153 554267238 /nfs/dbraw/zinc/26/72/38/554267238.db2.gz LXCRTLDJWBMKNX-UHFFFAOYSA-N 0 0 492.561 1.957 50 0 JDAARN C[C@H](OC(=O)c1cc(-c2ccccc2)nn1-c1ccccc1)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000002659185 554273519 /nfs/dbraw/zinc/27/35/19/554273519.db2.gz QZNYBSMOKGNRSD-HNNXBMFYSA-N 0 0 473.489 1.947 50 0 JDAARN NC(=O)c1c(NC(=O)CN2C(=O)N[C@H](Cc3c[nH]c4ccccc34)C2=O)sc2c1CCC2 ZINC000002660251 554274067 /nfs/dbraw/zinc/27/40/67/554274067.db2.gz NCHMGIQEPBEJMT-OAHLLOKOSA-N 0 0 451.508 1.919 50 0 JDAARN O=C(COC(=O)c1ccc2c(c1)OCO2)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000002660236 554274091 /nfs/dbraw/zinc/27/40/91/554274091.db2.gz TYPPVLGVWJSUGV-UHFFFAOYSA-N 0 0 466.899 1.759 50 0 JDAARN CC(C)Cn1c(S[C@H](C)C(=O)NC(N)=O)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000002661259 554274801 /nfs/dbraw/zinc/27/48/01/554274801.db2.gz MZJLWABMBHXDMI-CQSZACIVSA-N 0 0 496.615 1.298 50 0 JDAARN O=C(c1cccc(NC2=N[C@@H]3CS(=O)(=O)C[C@H]3S2)c1)N1CCN(c2ccccn2)CC1 ZINC000002688612 554284444 /nfs/dbraw/zinc/28/44/44/554284444.db2.gz XWYPWHYWDQRTQZ-QZTJIDSGSA-N 0 0 457.581 1.724 50 0 JDAARN CCOC(=O)N1CCN(C(=O)c2ccc(NC3=N[C@@H]4CS(=O)(=O)C[C@@H]4S3)cc2)CC1 ZINC000002688771 554284904 /nfs/dbraw/zinc/28/49/04/554284904.db2.gz YGRPAVOOXYBWFD-CVEARBPZSA-N 0 0 452.558 1.281 50 0 JDAARN Cc1cc(NC(=O)CSc2nc3c(cnn3-c3ccc(S(N)(=O)=O)cc3)c(=O)[nH]2)no1 ZINC000002718479 554304012 /nfs/dbraw/zinc/30/40/12/554304012.db2.gz XKRWENLDJQADFU-UHFFFAOYSA-N 0 0 461.485 1.196 50 0 JDAARN CCN1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)c2C(=O)NC)C1 ZINC000002725190 554311473 /nfs/dbraw/zinc/31/14/73/554311473.db2.gz GGBOTMXVGKYWIJ-UHFFFAOYSA-N 0 0 492.623 1.759 50 0 JDAARN Cc1cc(C(F)(F)F)nn1CCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2cnn(C)c2C)C1 ZINC000002732179 554316060 /nfs/dbraw/zinc/31/60/60/554316060.db2.gz DQRRBVWGTUNPHI-HNNXBMFYSA-N 0 0 476.525 1.859 50 0 JDAARN CCn1ncc(Br)c1CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cnn(C)c2C)C1 ZINC000002732747 554316683 /nfs/dbraw/zinc/31/66/83/554316683.db2.gz UXSBOKIAVDTKSV-CYBMUJFWSA-N 0 0 473.397 1.425 50 0 JDAARN Cc1nn(CCCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3cnn(C)c3C)C2)cc1Br ZINC000002732830 554316966 /nfs/dbraw/zinc/31/69/66/554316966.db2.gz NAQUYEBSKPRGNJ-OAHLLOKOSA-N 0 0 487.424 1.603 50 0 JDAARN CCn1ncc(Br)c1CN(C)C(=O)[C@H]1CCCN(S(=O)(=O)c2cnn(C)c2C)C1 ZINC000002732902 554317004 /nfs/dbraw/zinc/31/70/04/554317004.db2.gz CKXZCSDQZHMXCG-AWEZNQCLSA-N 0 0 487.424 1.767 50 0 JDAARN CCn1cc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cnn(C)c3C)C2)c(C(=O)OC(C)C)n1 ZINC000002732943 554317135 /nfs/dbraw/zinc/31/71/35/554317135.db2.gz NBEBQYJSOAFSOM-OAHLLOKOSA-N 0 0 466.564 1.550 50 0 JDAARN CCn1cc(S(=O)(=O)N2CCN(S(=O)(=O)c3c(C)nn(C(F)F)c3C)CC2)c(C)n1 ZINC000002803350 554354953 /nfs/dbraw/zinc/35/49/53/554354953.db2.gz QESHLZDNPVDMAO-UHFFFAOYSA-N 0 0 466.536 1.115 50 0 JDAARN CCn1cc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)c(C)n1 ZINC000002803721 554354964 /nfs/dbraw/zinc/35/49/64/554354964.db2.gz FWZGEWPSNGWJTG-UHFFFAOYSA-N 0 0 483.435 1.731 50 0 JDAARN CCn1cc(Br)c(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3cn(CC)nc3C)C2)n1 ZINC000002807943 554357892 /nfs/dbraw/zinc/35/78/92/554357892.db2.gz PAFZQCUOWAUPOA-AWEZNQCLSA-N 0 0 487.424 1.907 50 0 JDAARN O=C(c1cc2ncc(Br)cn2n1)N1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000002808882 554358955 /nfs/dbraw/zinc/35/89/55/554358955.db2.gz IDMLUPGRIFZOHR-UHFFFAOYSA-N 0 0 456.347 1.700 50 0 JDAARN COc1ccccc1Oc1ccc(S(=O)(=O)N2CCOCC2)cc1S(=O)(=O)N1CCOCC1 ZINC000002811853 554360578 /nfs/dbraw/zinc/36/05/78/554360578.db2.gz YLSSZLOIDGJULL-UHFFFAOYSA-N 0 0 498.579 1.529 50 0 JDAARN COc1ccc(S(=O)(=O)N2CCN(C(=S)Nc3ccc(S(N)(=O)=O)cc3)CC2)cc1 ZINC000002853178 554380904 /nfs/dbraw/zinc/38/09/04/554380904.db2.gz UZYMAWCMCCVCOW-UHFFFAOYSA-N 0 0 470.598 1.046 50 0 JDAARN Cc1ccc2oc(-c3cc(NC(=O)Cn4cnc5c4n(C)c(=O)n(C)c5=O)ccc3O)nc2c1 ZINC000002858700 554384955 /nfs/dbraw/zinc/38/49/55/554384955.db2.gz 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/nfs/dbraw/zinc/83/42/94/555834294.db2.gz RSPVWSPJBGTZDV-SFHVURJKSA-N 0 0 450.495 1.960 50 0 JDAARN CCS(=O)(=O)N1CCC2(CC1)OC(=O)C(C)=C2C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000020581819 555834881 /nfs/dbraw/zinc/83/48/81/555834881.db2.gz IBRRZGRYFGNAOQ-UHFFFAOYSA-N 0 0 466.556 1.420 50 0 biogenic JDAARN Cc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)N1CCN(c2ccccc2F)CC1 ZINC000011859337 555838563 /nfs/dbraw/zinc/83/85/63/555838563.db2.gz UYUDIGUUPLMFIZ-UHFFFAOYSA-N 0 0 467.544 1.712 50 0 JDAARN COc1cc(=O)n2c(c1C(=O)NCc1nonc1C)CCN(C(=O)Cc1cc(F)cc(F)c1)CC2 ZINC000014999365 555843625 /nfs/dbraw/zinc/84/36/25/555843625.db2.gz FTVVSAOEHZEPMY-UHFFFAOYSA-N 0 0 487.463 1.384 50 0 JDAARN O=CN1CCCN(C(=O)C[C@@]2(c3ccccc3)CC(=O)N(Cc3ccc4c(c3)OCO4)C2=O)CC1 ZINC000011868511 555845198 /nfs/dbraw/zinc/84/51/98/555845198.db2.gz NBTKAMAXPGSBDI-SANMLTNESA-N 0 0 477.517 1.693 50 0 JDAARN O=C(Cn1c(=O)c2cccnc2[nH]c1=S)NCCCN1CCN(c2ccccc2F)CC1 ZINC000020618273 555845549 /nfs/dbraw/zinc/84/55/49/555845549.db2.gz JSALYQVMCWXZAJ-UHFFFAOYSA-N 0 0 456.547 1.548 50 0 JDAARN CC[NH+]1CCN(CCCNC(=O)CCCn2c(=O)c3cc4c(cc3[n-]c2=S)OCO4)CC1 ZINC000020644438 555846112 /nfs/dbraw/zinc/84/61/12/555846112.db2.gz APBFQGIPWZKJET-UHFFFAOYSA-N 0 0 461.588 1.712 50 0 JDAARN COc1cc2ncn(CC(=O)NCC(=O)Nc3nc4ccccc4s3)c(=O)c2cc1OC ZINC000020737170 555847305 /nfs/dbraw/zinc/84/73/05/555847305.db2.gz SPCIJIATWUFTBX-UHFFFAOYSA-N 0 0 453.480 1.778 50 0 JDAARN COC(=O)[C@@H]1CCCN1C(=O)c1c(OC)cc(=O)n2c1CCN(C(=O)c1ccc(C)c(C)c1)CC2 ZINC000011872072 555847438 /nfs/dbraw/zinc/84/74/38/555847438.db2.gz YIHARJHUAWKUNA-FQEVSTJZSA-N 0 0 481.549 1.950 50 0 JDAARN CN1C(=O)C[C@](CC(=O)N2CCN(Cc3cccc(F)c3)C(=O)C2)(c2ccccc2F)C1=O ZINC000015003396 555848572 /nfs/dbraw/zinc/84/85/72/555848572.db2.gz VRSWAWPWUSRJCG-DEOSSOPVSA-N 0 0 455.461 1.852 50 0 JDAARN COc1ccccc1C(=O)N1CCN(C(=O)C[C@@]2(c3ccccc3OC)CC(=O)N(C)C2=O)CC1 ZINC000015003365 555848609 /nfs/dbraw/zinc/84/86/09/555848609.db2.gz ACQONTTWWUUQSL-AREMUKBSSA-N 0 0 479.533 1.705 50 0 JDAARN CCCCN(C(=O)CN1CCN(c2ccc(O)cc2)CC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000021131098 555849916 /nfs/dbraw/zinc/84/99/16/555849916.db2.gz LKUBKCIJXQMWOL-UHFFFAOYSA-N 0 0 472.590 1.436 50 0 JDAARN C[C@H]1CS(=O)(=O)N(c2ccc(S(=O)(=O)Nc3cccc(N4CCCS4(=O)=O)c3)cc2)C1=O ZINC000011904031 555852386 /nfs/dbraw/zinc/85/23/86/555852386.db2.gz XOFVBFBGAOPWRZ-AWEZNQCLSA-N 0 0 499.592 1.340 50 0 JDAARN Cc1ccc([C@H](CNS(=O)(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2)N(C)C)cc1 ZINC000011904122 555852585 /nfs/dbraw/zinc/85/25/85/555852585.db2.gz UVOHWENGIUVNFM-IBGZPJMESA-N 0 0 451.570 1.643 50 0 JDAARN COC(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2)c1 ZINC000011904526 555852601 /nfs/dbraw/zinc/85/26/01/555852601.db2.gz JIDSWDWTRRGABD-UHFFFAOYSA-N 0 0 458.901 1.994 50 0 JDAARN C[C@H]1CS(=O)(=O)N(c2ccc(S(=O)(=O)N3CCN(c4ccc(F)cc4)CC3)cc2)C1=O ZINC000011904943 555852957 /nfs/dbraw/zinc/85/29/57/555852957.db2.gz RCWKXBHGBRJFMW-HNNXBMFYSA-N 0 0 467.544 1.649 50 0 JDAARN COc1ccc(CCNS(=O)(=O)c2c(C)cc(N3C(=O)CCS3(=O)=O)cc2C)cc1OC ZINC000011904766 555852985 /nfs/dbraw/zinc/85/29/85/555852985.db2.gz FRUDJZSUUOVBAB-UHFFFAOYSA-N 0 0 482.580 1.908 50 0 JDAARN COc1ccc(CCNS(=O)(=O)c2ccc(N3C(=O)[C@H](C)CS3(=O)=O)cc2)cc1OC ZINC000011904956 555853081 /nfs/dbraw/zinc/85/30/81/555853081.db2.gz IBIPJNMLYOIFRI-CQSZACIVSA-N 0 0 468.553 1.537 50 0 JDAARN Cc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000011905973 555853434 /nfs/dbraw/zinc/85/34/34/555853434.db2.gz CLFJPOGRWPMHLG-UHFFFAOYSA-N 0 0 467.544 1.712 50 0 JDAARN COc1cccc(CCNS(=O)(=O)c2cc(N3C(=O)CCS3(=O)=O)ccc2OC)c1 ZINC000011906114 555853782 /nfs/dbraw/zinc/85/37/82/555853782.db2.gz ALCAVMJRTISRJV-UHFFFAOYSA-N 0 0 454.526 1.291 50 0 JDAARN CN(C)S(=O)(=O)c1ccc(OCCN2C(=O)N[C@](C)(c3ccc4c(c3)OCCO4)C2=O)cc1 ZINC000021976131 555858648 /nfs/dbraw/zinc/85/86/48/555858648.db2.gz XVSWNKTXJPLORG-JOCHJYFZSA-N 0 0 475.523 1.554 50 0 JDAARN CCN(C(=O)COC(=O)CCOc1ccccc1C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000021989126 555859892 /nfs/dbraw/zinc/85/98/92/555859892.db2.gz LPMYUWZTCXJFFF-UHFFFAOYSA-N 0 0 480.521 1.841 50 0 JDAARN COCCN1C(=O)C[C@](CC(=O)N2CCC[C@H](C(=O)c3nccn3C)C2)(c2ccccc2F)C1=O ZINC000011911914 555859951 /nfs/dbraw/zinc/85/99/51/555859951.db2.gz JZRTXWXWUSIQHT-SSOJOUAXSA-N 0 0 484.528 1.714 50 0 JDAARN CCN(C(=O)COC(=O)COc1ccc2c(c1)CCC2)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000021995513 555860234 /nfs/dbraw/zinc/86/02/34/555860234.db2.gz CDZJUWBFVKNGMF-UHFFFAOYSA-N 0 0 492.532 1.631 50 0 JDAARN COc1ccc(COC(=O)[C@@H]2N3C(=O)[C@H](NC(=O)Cc4ccccc4)[C@@H]3[S@@](=O)C2(C)C)cc1 ZINC000021999807 555860508 /nfs/dbraw/zinc/86/05/08/555860508.db2.gz HSSBYPUKMZQQKS-VJBVDEEZSA-N 0 0 470.547 1.544 50 0 JDAARN O=C(C1=C(N2CCN(Cc3ccccc3)CC2)c2ccccc2S1(=O)=O)N1CCOCC1 ZINC000015019210 555860566 /nfs/dbraw/zinc/86/05/66/555860566.db2.gz BEUQIKNEWSFFEU-UHFFFAOYSA-N 0 0 453.564 1.819 50 0 JDAARN Cn1cc(S(=O)(=O)N2CCN(C(=O)c3cnn(Cc4ccccc4Cl)c3)CC2)cc1C(N)=O ZINC000022023694 555863497 /nfs/dbraw/zinc/86/34/97/555863497.db2.gz COFDGXIIIPRXFC-UHFFFAOYSA-N 0 0 490.973 1.169 50 0 JDAARN Cc1cc(N2CCN([C@H](C)C(=O)NCCc3ccc(S(N)(=O)=O)cc3)CC2)nc(C(C)C)n1 ZINC000015033119 555865405 /nfs/dbraw/zinc/86/54/05/555865405.db2.gz IHQIJLOJJSZVDJ-GOSISDBHSA-N 0 0 474.631 1.425 50 0 JDAARN O=C(NCCc1nnc2ccccn21)c1cccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)c1 ZINC000011915255 555866514 /nfs/dbraw/zinc/86/65/14/555866514.db2.gz VUZTWOHYNREJKD-UHFFFAOYSA-N 0 0 479.518 1.909 50 0 JDAARN CN(C(=O)COC(=O)CSc1ccccc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000022054420 555866948 /nfs/dbraw/zinc/86/69/48/555866948.db2.gz OFNCXIPXFFYFGK-UHFFFAOYSA-N 0 0 454.508 1.465 50 0 JDAARN COc1cc(=O)n2c(c1C(=O)N1CCSCC1)CCN(C(=O)Cc1cc(F)ccc1F)CC2 ZINC000011963641 555870318 /nfs/dbraw/zinc/87/03/18/555870318.db2.gz SMZFAVZIEHPBSH-UHFFFAOYSA-N 0 0 477.533 1.952 50 0 JDAARN CC[C@H](C)NS(=O)(=O)c1sc2c(c1C(=O)OC)CCN(C(=O)c1cc(C)nn1C)C2 ZINC000011966517 555872208 /nfs/dbraw/zinc/87/22/08/555872208.db2.gz DZPTVPPKYJSFNR-NSHDSACASA-N 0 0 454.574 1.852 50 0 JDAARN CC[C@@H](C)NS(=O)(=O)c1sc2c(c1C(=O)OC)CCN(C(=O)c1cc(C)nn1C)C2 ZINC000011966513 555872249 /nfs/dbraw/zinc/87/22/49/555872249.db2.gz DZPTVPPKYJSFNR-LLVKDONJSA-N 0 0 454.574 1.852 50 0 JDAARN Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CN(C)CN1C(=O)NC2(CCC(C)CC2)C1=O ZINC000022096211 555874028 /nfs/dbraw/zinc/87/40/28/555874028.db2.gz GXLXHBZPWMURTB-XZSJUEPFSA-N 0 0 451.593 1.750 50 0 JDAARN COC(=O)c1c(OC(C)C)cc(=O)n2c1CCN(C(=O)C[C@H]1NC(=O)c3ccccc31)CC2 ZINC000011972646 555874567 /nfs/dbraw/zinc/87/45/67/555874567.db2.gz QCZLMONABPFMIP-QGZVFWFLSA-N 0 0 453.495 1.682 50 0 JDAARN COc1cc(=O)n2c(c1C(=O)N(C)[C@H](C)c1ccco1)CCN(C(=O)C1=C(C)OCCO1)CC2 ZINC000011973633 555875036 /nfs/dbraw/zinc/87/50/36/555875036.db2.gz RCVPLLVMIHLBEK-OAHLLOKOSA-N 0 0 471.510 1.946 50 0 JDAARN CCOc1ccc(NC(=O)CCNC2=NS(=O)(=O)c3ccccc32)cc1S(=O)(=O)N(C)C ZINC000015095071 555876376 /nfs/dbraw/zinc/87/63/76/555876376.db2.gz HRKHQAFLEAFGNA-UHFFFAOYSA-N 0 0 480.568 1.403 50 0 JDAARN Cc1noc(C)c1S(=O)(=O)N1CCN(CC(=O)Nc2ccccc2C(=O)NC2CCCC2)CC1 ZINC000015104756 555876794 /nfs/dbraw/zinc/87/67/94/555876794.db2.gz RWMGVKRLRNJGDV-UHFFFAOYSA-N 0 0 489.598 1.909 50 0 JDAARN Cc1ccc2nc(COC(=O)c3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3)cc(=O)n2c1 ZINC000022115363 555879191 /nfs/dbraw/zinc/87/91/91/555879191.db2.gz LZUZJCZIGASNRM-SFHVURJKSA-N 0 0 457.508 1.817 50 0 JDAARN COc1ccc([C@H](CNS(=O)(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2)N(C)C)cc1 ZINC000011997593 555879276 /nfs/dbraw/zinc/87/92/76/555879276.db2.gz GITWVKMQNKJQMA-IBGZPJMESA-N 0 0 467.569 1.343 50 0 JDAARN CN(C)[C@H](CNS(=O)(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1)c1ccc(Cl)cc1 ZINC000011997609 555879457 /nfs/dbraw/zinc/87/94/57/555879457.db2.gz MRUAFNAGSBCBAO-GOSISDBHSA-N 0 0 471.988 1.988 50 0 JDAARN COc1ccc([C@@H](CNS(=O)(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2)N(C)C)cc1OC ZINC000011997612 555879771 /nfs/dbraw/zinc/87/97/71/555879771.db2.gz JVPVBLMAVWRWEF-GOSISDBHSA-N 0 0 497.595 1.352 50 0 JDAARN COc1ccccc1CCNS(=O)(=O)c1cc(N2C(=O)CCS2(=O)=O)ccc1OC ZINC000011997833 555880004 /nfs/dbraw/zinc/88/00/04/555880004.db2.gz XCSWOQVFJMKZPK-UHFFFAOYSA-N 0 0 454.526 1.291 50 0 JDAARN COc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)NC[C@H](c1ccccc1)N(C)C ZINC000011997900 555880096 /nfs/dbraw/zinc/88/00/96/555880096.db2.gz SZWYWWIXSAIBTA-QGZVFWFLSA-N 0 0 467.569 1.343 50 0 JDAARN CN(C)[C@@H](CNS(=O)(=O)c1ccc(N2C(=O)C(C)(C)CS2(=O)=O)cc1)c1ccccc1 ZINC000011997961 555880323 /nfs/dbraw/zinc/88/03/23/555880323.db2.gz XCJCRNZBFJCFHH-IBGZPJMESA-N 0 0 465.597 1.970 50 0 JDAARN COc1ccc([C@H](CNS(=O)(=O)c2cc(N3C(=O)CCS3(=O)=O)ccc2OC)N(C)C)cc1 ZINC000011997947 555880446 /nfs/dbraw/zinc/88/04/46/555880446.db2.gz WWPGDNVNSACDJP-SFHVURJKSA-N 0 0 497.595 1.352 50 0 JDAARN COc1ccc([C@@H](CNS(=O)(=O)c2ccc(N3C(=O)C(C)(C)CS3(=O)=O)cc2)N(C)C)cc1 ZINC000011997993 555880488 /nfs/dbraw/zinc/88/04/88/555880488.db2.gz XSOJWZURADIOIY-HXUWFJFHSA-N 0 0 495.623 1.979 50 0 JDAARN Cn1cc(S(=O)(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc1C(N)=O ZINC000022186924 555882852 /nfs/dbraw/zinc/88/28/52/555882852.db2.gz QGGJBTCRGTVIQX-UHFFFAOYSA-N 0 0 451.858 1.702 50 0 JDAARN O=C(c1ccco1)N1CCN(C(=O)c2cc(N3C(=O)CCS3(=O)=O)ccc2Cl)CC1 ZINC000012003507 555883159 /nfs/dbraw/zinc/88/31/59/555883159.db2.gz VGYCHZBRQGFJJR-UHFFFAOYSA-N 0 0 451.888 1.598 50 0 JDAARN Cc1cc(N2CCCCS2(=O)=O)cc(C)c1S(=O)(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000012004372 555883448 /nfs/dbraw/zinc/88/34/48/555883448.db2.gz MINWPEACXIKRLY-OAHLLOKOSA-N 0 0 450.604 1.041 50 0 JDAARN CCN(CC)S(=O)(=O)c1ccc2nn(CN3CCN(CC(=O)NCC(C)C)CC3)c(=S)n2c1 ZINC000022194221 555883787 /nfs/dbraw/zinc/88/37/87/555883787.db2.gz IBHQMXXMKREGDJ-UHFFFAOYSA-N 0 0 497.691 1.243 50 0 JDAARN O=C(CSCC(=O)Nc1ccc(F)cc1)NCc1ccccc1S(=O)(=O)N1CCOCC1 ZINC000022196986 555884177 /nfs/dbraw/zinc/88/41/77/555884177.db2.gz WWRBCPRDVLGLJY-UHFFFAOYSA-N 0 0 481.571 1.835 50 0 JDAARN COC(=O)c1ccccc1NC(=O)c1cc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)ccc1F ZINC000012031430 555887135 /nfs/dbraw/zinc/88/71/35/555887135.db2.gz SRZKEJYWPHYRLA-ZDUSSCGKSA-N 0 0 455.485 1.825 50 0 JDAARN Nc1nc(SCC(=O)N2CCOCC2)[nH]c(=O)c1NC(=O)c1ccc(Br)cc1 ZINC000012033155 555887623 /nfs/dbraw/zinc/88/76/23/555887623.db2.gz CAZKSCVIAJUUMK-UHFFFAOYSA-N 0 0 468.333 1.318 50 0 JDAARN COc1ccc(OCCN2CCN(C(=O)CCc3c(C)nc(N4CCOCC4)[nH]c3=O)CC2)cc1 ZINC000022231440 555890002 /nfs/dbraw/zinc/89/00/02/555890002.db2.gz LGLFZJCUGXBIHY-UHFFFAOYSA-N 0 0 485.585 1.079 50 0 JDAARN COC(=O)c1nnn([C@H]2C[C@@H](C(=O)NCc3ccco3)N(Cc3ccc(C)cc3)C2)c1C(=O)OC ZINC000012037075 555890100 /nfs/dbraw/zinc/89/01/00/555890100.db2.gz KKKKHYOZUISCED-HKUYNNGSSA-N 0 0 481.509 1.885 50 0 JDAARN COc1cccc(CNC(=O)c2c(OC)cc(=O)n3c2CCN(C(=O)CCSC)CC3)c1 ZINC000012039618 555892308 /nfs/dbraw/zinc/89/23/08/555892308.db2.gz GEHFCUXCDXYKDI-UHFFFAOYSA-N 0 0 459.568 1.933 50 0 JDAARN CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)c1 ZINC000015316271 555896662 /nfs/dbraw/zinc/89/66/62/555896662.db2.gz FODRFYIRRSXOFL-SIKLNZKXSA-N 0 0 496.655 1.946 50 0 JDAARN CCCCn1c(N)c(N(CCOC)C(=O)c2ccc(OC[C@H]3CCCO3)cc2)c(=O)[nH]c1=O ZINC000015323137 555898718 /nfs/dbraw/zinc/89/87/18/555898718.db2.gz KATCZTPPVCEDMN-GOSISDBHSA-N 0 0 460.531 1.770 50 0 JDAARN COc1ccc(C(=O)N2CCN(C(=O)C[C@@]3(c4cccc(OC)c4)CC(=O)N(C)C3=O)CC2)cc1 ZINC000012056939 555899095 /nfs/dbraw/zinc/89/90/95/555899095.db2.gz OWKDMJOPXUNXLK-AREMUKBSSA-N 0 0 479.533 1.705 50 0 JDAARN Cc1noc(C)c1S(=O)(=O)N1CCCN(CC(=O)N2CCN(C(=O)c3cccs3)CC2)CC1 ZINC000022249505 555899835 /nfs/dbraw/zinc/89/98/35/555899835.db2.gz IGNXGZCTHNLFHE-UHFFFAOYSA-N 0 0 495.627 1.034 50 0 JDAARN CN(C)S(=O)(=O)c1ccc(C(=O)NCCn2ncc3c2ncn(Cc2ccc(F)cc2)c3=O)cc1 ZINC000012071768 555901531 /nfs/dbraw/zinc/90/15/31/555901531.db2.gz IDAGIOOVBRDZBD-UHFFFAOYSA-N 0 0 498.540 1.461 50 0 JDAARN NC(=O)N1CCC(C(=O)N2CCN(S(=O)(=O)c3ccc(Br)cc3Cl)CC2)CC1 ZINC000015386156 555901941 /nfs/dbraw/zinc/90/19/41/555901941.db2.gz QHLISXIOENSZFA-UHFFFAOYSA-N 0 0 493.811 1.726 50 0 JDAARN O=C(NCc1ccc(F)cc1)C(=O)NC[C@@H]1OCCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000012080692 555903883 /nfs/dbraw/zinc/90/38/83/555903883.db2.gz BSTXRMXBAWPGNV-KRWDZBQOSA-N 0 0 455.895 1.259 50 0 JDAARN O=C(NCc1ccccc1)C(=O)NC[C@@H]1OCCN1S(=O)(=O)c1ccc(Br)cc1 ZINC000012080799 555904113 /nfs/dbraw/zinc/90/41/13/555904113.db2.gz ZFYUZIREZDQMBF-KRWDZBQOSA-N 0 0 482.356 1.229 50 0 JDAARN COc1c2c(cc3c1[C@@H](c1nnnn1-c1ccc(C(=O)NCCCO)cc1)N(C)CC3)OCO2 ZINC000015414759 555906165 /nfs/dbraw/zinc/90/61/65/555906165.db2.gz LYHCKPLDIOWJFL-IBGZPJMESA-N 0 0 466.498 1.089 50 0 biogenic JDAARN COc1c2c(cc3c1[C@@H](c1nnnn1-c1ccc(C(=O)N4CCN(C)CC4)cc1)N(C)CC3)OCO2 ZINC000015414748 555906170 /nfs/dbraw/zinc/90/61/70/555906170.db2.gz YCNZDDKPUKKUQJ-NRFANRHFSA-N 0 0 491.552 1.365 50 0 biogenic JDAARN COCCCNC(=O)c1ccc(-n2nnnc2[C@@H]2c3c(cc4c(c3OC)OCO4)CCN2C)cc1 ZINC000015414818 555906616 /nfs/dbraw/zinc/90/66/16/555906616.db2.gz JLCVZEFCXNBQOM-FQEVSTJZSA-N 0 0 480.525 1.743 50 0 biogenic JDAARN COc1c2c(cc3c1[C@@H](c1nnnn1-c1ccccc1C(=O)N1CCOCC1)N(C)CC3)OCO2 ZINC000015415054 555906940 /nfs/dbraw/zinc/90/69/40/555906940.db2.gz CRQPVNKLISKOGS-FQEVSTJZSA-N 0 0 478.509 1.449 50 0 biogenic JDAARN COc1cc(=O)n2c(c1C(=O)NCc1nonc1C)CCN(C(=O)Cc1cccc(F)c1F)CC2 ZINC000012130256 555911716 /nfs/dbraw/zinc/91/17/16/555911716.db2.gz OATGVCINFDUZSH-UHFFFAOYSA-N 0 0 487.463 1.384 50 0 JDAARN COc1ccccc1CNc1nc(CN(CCO)[C@@H]2CS(=O)(=O)C[C@@H]2O)nc2c(C)cccc12 ZINC000012131664 555911974 /nfs/dbraw/zinc/91/19/74/555911974.db2.gz NLKCZGQMEALICP-UXHICEINSA-N 0 0 486.594 1.511 50 0 JDAARN CCOC(=O)[C@@H]1CCCN(C(=O)CCn2c3ccc(S(=O)(=O)N4CCCC4)cc3oc2=O)C1 ZINC000015513378 555912360 /nfs/dbraw/zinc/91/23/60/555912360.db2.gz ODGQGJAHIQKCKE-MRXNPFEDSA-N 0 0 479.555 1.571 50 0 JDAARN O=C(C[C@@H]1C(=O)NCCN1C(=S)NC(=O)c1ccccc1Br)OC[C@@H]1CCCO1 ZINC000012136993 555914219 /nfs/dbraw/zinc/91/42/19/555914219.db2.gz BRPRZYLVGDYYOD-SWLSCSKDSA-N 0 0 484.372 1.377 50 0 JDAARN COC(=O)c1sccc1S(=O)(=O)N(C)CC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000015545425 555914484 /nfs/dbraw/zinc/91/44/84/555914484.db2.gz VPPAMOAVMDEQKA-UHFFFAOYSA-N 0 0 453.542 1.631 50 0 JDAARN CCCn1c(N)c(N2CCOCC2)c(=O)n(CC(=O)Nc2cc(Cl)ccc2OC)c1=O ZINC000015554106 555915443 /nfs/dbraw/zinc/91/54/43/555915443.db2.gz QRSOMROXMKDRPU-UHFFFAOYSA-N 0 0 451.911 1.140 50 0 JDAARN CCCn1c(N)c(N2CCOCC2)c(=O)n(CC(=O)Nc2ccc(C)cc2Br)c1=O ZINC000015554088 555915496 /nfs/dbraw/zinc/91/54/96/555915496.db2.gz SMGGBWLETSKTMW-UHFFFAOYSA-N 0 0 480.363 1.548 50 0 JDAARN Cc1noc(C)c1S(=O)(=O)N1CCC[C@H]1C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000015580598 555916646 /nfs/dbraw/zinc/91/66/46/555916646.db2.gz QLMKVAABJPZGOX-INIZCTEOSA-N 0 0 456.546 1.334 50 0 JDAARN COc1ccc(S(=O)(=O)N2CCCO[C@@H]2CNC(=O)C(=O)NCc2ccc(Cl)cc2)cc1 ZINC000012140207 555917251 /nfs/dbraw/zinc/91/72/51/555917251.db2.gz WJYZQMDYWAYWKQ-LJQANCHMSA-N 0 0 481.958 1.518 50 0 JDAARN COc1cc(CC(=O)N2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cn3)CC2)ccc1C ZINC000022282910 555917286 /nfs/dbraw/zinc/91/72/86/555917286.db2.gz WKUJGQQBTRXMMH-UHFFFAOYSA-N 0 0 474.583 1.311 50 0 JDAARN COc1ccccc1CNC(=O)C(=O)NC[C@@H]1OCCCN1S(=O)(=O)c1ccc(F)cc1 ZINC000012140239 555917301 /nfs/dbraw/zinc/91/73/01/555917301.db2.gz UVNZBVQLUMPYHA-IBGZPJMESA-N 0 0 465.503 1.004 50 0 JDAARN Cc1ccc(CNC(=O)C(=O)NC[C@@H]2OCCCN2S(=O)(=O)c2cc(F)ccc2F)cc1 ZINC000012140247 555917568 /nfs/dbraw/zinc/91/75/68/555917568.db2.gz WSQSYERUAASGON-IBGZPJMESA-N 0 0 467.494 1.443 50 0 JDAARN O=C(NCc1ccc(F)cc1)C(=O)NC[C@H]1OCCCN1S(=O)(=O)c1cc(F)ccc1F ZINC000012140254 555917575 /nfs/dbraw/zinc/91/75/75/555917575.db2.gz LGIAZKMBWCMTNF-GOSISDBHSA-N 0 0 471.457 1.274 50 0 JDAARN COc1ccc(CNC(=O)C(=O)NC[C@@H]2OCCCN2S(=O)(=O)c2cc(F)ccc2F)cc1 ZINC000012140257 555917582 /nfs/dbraw/zinc/91/75/82/555917582.db2.gz IPIPQNKKVLCTET-IBGZPJMESA-N 0 0 483.493 1.143 50 0 JDAARN O=C(NCc1ccc(Cl)cc1)C(=O)NC[C@H]1OCCCN1S(=O)(=O)c1cccs1 ZINC000012140272 555917611 /nfs/dbraw/zinc/91/76/11/555917611.db2.gz PXNUJROEAYVCHS-OAHLLOKOSA-N 0 0 457.961 1.571 50 0 JDAARN COc1ccccc1CNC(=O)C(=O)NC[C@@H]1OCCCN1S(=O)(=O)c1cc(C)ccc1C ZINC000012140512 555917818 /nfs/dbraw/zinc/91/78/18/555917818.db2.gz ICKJLKUUYPYUIX-NRFANRHFSA-N 0 0 475.567 1.482 50 0 JDAARN CCOC(=O)[C@H]1CCCN(Cc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2CC)C1 ZINC000022287077 555917842 /nfs/dbraw/zinc/91/78/42/555917842.db2.gz RQXVJJUITPRIBA-KRWDZBQOSA-N 0 0 464.588 1.852 50 0 JDAARN COC(=O)c1sccc1NC(=O)Cc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 ZINC000015606552 555918372 /nfs/dbraw/zinc/91/83/72/555918372.db2.gz LSGVPFKTGSHABP-UHFFFAOYSA-N 0 0 454.526 1.745 50 0 JDAARN COc1ccc(CCNC(=O)CN2C(=O)N[C@@](C)(c3ccc4c(c3)OCCCO4)C2=O)cc1 ZINC000015613909 555919181 /nfs/dbraw/zinc/91/91/81/555919181.db2.gz CVMLSXVIZJXRPM-DEOSSOPVSA-N 0 0 453.495 1.982 50 0 JDAARN COc1ccc(CCNC(=O)CN2C(=O)N[C@](C)(c3ccc4c(c3)OCCCO4)C2=O)cc1 ZINC000015613913 555919201 /nfs/dbraw/zinc/91/92/01/555919201.db2.gz CVMLSXVIZJXRPM-XMMPIXPASA-N 0 0 453.495 1.982 50 0 JDAARN Cc1onc(-c2ccccc2)c1-c1nnc(CN2CCN(CC(=O)N3CCOCC3)CC2)o1 ZINC000022309558 555919681 /nfs/dbraw/zinc/91/96/81/555919681.db2.gz NFHHWPOUOAEOKT-UHFFFAOYSA-N 0 0 452.515 1.676 50 0 JDAARN COc1ccc(-c2noc(CN3CCN(C(=O)c4cnc5n(c4=O)CCS5)CC3)n2)cc1 ZINC000022355977 555924104 /nfs/dbraw/zinc/92/41/04/555924104.db2.gz LSWRXHRLEMXUON-UHFFFAOYSA-N 0 0 454.512 1.366 50 0 JDAARN CCN(C(=O)CSc1nc(CN2CCOCC2)nc2ccccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000022358818 555925728 /nfs/dbraw/zinc/92/57/28/555925728.db2.gz RTSOMRLREMOWLY-MRXNPFEDSA-N 0 0 464.613 1.590 50 0 JDAARN COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)NCc2ccc3c(c2)OCO3)CC1 ZINC000022369061 555926554 /nfs/dbraw/zinc/92/65/54/555926554.db2.gz CJOZOBVFJZKUNH-UHFFFAOYSA-N 0 0 460.508 1.919 50 0 JDAARN CN(C[C@H]1COCCO1)C(=O)C[C@]1(c2cccc(F)c2)CC(=O)N(Cc2cccnc2)C1=O ZINC000012152952 555927348 /nfs/dbraw/zinc/92/73/48/555927348.db2.gz ACNAWVLMVWPFJY-GBXCKJPGSA-N 0 0 455.486 1.682 50 0 JDAARN COc1ccc(C(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)cc1S(=O)(=O)NC(C)C ZINC000022384221 555928186 /nfs/dbraw/zinc/92/81/86/555928186.db2.gz WANCQEQSNSNWFG-UHFFFAOYSA-N 0 0 490.582 1.905 50 0 JDAARN COc1ccc(C)cc1-n1c(C)cn2c1nc1c2c(=O)n(CCN2CCOCC2)c(=O)n1C ZINC000022386135 555928475 /nfs/dbraw/zinc/92/84/75/555928475.db2.gz KNMRACBXVAXYIB-UHFFFAOYSA-N 0 0 452.515 1.096 50 0 JDAARN COc1cc(=O)n2c(c1C(=O)N1CCSCC1)CCN(C(=O)Cc1ccccc1C)CC2 ZINC000012157240 555929006 /nfs/dbraw/zinc/92/90/06/555929006.db2.gz XMROMSQRYQSBIU-UHFFFAOYSA-N 0 0 455.580 1.982 50 0 JDAARN C[C@H](Sc1nc(CN2CCOCC2)nc2ccccc21)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000022405917 555929223 /nfs/dbraw/zinc/92/92/23/555929223.db2.gz XEWZLJUNHALKTO-HOTGVXAUSA-N 0 0 464.613 1.588 50 0 JDAARN Cc1cn2c(nc3c2c(=O)n(Cc2ccccc2Cl)c(=O)n3C)n1CCN1CCOCC1 ZINC000022406109 555929229 /nfs/dbraw/zinc/92/92/29/555929229.db2.gz XKCMNCRCLCOGJP-UHFFFAOYSA-N 0 0 456.934 1.492 50 0 JDAARN Cc1c(C)n2c(nc3c2c(=O)n(C/C=C/c2ccccc2)c(=O)n3C)n1CCN1CCOCC1 ZINC000022406699 555929565 /nfs/dbraw/zinc/92/95/65/555929565.db2.gz OEBURFCGUUYEHB-JXMROGBWSA-N 0 0 462.554 1.812 50 0 JDAARN Cc1cn2c(nc3c2c(=O)n(CCN2CCOCC2)c(=O)n3C)n1-c1ccc(C)c(Cl)c1 ZINC000022406476 555929605 /nfs/dbraw/zinc/92/96/05/555929605.db2.gz MLDCGOAFABJKMJ-UHFFFAOYSA-N 0 0 456.934 1.741 50 0 JDAARN Cc1c(C)n(-c2ccccc2Cl)c2nc3c(c(=O)n(CCN4CCOCC4)c(=O)n3C)n12 ZINC000022409185 555929994 /nfs/dbraw/zinc/92/99/94/555929994.db2.gz MZAAEACWADLCBL-UHFFFAOYSA-N 0 0 456.934 1.741 50 0 JDAARN O=C(COc1ccc(Cl)cc1Cl)NCCCS(=O)(=O)N1CCN(c2ncccn2)CC1 ZINC000012164453 555932279 /nfs/dbraw/zinc/93/22/79/555932279.db2.gz CNPMXUAIFZCUHL-UHFFFAOYSA-N 0 0 488.397 1.821 50 0 JDAARN COC(=O)c1ccccc1NC(=O)C1=CC(c2cc(OC)ccc2OC)=NS(=O)(=O)N1C ZINC000015673497 555932607 /nfs/dbraw/zinc/93/26/07/555932607.db2.gz IDDWAJGEPVIQCZ-UHFFFAOYSA-N 0 0 459.480 1.992 50 0 JDAARN CN1C(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)=CC(c2ccco2)=NS1(=O)=O ZINC000015673651 555932866 /nfs/dbraw/zinc/93/28/66/555932866.db2.gz RNHGTLGPVNOVNA-UHFFFAOYSA-N 0 0 458.496 1.216 50 0 JDAARN Cn1cc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)N1CCN(c2ncccn2)CC1 ZINC000015674860 555933308 /nfs/dbraw/zinc/93/33/08/555933308.db2.gz NTGZPCCYGROKDZ-UHFFFAOYSA-N 0 0 452.540 1.529 50 0 JDAARN COc1cc(C[C@@]2(CCC(=O)N3CCC[C@@H](C(=O)N4CCOCC4)C3)CCC(=O)N2)ccc1F ZINC000012183685 555936087 /nfs/dbraw/zinc/93/60/87/555936087.db2.gz OLJRCVISQJPJEC-CLOONOSVSA-N 0 0 475.561 1.903 50 0 JDAARN CC[C@@H]1C(=O)NCCN1C(=O)C[C@]1(c2cccc(F)c2)CC(=O)N(Cc2cccnc2)C1=O ZINC000012191235 555938438 /nfs/dbraw/zinc/93/84/38/555938438.db2.gz OWOZNOOTZRHDSU-NTKDMRAZSA-N 0 0 452.486 1.545 50 0 JDAARN CCOc1ccc(CCNC(=O)[C@@H]2CCCN(S(=O)(=O)N3CCC4(CC3)OCCO4)C2)cc1 ZINC000015677789 555941876 /nfs/dbraw/zinc/94/18/76/555941876.db2.gz SNBYELDGWWTVEQ-HXUWFJFHSA-N 0 0 481.615 1.540 50 0 JDAARN CCOC(=O)CCC(=O)N1CCN(c2ncccc2C(=O)NCc2ccc3c(c2)OCO3)CC1 ZINC000022666746 555942152 /nfs/dbraw/zinc/94/21/52/555942152.db2.gz PLFMVBJKNDLYAX-UHFFFAOYSA-N 0 0 468.510 1.732 50 0 JDAARN COC(=O)[C@@H]1CCCN1C(=O)c1c(OC)cc(=O)n2c1CCN(C(=O)CCC1CCCC1)CC2 ZINC000012212418 555943645 /nfs/dbraw/zinc/94/36/45/555943645.db2.gz IVDNRIFGHUWEQV-IBGZPJMESA-N 0 0 473.570 1.990 50 0 JDAARN COc1ccc(-c2noc(N3CCC[C@H](C(=O)NCCc4ccc(S(N)(=O)=O)cc4)C3)n2)cc1 ZINC000015679006 555944442 /nfs/dbraw/zinc/94/44/42/555944442.db2.gz SJFDIZUFYLFNMC-SFHVURJKSA-N 0 0 485.566 1.968 50 0 JDAARN O=C(CCNS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1)N1CCN(c2ccccc2F)CC1 ZINC000015678671 555944554 /nfs/dbraw/zinc/94/45/54/555944554.db2.gz HZVYEWILYBZFRP-UHFFFAOYSA-N 0 0 458.515 1.684 50 0 JDAARN COc1ccc(F)c(C[C@]2(CCC(=O)N3CCN(Cc4nccn4C)CC3)CCC(=O)N2)c1 ZINC000012240683 555945308 /nfs/dbraw/zinc/94/53/08/555945308.db2.gz FOYPGCVZOLWAIV-XMMPIXPASA-N 0 0 457.550 1.884 50 0 JDAARN COc1ccc(N2C[C@H](C(=O)N3CCC(C(=O)N4CCC(C(N)=O)CC4)CC3)CC2=O)cc1 ZINC000012321455 555951668 /nfs/dbraw/zinc/95/16/68/555951668.db2.gz HDVFXXBFMSHOHZ-GOSISDBHSA-N 0 0 456.543 1.011 50 0 JDAARN 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O=C(N[C@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2CCc1ccccc1)c1cccs1 ZINC000012376355 555963839 /nfs/dbraw/zinc/96/38/39/555963839.db2.gz TZFDEDXULOHFLW-IBGZPJMESA-N 0 0 464.425 1.981 50 0 JDAARN CN(C)S(=O)(=O)c1ccc(NCCO)c(C(=O)OCc2noc(-c3ccsc3)n2)c1 ZINC000022894166 555964119 /nfs/dbraw/zinc/96/41/19/555964119.db2.gz CIMBJADDTOKEIG-UHFFFAOYSA-N 0 0 452.514 1.810 50 0 JDAARN CCOC(=O)c1ccccc1NC(=O)CSc1nc(=O)n(CCN2CCOCC2)c2c1CCC2 ZINC000022908871 555965545 /nfs/dbraw/zinc/96/55/45/555965545.db2.gz IRQRMRNUKCLRSC-UHFFFAOYSA-N 0 0 486.594 1.972 50 0 JDAARN CCN1CCN(C(=O)[C@@H](C)N2CCN(Cc3nc4sc5c(c4c(=O)[nH]3)CCCC5)CC2)CC1 ZINC000022912223 555967532 /nfs/dbraw/zinc/96/75/32/555967532.db2.gz BEXKUUZZQLJWNT-QGZVFWFLSA-N 0 0 472.659 1.534 50 0 JDAARN NS(=O)(=O)c1cc(Cl)c(NC(=O)CN2CCN(CC(=O)N3CCCCC3)CC2)c(Cl)c1 ZINC000022914399 555969530 /nfs/dbraw/zinc/96/95/30/555969530.db2.gz HNGSZJIIJONOSM-UHFFFAOYSA-N 0 0 492.429 1.209 50 0 JDAARN O=C([C@H](c1ccccc1)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1)N1CCOCC1 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COc1cc2ncn(CC(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)c(=O)c2cc1OC ZINC000012584823 556082236 /nfs/dbraw/zinc/08/22/36/556082236.db2.gz FONIUBUFNMHLLW-UHFFFAOYSA-N 0 0 472.523 1.837 50 0 JDAARN COc1cccc(C(N)=O)c1OCC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 ZINC000023659170 556082259 /nfs/dbraw/zinc/08/22/59/556082259.db2.gz BTMYXMXAUBOZQK-UHFFFAOYSA-N 0 0 463.512 1.141 50 0 JDAARN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12 ZINC000023681562 556083355 /nfs/dbraw/zinc/08/33/55/556083355.db2.gz MMZJJBMAHDUQAE-HNAYVOBHSA-N 0 0 455.558 1.109 50 0 JDAARN CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CN2CCC(C(=O)N3CCCCCC3)CC2)C1=O ZINC000023701590 556084217 /nfs/dbraw/zinc/08/42/17/556084217.db2.gz SNZPQELDGKLWFT-VWLOTQADSA-N 0 0 469.586 1.990 50 0 JDAARN O=C(CN1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)N(C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000023705079 556084643 /nfs/dbraw/zinc/08/46/43/556084643.db2.gz XOSVXZLEKLNKAC-NRFANRHFSA-N 0 0 491.635 1.324 50 0 JDAARN O=C(CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)OCC(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000012589485 556085967 /nfs/dbraw/zinc/08/59/67/556085967.db2.gz QQEQHVZUZKREIA-RTBURBONSA-N 0 0 459.930 1.873 50 0 JDAARN Cn1nnnc1SCC(=O)Nc1ccc(C(=O)NCC2(N3CCOCC3)CCCCC2)cc1 ZINC000023736983 556086916 /nfs/dbraw/zinc/08/69/16/556086916.db2.gz QIBUJZNVCBEXQA-UHFFFAOYSA-N 0 0 473.603 1.706 50 0 JDAARN O=C1NC2(CCCCC2)C(=O)N1CN1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 ZINC000023761265 556087508 /nfs/dbraw/zinc/08/75/08/556087508.db2.gz GWIHFQSDWFAPDB-UHFFFAOYSA-N 0 0 478.571 1.366 50 0 JDAARN CCc1cccc2c1NC(=O)[C@]21N[C@@H](CC(N)=O)[C@H]2C(=O)N(Cc3ccccc3OC)C(=O)[C@H]21 ZINC000015956619 556088363 /nfs/dbraw/zinc/08/83/63/556088363.db2.gz IJINYSAVVXFPFF-HOKASXAUSA-N 0 0 462.506 1.054 50 0 biogenic JDAARN CCc1cccc2c1NC(=O)[C@]21N[C@H](CC(N)=O)[C@H]2C(=O)N(Cc3ccccc3OC)C(=O)[C@H]21 ZINC000015956621 556088377 /nfs/dbraw/zinc/08/83/77/556088377.db2.gz IJINYSAVVXFPFF-OIBPMIBVSA-N 0 0 462.506 1.054 50 0 biogenic JDAARN CCc1cccc2c1NC(=O)[C@@]21N[C@@H](CC(N)=O)[C@H]2C(=O)N(Cc3ccccc3OC)C(=O)[C@H]21 ZINC000015956618 556088425 /nfs/dbraw/zinc/08/84/25/556088425.db2.gz IJINYSAVVXFPFF-KHTISZTLSA-N 0 0 462.506 1.054 50 0 biogenic JDAARN O=C(CNC(=O)c1ccc2ccccc2c1)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 ZINC000023805731 556088934 /nfs/dbraw/zinc/08/89/34/556088934.db2.gz XKOHCIGTBQRZRT-UHFFFAOYSA-N 0 0 461.547 1.983 50 0 JDAARN COc1ccc(CNC(=O)COC(=O)CN2C(=O)N[C@](C)(c3ccccc3)C2=O)cc1OC ZINC000023817862 556089305 /nfs/dbraw/zinc/08/93/05/556089305.db2.gz IENBCOKISSWZBX-HSZRJFAPSA-N 0 0 455.467 1.330 50 0 JDAARN CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](CC(N)=O)N[C@@]32c3ccc(C)c(C)c3NC2=O)cc1 ZINC000015957926 556089558 /nfs/dbraw/zinc/08/95/58/556089558.db2.gz XCDFFUTZDOEVTN-FGFYRLLUSA-N 0 0 490.516 1.281 50 0 biogenic JDAARN COc1cc(C(=O)N2CCN(CCOc3ccccc3)CC2)ccc1OCC(=O)N1CCOCC1 ZINC000023818934 556089719 /nfs/dbraw/zinc/08/97/19/556089719.db2.gz PBMDKYLINHSZAY-UHFFFAOYSA-N 0 0 483.565 1.770 50 0 JDAARN O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)N1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000023818342 556089741 /nfs/dbraw/zinc/08/97/41/556089741.db2.gz KPOAUOPBFOCVRF-UHFFFAOYSA-N 0 0 460.534 1.338 50 0 JDAARN COc1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)[C@H](CC(N)=O)N[C@@]32c3cc(C)cc(Cl)c3NC2=O)cc1 ZINC000015958591 556090196 /nfs/dbraw/zinc/09/01/96/556090196.db2.gz FKNYZLPNAVUPGM-DOGKRZLPSA-N 0 0 482.924 1.453 50 0 biogenic JDAARN Cc1cc2c(c(Cl)c1)NC(=O)[C@]21N[C@@H](CC(N)=O)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21 ZINC000015958834 556090739 /nfs/dbraw/zinc/09/07/39/556090739.db2.gz IDYAUYJHCDEREF-XITLKHQFSA-N 0 0 452.898 1.444 50 0 biogenic JDAARN Cc1c2c(ccc1Cl)[C@@]1(N[C@H](CC(N)=O)[C@H]3C(=O)N(Cc4ccc5c(c4)OCO5)C(=O)[C@H]31)C(=O)N2 ZINC000015959585 556091339 /nfs/dbraw/zinc/09/13/39/556091339.db2.gz YNIQIZNRUKXHJG-FRLSHVLYSA-N 0 0 496.907 1.173 50 0 biogenic JDAARN O=C(CNC(=O)c1sc2ccccc2c1Cl)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000023846174 556092034 /nfs/dbraw/zinc/09/20/34/556092034.db2.gz KTOKLLKUIVGCJJ-ZDUSSCGKSA-N 0 0 455.989 1.616 50 0 JDAARN Cc1c2c(ccc1Cl)[C@@]1(N[C@H](CC(N)=O)[C@H]3C(=O)N(CCc4ccccc4)C(=O)[C@H]31)C(=O)N2 ZINC000015959821 556092077 /nfs/dbraw/zinc/09/20/77/556092077.db2.gz SUTBASSTIJUPRM-BKJGLDIHSA-N 0 0 466.925 1.487 50 0 biogenic JDAARN COc1ccc([C@@H](CNC(=O)CN(c2ccccc2C)S(C)(=O)=O)N2CCOCC2)cc1 ZINC000023864692 556093512 /nfs/dbraw/zinc/09/35/12/556093512.db2.gz LXNZHCIXCWCJOF-JOCHJYFZSA-N 0 0 461.584 1.959 50 0 JDAARN O=C1C(=O)N(CN2CCN(S(=O)(=O)Cc3ccccc3)CC2)C(=O)N1CCc1cccs1 ZINC000023864677 556093543 /nfs/dbraw/zinc/09/35/43/556093543.db2.gz CAFFZWKRTAZLBQ-UHFFFAOYSA-N 0 0 476.580 1.187 50 0 JDAARN CCc1cccc2c1NC(=O)[C@@]21N[C@@H]([C@@H](C)O)[C@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]21 ZINC000015968158 556094086 /nfs/dbraw/zinc/09/40/86/556094086.db2.gz CPBSHRHZWWGOEB-MCYZMOQXSA-N 0 0 463.490 1.279 50 0 biogenic JDAARN NC(=O)C[C@H]1N[C@]2(C(=O)Nc3c2cccc3Cl)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]12 ZINC000015968244 556094576 /nfs/dbraw/zinc/09/45/76/556094576.db2.gz FOXOTUJWTVHLJC-VGHKVXAASA-N 0 0 452.898 1.179 50 0 biogenic JDAARN O=C(NCc1ccccc1CN1CCOCC1)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1 ZINC000023866620 556095165 /nfs/dbraw/zinc/09/51/65/556095165.db2.gz HWBONIRRGAXTDN-JOCHJYFZSA-N 0 0 473.595 1.906 50 0 JDAARN O=C1N[C@@H](Cc2ccccc2)C(=O)N1CN1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 ZINC000023866806 556095214 /nfs/dbraw/zinc/09/52/14/556095214.db2.gz FZJBZGGNCSVUGU-QHCPKHFHSA-N 0 0 482.606 1.992 50 0 JDAARN O=C(Nc1ccc2c(c1)OCCCO2)c1cccc(S(=O)(=O)NCCN2CCOCC2)c1 ZINC000023866633 556095234 /nfs/dbraw/zinc/09/52/34/556095234.db2.gz KJRTXLGUPMDNQV-UHFFFAOYSA-N 0 0 461.540 1.711 50 0 JDAARN Cc1cc(Cl)cc2c1NC(=O)[C@@]21N[C@H](CC(N)=O)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000015969631 556095649 /nfs/dbraw/zinc/09/56/49/556095649.db2.gz IBJQJMXXEBRGSG-SYSFZUQMSA-N 0 0 466.925 1.487 50 0 biogenic JDAARN COCCN(CCOC)S(=O)(=O)c1cccc(C(=O)N2CCN(Cc3cccs3)CC2)c1 ZINC000023873032 556096211 /nfs/dbraw/zinc/09/62/11/556096211.db2.gz BJAISSDWRKYDEK-UHFFFAOYSA-N 0 0 481.640 1.990 50 0 JDAARN C[C@@H](Sc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cn1)C(=O)N1CCNC1=O ZINC000023873139 556096603 /nfs/dbraw/zinc/09/66/03/556096603.db2.gz JTAHOMJTCFSZKH-QGZVFWFLSA-N 0 0 489.623 1.621 50 0 JDAARN COc1ccc(N2C(=O)C(=O)N(CN3CCCN(S(=O)(=O)c4ccc(C)cc4)CC3)C2=O)cc1 ZINC000023873383 556097117 /nfs/dbraw/zinc/09/71/17/556097117.db2.gz MKLWVFNPGZHGHO-UHFFFAOYSA-N 0 0 486.550 1.653 50 0 JDAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C(=O)NC[C@@H]3CCCO3)C(C)C)CC2)cc1 ZINC000015974734 556097527 /nfs/dbraw/zinc/09/75/27/556097527.db2.gz LAWZRWFMAAIMKC-PZJWPPBQSA-N 0 0 465.616 1.832 50 0 JDAARN C[C@]1(c2ccc3c(c2)OCCO3)NC(=O)N(CN2CCN(S(=O)(=O)c3ccccc3)CC2)C1=O ZINC000023880979 556097775 /nfs/dbraw/zinc/09/77/75/556097775.db2.gz UPODRFZUZLNCQV-HSZRJFAPSA-N 0 0 486.550 1.189 50 0 JDAARN C[C@@]1(c2ccc3c(c2)OCCO3)NC(=O)N(CN2CCN(S(=O)(=O)c3ccccc3)CC2)C1=O ZINC000023880975 556097803 /nfs/dbraw/zinc/09/78/03/556097803.db2.gz UPODRFZUZLNCQV-QHCPKHFHSA-N 0 0 486.550 1.189 50 0 JDAARN CCOC(=O)CCCNC(=O)CSc1nnc(-c2cccc(S(=O)(=O)N(CC)CC)c2)n1N ZINC000015979755 556098771 /nfs/dbraw/zinc/09/87/71/556098771.db2.gz IRSDEXANHIPBBT-UHFFFAOYSA-N 0 0 498.631 1.241 50 0 JDAARN COc1ccc(CN2CCN(C(=O)c3ccc(NC(=O)CSc4nnnn4C)cc3)CC2)cc1 ZINC000023907874 556099599 /nfs/dbraw/zinc/09/95/99/556099599.db2.gz KZMFSVREIFNJPL-UHFFFAOYSA-N 0 0 481.582 1.908 50 0 JDAARN Cn1nnnc1SCC(=O)Nc1ccc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000023935144 556101646 /nfs/dbraw/zinc/10/16/46/556101646.db2.gz QRLBBSYXVUBYNM-UHFFFAOYSA-N 0 0 495.565 1.628 50 0 JDAARN Cc1ccc(C)c(-n2nnnc2SCC(=O)NN2C(=O)N[C@@](C)(c3ccccc3)C2=O)c1 ZINC000023936086 556102332 /nfs/dbraw/zinc/10/23/32/556102332.db2.gz QESOKYBCLJXSGB-NRFANRHFSA-N 0 0 451.512 1.870 50 0 JDAARN C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)C1=O ZINC000023948193 556103684 /nfs/dbraw/zinc/10/36/84/556103684.db2.gz VVIVYOCSYVNKDX-HSZRJFAPSA-N 0 0 470.551 1.987 50 0 JDAARN C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000023955737 556104072 /nfs/dbraw/zinc/10/40/72/556104072.db2.gz QYQJNRQXYOPUDI-HNNXBMFYSA-N 0 0 456.524 1.187 50 0 JDAARN O=C(CN1CCN(c2ccccn2)CC1)NN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O ZINC000023955900 556104199 /nfs/dbraw/zinc/10/41/99/556104199.db2.gz NQIKDLFJYMDUFH-UHFFFAOYSA-N 0 0 470.533 1.730 50 0 JDAARN Cc1ccc(-c2nnn(CN3CCN(S(=O)(=O)c4ccc5c(c4)OCCCO5)CC3)n2)cc1 ZINC000023955973 556104273 /nfs/dbraw/zinc/10/42/73/556104273.db2.gz XYRNLOLQOQBLOR-UHFFFAOYSA-N 0 0 470.555 1.774 50 0 JDAARN CCn1c(CN2CCN(C(=O)c3ccco3)CC2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000023956352 556105225 /nfs/dbraw/zinc/10/52/25/556105225.db2.gz NTEXOMPSUGOQMG-UHFFFAOYSA-N 0 0 487.582 1.628 50 0 JDAARN COc1ccc(CNC(=O)[C@H]2CS[C@@](C)(C(=O)NCc3ccc(OC)cc3)N2C(=O)CO)cc1 ZINC000016000899 556105679 /nfs/dbraw/zinc/10/56/79/556105679.db2.gz LSMHLOXPVFVJQQ-YKSBVNFPSA-N 0 0 487.578 1.289 50 0 JDAARN NC(=O)C[C@H]1N[C@@]2(C(=O)Nc3c2cccc3Cl)[C@@H]2C(=O)N(Cc3ccccc3Cl)C(=O)[C@H]12 ZINC000016009696 556108089 /nfs/dbraw/zinc/10/80/89/556108089.db2.gz CPDZJNFKRQNLFI-PPSDVSMJSA-N 0 0 473.316 1.789 50 0 JDAARN Cc1c2c(ccc1Cl)[C@]1(N[C@H](CC(N)=O)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]31)C(=O)N2 ZINC000016009782 556108709 /nfs/dbraw/zinc/10/87/09/556108709.db2.gz OQIFGHCCGGCTNG-SAQZZPNQSA-N 0 0 452.898 1.444 50 0 JDAARN CCCCc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](CC(N)=O)N[C@@]32c3cc(F)ccc3NC2=O)cc1 ZINC000016010213 556109890 /nfs/dbraw/zinc/10/98/90/556109890.db2.gz PCOQEQSJMJJEIL-ZHBILRMLSA-N 0 0 464.497 1.969 50 0 JDAARN NC(=O)C[C@@H]1N[C@@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@@H]21 ZINC000016013139 556112030 /nfs/dbraw/zinc/11/20/30/556112030.db2.gz VSKSPZHWNJAIFH-KANGHSEISA-N 0 0 456.861 1.275 50 0 JDAARN Cc1ccc2c(c1C)NC(=O)[C@@]21N[C@@H](CC(N)=O)[C@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]21 ZINC000016013188 556112152 /nfs/dbraw/zinc/11/21/52/556112152.db2.gz SBLZMJXTOYBWAV-NARGUJOISA-N 0 0 450.470 1.239 50 0 JDAARN Cc1ccc2c(c1C)NC(=O)[C@]21N[C@H](CC(N)=O)[C@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]21 ZINC000016013194 556112357 /nfs/dbraw/zinc/11/23/57/556112357.db2.gz SBLZMJXTOYBWAV-BKJGLDIHSA-N 0 0 450.470 1.239 50 0 JDAARN CC(C)CN(C(=O)CN(C)C(=O)c1ccc(Cl)nc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000016013883 556112393 /nfs/dbraw/zinc/11/23/93/556112393.db2.gz WQBILQICGKWEDP-UHFFFAOYSA-N 0 0 464.954 1.584 50 0 JDAARN COc1ccccc1CN(Cc1cccs1)C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000016015025 556112740 /nfs/dbraw/zinc/11/27/40/556112740.db2.gz TWFZVGZLKKEKGA-UHFFFAOYSA-N 0 0 453.524 1.733 50 0 JDAARN Cc1cccc2c1NC(=O)[C@]21N[C@@H](CC(N)=O)[C@H]2C(=O)N(Cc3ccccc3Cl)C(=O)[C@H]21 ZINC000016021293 556113730 /nfs/dbraw/zinc/11/37/30/556113730.db2.gz DJFORABKBRCNIF-XITLKHQFSA-N 0 0 452.898 1.444 50 0 JDAARN C[C@H](C(=O)Nc1sc2c(c1C(N)=O)CCC2)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000012804869 556114532 /nfs/dbraw/zinc/11/45/32/556114532.db2.gz QZKBGMWXHJNDCE-RDTXWAMCSA-N 0 0 484.578 1.647 50 0 JDAARN O=C(Nc1ccc(S(=O)(=O)NCCCN2CCOCC2)cc1)c1cnn(-c2ccccc2)n1 ZINC000023990240 556114763 /nfs/dbraw/zinc/11/47/63/556114763.db2.gz LBRORMIIKWZXLF-UHFFFAOYSA-N 0 0 470.555 1.520 50 0 JDAARN NC(=O)C[C@@H]1N[C@]2(C(=O)Nc3ccc(Br)cc32)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@@H]21 ZINC000016022294 556115032 /nfs/dbraw/zinc/11/50/32/556115032.db2.gz NDQQAFYXYIQWJA-FAODYONGSA-N 0 0 497.349 1.288 50 0 JDAARN NC(=O)C[C@@H]1N[C@@]2(C(=O)Nc3ccc(Br)cc32)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@@H]21 ZINC000016022296 556115083 /nfs/dbraw/zinc/11/50/83/556115083.db2.gz NDQQAFYXYIQWJA-QYUDBREXSA-N 0 0 497.349 1.288 50 0 JDAARN CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CSc2nnc(C[C@H]3CCS(=O)(=O)C3)o2)C1=O ZINC000012819739 556115544 /nfs/dbraw/zinc/11/55/44/556115544.db2.gz BWZYTSNVSJUYQG-XCLFUZPHSA-N 0 0 493.567 1.027 50 0 JDAARN CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)CSc2nnc(C[C@H]3CCS(=O)(=O)C3)o2)C1=O ZINC000012819745 556115630 /nfs/dbraw/zinc/11/56/30/556115630.db2.gz BWZYTSNVSJUYQG-ZUOKHONESA-N 0 0 493.567 1.027 50 0 JDAARN 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CCOc1ccc(OCCNC(=O)COC(=O)[C@@H](C)NC2=NS(=O)(=O)c3ccccc32)cc1 ZINC000032747323 556483988 /nfs/dbraw/zinc/48/39/88/556483988.db2.gz MLRMMDRTQCVVBW-OAHLLOKOSA-N 0 0 475.523 1.251 50 0 JDAARN Cc1cccc(NC(=O)CN2CCN(CC(=O)NC[C@H]3COc4ccccc4O3)CC2)c1C ZINC000032759505 556487719 /nfs/dbraw/zinc/48/77/19/556487719.db2.gz ZBCIUDAHTGFJJU-FQEVSTJZSA-N 0 0 452.555 1.816 50 0 JDAARN COc1cc(C(=O)N2CCN(CC(=O)Nc3cccc(C)c3C)CC2)ccc1OCC(N)=O ZINC000032768643 556489464 /nfs/dbraw/zinc/48/94/64/556489464.db2.gz SRBXJIFVTBVLOS-UHFFFAOYSA-N 0 0 454.527 1.573 50 0 JDAARN CN(c1ccc(OS(=O)(=O)c2cc(C(N)=O)n(C)c2)cc1)S(=O)(=O)c1cccs1 ZINC000032770634 556489671 /nfs/dbraw/zinc/48/96/71/556489671.db2.gz KRCMJQVUUADGAL-UHFFFAOYSA-N 0 0 455.539 1.778 50 0 JDAARN C[C@@H](OC(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1)C(=O)N1CCNC1=O ZINC000032776126 556491371 /nfs/dbraw/zinc/49/13/71/556491371.db2.gz SLYJOJJQQVAOOV-JHJVBQTASA-N 0 0 473.935 1.235 50 0 JDAARN C[C@H](OC(=O)CCc1nc(-c2ccc(Cl)cc2)no1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000032776506 556491994 /nfs/dbraw/zinc/49/19/94/556491994.db2.gz DUFQGZAXLZHZMO-WFASDCNBSA-N 0 0 455.920 1.900 50 0 JDAARN C[C@H](OC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000032776528 556492056 /nfs/dbraw/zinc/49/20/56/556492056.db2.gz DJDOTTNNUJUFLR-XYJFISCASA-N 0 0 451.545 1.508 50 0 JDAARN C[C@@H](OC(=O)CCc1nc(-c2ccc(Cl)cc2)no1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000032776503 556492103 /nfs/dbraw/zinc/49/21/03/556492103.db2.gz DUFQGZAXLZHZMO-IUODEOHRSA-N 0 0 455.920 1.900 50 0 JDAARN CCN(CC)S(=O)(=O)c1ccc2[nH]c(CSc3nnc([C@@H]4CCS(=O)(=O)C4)n3C)nc2c1 ZINC000032777842 556492645 /nfs/dbraw/zinc/49/26/45/556492645.db2.gz OCAPHTFLSPUNLL-CYBMUJFWSA-N 0 0 498.656 1.916 50 0 JDAARN CCN(CC)S(=O)(=O)c1ccc2[nH]c(CSc3nnc([C@H]4CCS(=O)(=O)C4)n3C)nc2c1 ZINC000032777845 556492667 /nfs/dbraw/zinc/49/26/67/556492667.db2.gz OCAPHTFLSPUNLL-ZDUSSCGKSA-N 0 0 498.656 1.916 50 0 JDAARN O=C(c1ccc(N2CCCS2(=O)=O)cc1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000032808735 556498329 /nfs/dbraw/zinc/49/83/29/556498329.db2.gz LAFFMMUAYDCATE-UHFFFAOYSA-N 0 0 489.619 1.862 50 0 JDAARN Cc1ccc(-c2nn(CN3CCN(S(=O)(=O)N4C[C@@H](C)O[C@H](C)C4)CC3)c(=S)[nH]2)cc1 ZINC000032809689 556499736 /nfs/dbraw/zinc/49/97/36/556499736.db2.gz GBGGLMGMGJPLTK-IAGOWNOFSA-N 0 0 466.633 1.845 50 0 JDAARN CCOc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](CCSC)NC(=O)C3CC3)CC2)cc1 ZINC000032809861 556500190 /nfs/dbraw/zinc/50/01/90/556500190.db2.gz NKLHYFOYFMGNAO-IBGZPJMESA-N 0 0 469.629 1.566 50 0 JDAARN CCOC(=O)c1c(CC(C)C)csc1NC(=O)CN1C(=O)N[C@H](CC(=O)N2CCCC2)C1=O ZINC000032810270 556501022 /nfs/dbraw/zinc/50/10/22/556501022.db2.gz WSHPIRXAOIIYDT-OAHLLOKOSA-N 0 0 478.571 1.995 50 0 JDAARN CCCCn1c(N)c(N(CC)C(=O)CCc2c(C)nc3nc(C(F)(F)F)nn3c2C)c(=O)[nH]c1=O ZINC000032810684 556501595 /nfs/dbraw/zinc/50/15/95/556501595.db2.gz BKIINUIXIHNDOM-UHFFFAOYSA-N 0 0 496.494 1.978 50 0 JDAARN COc1ccc(NC(C)=O)cc1NC(=O)COC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000032814975 556502464 /nfs/dbraw/zinc/50/24/64/556502464.db2.gz YSVGVKJBFCXGNY-UHFFFAOYSA-N 0 0 490.538 1.631 50 0 JDAARN COc1ccc(-c2noc(CN3CCN(C(=O)C4=NN(c5ccc(C)cc5)C(=O)CN4)CC3)n2)cc1 ZINC000032818994 556503400 /nfs/dbraw/zinc/50/34/00/556503400.db2.gz PHQWYPXCUZEQSR-UHFFFAOYSA-N 0 0 489.536 1.648 50 0 JDAARN COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)Nc2ccc([C@]3(C)NC(=O)NC3=O)cc2)c1 ZINC000032818939 556503425 /nfs/dbraw/zinc/50/34/25/556503425.db2.gz QKIAUUUBSGESPB-FQEVSTJZSA-N 0 0 461.452 1.115 50 0 JDAARN NS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(-n4cccc4)cc3)CC2)cc1 ZINC000032819241 556503920 /nfs/dbraw/zinc/50/39/20/556503920.db2.gz HUMPWESJUTWHEU-UHFFFAOYSA-N 0 0 474.564 1.271 50 0 JDAARN CCOC(=O)[C@H]1CCCCN1S(=O)(=O)N1CCC(C(=O)N2CCc3ccccc3C2)CC1 ZINC000032824149 556504740 /nfs/dbraw/zinc/50/47/40/556504740.db2.gz XTZGTYUZRIWFNH-OAQYLSRUSA-N 0 0 463.600 1.946 50 0 JDAARN 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1.950 50 0 JDAARN COc1cccc(N2C(=O)C[C@@H](N3CCN([C@H]4CC(=O)N(c5cccc(OC)c5)C4=O)CC3)C2=O)c1 ZINC000100043878 569751891 /nfs/dbraw/zinc/75/18/91/569751891.db2.gz POVQCMMBRALZBK-SZPZYZBQSA-N 0 0 492.532 1.285 50 0 JDAARN CCNC(=S)N(CCOC)Cc1cnc(S(=O)(=O)Cc2cccc(OC)c2)n1CCOC ZINC000036032146 569752188 /nfs/dbraw/zinc/75/21/88/569752188.db2.gz VUCICCIMVAPRFY-UHFFFAOYSA-N 0 0 484.644 1.855 50 0 JDAARN CCOC(=O)c1ccc(N2C(=O)C[C@H](N3CCN(c4ccc(S(C)(=O)=O)cc4)CC3)C2=O)cc1 ZINC000100180498 569754911 /nfs/dbraw/zinc/75/49/11/569754911.db2.gz NVEZNKVQMHSUAI-NRFANRHFSA-N 0 0 485.562 1.721 50 0 JDAARN COC(=O)c1c(C)nc(C)c(C(=O)OC)c1-c1csc(S(=O)(=O)NN2CCOCC2)c1 ZINC000036047229 569755668 /nfs/dbraw/zinc/75/56/68/569755668.db2.gz FEQXXURYHCSTTR-UHFFFAOYSA-N 0 0 469.541 1.526 50 0 JDAARN COC(=O)C[C@]12C(=O)NCCN1[C@H](c1ccc(OC)cc1)[C@@H]1C(=O)N(c3ccc(C)cc3)C(=O)[C@H]12 ZINC000100253305 569756408 /nfs/dbraw/zinc/75/64/08/569756408.db2.gz JHUFGLRYBFTRHU-SRCYTUNASA-N 0 0 477.517 1.598 50 0 JDAARN 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C[C@@H](NC(=O)CN1C(=O)N[C@](C)(c2cccc(-n3cnnn3)c2)C1=O)c1ccc2c(c1)OCCO2 ZINC000012681634 195084417 /nfs/dbraw/zinc/08/44/17/195084417.db2.gz AQGQINNEFNAMFR-QKFKETGDSA-N 0 0 477.481 1.078 50 0 JDAARN CCN(C[C@@H]1COc2ccccc2O1)C(=O)CN1C(=O)N[C@](C)(c2cccc(-n3cnnn3)c2)C1=O ZINC000012682815 195084769 /nfs/dbraw/zinc/08/47/69/195084769.db2.gz QRQXXYLNDIHPKS-HOYKHHGWSA-N 0 0 491.508 1.118 50 0 JDAARN CCNC(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1CC(C)C ZINC000012688545 195087062 /nfs/dbraw/zinc/08/70/62/195087062.db2.gz LLHRMCQWSSOVOR-UHFFFAOYSA-N 0 0 467.617 1.850 50 0 JDAARN O=C(CSc1nnnn1C[C@H]1CCCO1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000012689592 195087659 /nfs/dbraw/zinc/08/76/59/195087659.db2.gz OAAPMEBGYSYBIL-OAHLLOKOSA-N 0 0 452.562 1.367 50 0 JDAARN NS(=O)(=O)c1cccc(NC(=O)COC(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)c1 ZINC000012690292 195087897 /nfs/dbraw/zinc/08/78/97/195087897.db2.gz HEZWGAHEXQUNNA-UHFFFAOYSA-N 0 0 483.458 1.519 50 0 JDAARN C[C@H](Sc1nnnn1C1CCCC1)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000012690036 195087918 /nfs/dbraw/zinc/08/79/18/195087918.db2.gz CKIDHUZRHRUAGT-AWEZNQCLSA-N 0 0 466.589 1.928 50 0 JDAARN C[C@]1(Cc2ccc3c(c2)OCO3)NC(=O)N(CC(=O)NC[C@@H]2COc3ccccc3O2)C1=O ZINC000012690838 195088165 /nfs/dbraw/zinc/08/81/65/195088165.db2.gz GNRIDEUFAPJBHE-IQMFZBJNSA-N 0 0 453.451 1.225 50 0 JDAARN CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)cc1 ZINC000012696857 195090385 /nfs/dbraw/zinc/09/03/85/195090385.db2.gz UYZHIHMKBFEAET-UHFFFAOYSA-N 0 0 494.595 1.689 50 0 JDAARN C[C@]1(NC(=O)CSc2nc(CN3CCOCC3)nc3ccccc32)CCS(=O)(=O)C1 ZINC000012707301 195093126 /nfs/dbraw/zinc/09/31/26/195093126.db2.gz JMFHKIPAFQWSJV-FQEVSTJZSA-N 0 0 450.586 1.248 50 0 JDAARN CC(=O)OC[C@H]1O[C@@H](Oc2ccc(Cl)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000012656616 195078378 /nfs/dbraw/zinc/07/83/78/195078378.db2.gz SALMOSOXXNZOJP-OUUBHVDSSA-N 0 0 458.847 1.802 50 0 biogenic JDAARN COc1ccccc1NC(=O)COC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000012658459 195078942 /nfs/dbraw/zinc/07/89/42/195078942.db2.gz TWLMPLBFYHAQLP-UHFFFAOYSA-N 0 0 462.524 1.831 50 0 JDAARN CCCn1c(N)c(N2CCOCC2)c(=O)n(CC(=O)Nc2cccc(Br)c2)c1=O ZINC000012727244 195097593 /nfs/dbraw/zinc/09/75/93/195097593.db2.gz CBYIGCSJOVGVKY-UHFFFAOYSA-N 0 0 466.336 1.240 50 0 JDAARN CCCn1c(N)c(N2CCOCC2)c(=O)n(CC(=O)Nc2ccc(OC)c(Cl)c2)c1=O ZINC000012727312 195097601 /nfs/dbraw/zinc/09/76/01/195097601.db2.gz ICLBCQZGIINKDL-UHFFFAOYSA-N 0 0 451.911 1.140 50 0 JDAARN O=C(CNC(=O)NCc1ccc(F)cc1)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 ZINC000012730442 195098711 /nfs/dbraw/zinc/09/87/11/195098711.db2.gz MRVJIXLDHKRMBV-UHFFFAOYSA-N 0 0 470.473 1.436 50 0 JDAARN O=C(CNC(=O)NCc1ccc(F)cc1)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 ZINC000012734929 195099834 /nfs/dbraw/zinc/09/98/34/195099834.db2.gz HLMAOQMQMGQWHE-UHFFFAOYSA-N 0 0 470.473 1.436 50 0 JDAARN C[C@H](OC(=O)[C@@H]1Cc2ccccc2C(=O)O1)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000012739724 195100814 /nfs/dbraw/zinc/10/08/14/195100814.db2.gz NICAYJHTPJRHLQ-YWZLYKJASA-N 0 0 488.518 1.359 50 0 JDAARN C[C@@H](OC(=O)[C@H]1Cc2ccccc2C(=O)O1)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000012739726 195100881 /nfs/dbraw/zinc/10/08/81/195100881.db2.gz NICAYJHTPJRHLQ-FOIQADDNSA-N 0 0 488.518 1.359 50 0 JDAARN C[C@H](OC(=O)[C@H]1Cc2ccccc2C(=O)O1)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000012739728 195100911 /nfs/dbraw/zinc/10/09/11/195100911.db2.gz NICAYJHTPJRHLQ-MGPUTAFESA-N 0 0 488.518 1.359 50 0 JDAARN COc1ccc(S(=O)(=O)N2CCN(CC(=O)N(C)Cc3ccccc3F)CC2)cc1OC ZINC000012743415 195101611 /nfs/dbraw/zinc/10/16/11/195101611.db2.gz LSKLBXVVGGFXEC-UHFFFAOYSA-N 0 0 465.547 1.808 50 0 JDAARN COC(=O)C1(NS(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CCCCCC1 ZINC000012742126 195101328 /nfs/dbraw/zinc/10/13/28/195101328.db2.gz NGFLREBNPSTUAC-UHFFFAOYSA-N 0 0 460.574 1.252 50 0 JDAARN CCOc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cc4c(cc3Cl)NC(=O)C4)CC2)cc1 ZINC000012742135 195101336 /nfs/dbraw/zinc/10/13/36/195101336.db2.gz 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C[C@@H](OC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)NCc1ccccc1 ZINC000012771824 195118201 /nfs/dbraw/zinc/11/82/01/195118201.db2.gz JEMTWORXVLEDDL-APWZRJJASA-N 0 0 474.535 1.859 50 0 JDAARN CN(Cc1nc2ccccc2s1)C(=O)CN1C(=O)N[C@](C)(c2cccc(-n3cnnn3)c2)C1=O ZINC000012774599 195119853 /nfs/dbraw/zinc/11/98/53/195119853.db2.gz PERSILJIYCJWKX-JOCHJYFZSA-N 0 0 476.522 1.698 50 0 JDAARN Cc1ccc(NC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1S(=O)(=O)N1CCCCC1 ZINC000012775158 195120401 /nfs/dbraw/zinc/12/04/01/195120401.db2.gz CDVDIONDKFSEDR-KRWDZBQOSA-N 0 0 496.611 1.274 50 0 JDAARN COC(=O)CCn1c(SCCN2C(=O)c3ccccc3S2(=O)=O)nc2ccccc2c1=O ZINC000012778365 195122743 /nfs/dbraw/zinc/12/27/43/195122743.db2.gz PSFPZPJUONQJFX-UHFFFAOYSA-N 0 0 473.532 1.896 50 0 JDAARN CCOC(=O)N1CCC[C@H](C(=O)N2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)C1 ZINC000012779783 195123564 /nfs/dbraw/zinc/12/35/64/195123564.db2.gz ZNEANNYYEDNGFL-INIZCTEOSA-N 0 0 469.560 1.405 50 0 JDAARN COCCN(CC(=O)NN1C(=O)NC2(CCC(C)CC2)C1=O)Cc1nnc(-c2cccs2)o1 ZINC000012780993 195124848 /nfs/dbraw/zinc/12/48/48/195124848.db2.gz OSAXETSEOUROLE-UHFFFAOYSA-N 0 0 476.559 1.778 50 0 JDAARN O=C(CNc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1)N1CC(=O)Nc2ccccc21 ZINC000012783125 195125700 /nfs/dbraw/zinc/12/57/00/195125700.db2.gz MRADNFFDQLQNJH-UHFFFAOYSA-N 0 0 499.593 1.705 50 0 JDAARN O=C(NC[C@H](c1cccs1)N1CCOCC1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000012783556 195125991 /nfs/dbraw/zinc/12/59/91/195125991.db2.gz YRUDNOZZAMBVNY-LJQANCHMSA-N 0 0 482.603 1.977 50 0 JDAARN O=C(CCn1nc(-c2cccs2)oc1=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000012785764 195127669 /nfs/dbraw/zinc/12/76/69/195127669.db2.gz ORZWICJDEPXEIW-KRWDZBQOSA-N 0 0 470.507 1.466 50 0 JDAARN O=C([C@@H](c1ccccc1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1)N1CCOCC1 ZINC000012785669 195127710 /nfs/dbraw/zinc/12/77/10/195127710.db2.gz GYWZKWOIQQINSL-DHIUTWEWSA-N 0 0 451.523 1.571 50 0 JDAARN O=C(CN1c2ccccc2OCCC1=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000012786296 195128304 /nfs/dbraw/zinc/12/83/04/195128304.db2.gz KMJMZFBQDRLQOP-UHFFFAOYSA-N 0 0 469.563 1.824 50 0 JDAARN CCN(C(=O)[C@@H](C)OC(=O)C1=NN(c2cc(C)ccc2C)C(=O)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000012786424 195128588 /nfs/dbraw/zinc/12/85/88/195128588.db2.gz LTHHXIQUDAAAJT-SJORKVTESA-N 0 0 463.556 1.754 50 0 JDAARN CCN(C(=O)c1nn(-c2ccccc2F)c(C)cc1=O)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000012786875 195128738 /nfs/dbraw/zinc/12/87/38/195128738.db2.gz DOSKULSLSXUVNQ-UHFFFAOYSA-N 0 0 490.495 1.827 50 0 JDAARN O=C(NC[C@@H]1CCCO1)c1c2c(sc1NC(=O)C1=CC=CN3CCS(=O)(=O)N=C13)CCCC2 ZINC000012786726 195128778 /nfs/dbraw/zinc/12/87/78/195128778.db2.gz GXFTWKBAPKSVEK-AWEZNQCLSA-N 0 0 490.607 1.972 50 0 JDAARN CC(C)[C@@H](NC(=O)Cc1ccccc1)C(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000012789802 195131019 /nfs/dbraw/zinc/13/10/19/195131019.db2.gz PDDYAHNLEVVGNE-LADGPHEKSA-N 0 0 465.550 1.881 50 0 JDAARN CC(C)[C@@H](NC(=O)Cc1ccccc1)C(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000012789817 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biogenic JDAARN CNS(=O)(=O)Cc1ccc(CNC(=O)[C@@H](CCSC)NC(=O)COc2ccccc2)cc1 ZINC000012890673 195172862 /nfs/dbraw/zinc/17/28/62/195172862.db2.gz BHBLZTHTPITRHQ-HXUWFJFHSA-N 0 0 479.624 1.669 50 0 JDAARN COc1ccc(C(=O)N[C@@H]2CCOc3ccccc32)cc1S(=O)(=O)NCCCN1CCOCC1 ZINC000012892154 195173652 /nfs/dbraw/zinc/17/36/52/195173652.db2.gz MPNQXOFWKSIGOW-HXUWFJFHSA-N 0 0 489.594 1.949 50 0 JDAARN CC[C@H](C)[C@H](NC(=O)c1cn(CC)c2cc3c(cc2c1=O)OCO3)C(=O)NCCOCCO ZINC000012892864 195173821 /nfs/dbraw/zinc/17/38/21/195173821.db2.gz JXTZLIHQJQDAQC-XOBRGWDASA-N 0 0 461.515 1.020 50 0 biogenic JDAARN Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N3CCN(S(=O)(=O)c4cccs4)CC3)C2=O)cc1 ZINC000012892713 195173966 /nfs/dbraw/zinc/17/39/66/195173966.db2.gz OJELQWFCXPHHMW-NRFANRHFSA-N 0 0 476.580 1.357 50 0 JDAARN CCN(CC)S(=O)(=O)c1cc(NC(=O)CSc2[nH]c(=O)nc(C)c2C(=O)OC)ccc1C ZINC000012892977 195174214 /nfs/dbraw/zinc/17/42/14/195174214.db2.gz RYOQTHHKDDDSJT-UHFFFAOYSA-N 0 0 482.584 1.935 50 0 JDAARN CC(C)(C)c1ccccc1OC[C@@H](O)CN1CCN(S(=O)(=O)c2ccc(C(N)=O)cc2)CC1 ZINC000012893700 195174289 /nfs/dbraw/zinc/17/42/89/195174289.db2.gz LRIXRJJDUCPNKD-IBGZPJMESA-N 0 0 475.611 1.829 50 0 JDAARN CN1CCN(S(=O)(=O)c2ccc(N3CCCN(S(=O)(=O)c4ccc(F)cc4)CC3)nc2)CC1 ZINC000012894529 195174562 /nfs/dbraw/zinc/17/45/62/195174562.db2.gz HHMINFBPXGNHLA-UHFFFAOYSA-N 0 0 497.618 1.058 50 0 JDAARN Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)Cn3[nH]c(=O)c4ccccc4c3=O)CC2)c1 ZINC000012895203 195174924 /nfs/dbraw/zinc/17/49/24/195174924.db2.gz PQWSMBHWTRMQAU-UHFFFAOYSA-N 0 0 456.524 1.252 50 0 JDAARN O=C(CCn1[nH]c(=O)c2ccccc2c1=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000012896233 195175419 /nfs/dbraw/zinc/17/54/19/195175419.db2.gz BJSMZHBUYCRTHU-FQEVSTJZSA-N 0 0 464.478 1.003 50 0 JDAARN Cc1ccc(NC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)cc1S(=O)(=O)N1CCOCC1 ZINC000012896489 195175436 /nfs/dbraw/zinc/17/54/36/195175436.db2.gz HNTHPPLXKFGTTA-UHFFFAOYSA-N 0 0 479.580 1.590 50 0 JDAARN COCCn1c(N)c(N(Cc2ccccc2)C(=O)[C@H]2CCCN(c3cnccn3)C2)c(=O)[nH]c1=O ZINC000012897953 195176016 /nfs/dbraw/zinc/17/60/16/195176016.db2.gz AHQAQIVYYUNLDL-SFHVURJKSA-N 0 0 479.541 1.005 50 0 JDAARN COCCn1c(N)c(N(Cc2ccccc2)C(=O)[C@@H]2CCCN(c3cnccn3)C2)c(=O)[nH]c1=O ZINC000012897946 195176090 /nfs/dbraw/zinc/17/60/90/195176090.db2.gz AHQAQIVYYUNLDL-GOSISDBHSA-N 0 0 479.541 1.005 50 0 JDAARN O=C(C[C@@H]1NC(=O)N(C[C@H](O)COc2ccc(-c3ccccc3)cc2)C1=O)N1CCOCC1 ZINC000012898441 195176452 /nfs/dbraw/zinc/17/64/52/195176452.db2.gz KXEDTIPYNXVJQW-FPOVZHCZSA-N 0 0 453.495 1.263 50 0 JDAARN CCOC(=O)C1=C(COC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)NC(=O)NC1 ZINC000012862179 195159840 /nfs/dbraw/zinc/15/98/40/195159840.db2.gz GDISUEZOVKDUDO-UHFFFAOYSA-N 0 0 485.518 1.725 50 0 JDAARN C[C@@]1(c2ccc3c(c2)CCC3)NC(=O)N(CC(=O)N(Cc2ccco2)[C@H]2CCS(=O)(=O)C2)C1=O ZINC000012863666 195160569 /nfs/dbraw/zinc/16/05/69/195160569.db2.gz NIGRIWAJQXXSQC-CYFREDJKSA-N 0 0 485.562 1.751 50 0 JDAARN O=C(Cn1cnc2cc(Cl)ccc2c1=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000012863691 195160594 /nfs/dbraw/zinc/16/05/94/195160594.db2.gz FHHLXTJCGYQCFE-HXUWFJFHSA-N 0 0 468.897 1.561 50 0 JDAARN O=C(CC[C@@H]1NC(=O)NC1=O)N1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000012903685 195178520 /nfs/dbraw/zinc/17/85/20/195178520.db2.gz ROISDMLZAOCQRF-LBPRGKRZSA-N 0 0 482.868 1.180 50 0 JDAARN C[C@H](OC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000012904382 195178721 /nfs/dbraw/zinc/17/87/21/195178721.db2.gz RWWIEXVGTPPQTH-SUMWQHHRSA-N 0 0 456.948 1.427 50 0 JDAARN CN(C(=O)COC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000012905409 195179381 /nfs/dbraw/zinc/17/93/81/195179381.db2.gz BPZLQHSUJXVIKK-KRWDZBQOSA-N 0 0 472.585 1.054 50 0 JDAARN CC(C)(C)NC(=O)CN1CCN(C(=O)CN2C(=O)N[C@@](C)(c3cccc4ccccc43)C2=O)CC1 ZINC000012906813 195180062 /nfs/dbraw/zinc/18/00/62/195180062.db2.gz CHBHSPHEIPXYFT-SANMLTNESA-N 0 0 479.581 1.666 50 0 JDAARN CCOC(=O)[C@H]1CCCN(C(=O)C2=CC(c3cc(OC)ccc3OC)=NS(=O)(=O)N2C)C1 ZINC000020609557 195182694 /nfs/dbraw/zinc/18/26/94/195182694.db2.gz NYOOTTIEGPHYEB-AWEZNQCLSA-N 0 0 465.528 1.369 50 0 JDAARN COc1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)[C@H]([C@H](C)O)N[C@]32C(=O)Nc3c2cccc3Cl)cc1 ZINC000020610765 195183788 /nfs/dbraw/zinc/18/37/88/195183788.db2.gz RBPAMSGCBPOMDZ-DNGYDEBPSA-N 0 0 455.898 1.650 50 0 biogenic JDAARN O=C(NCCN1CCOCC1)C(=O)NC[C@H](c1cccs1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000020614661 195187011 /nfs/dbraw/zinc/18/70/11/195187011.db2.gz DDAUSDJMQOPAQY-GOSISDBHSA-N 0 0 486.015 1.481 50 0 JDAARN O=C(CCCCn1c(=O)[nH]c2ccccc2c1=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000020616808 195188416 /nfs/dbraw/zinc/18/84/16/195188416.db2.gz ACNLQHBHNOMEMW-UHFFFAOYSA-N 0 0 464.522 1.933 50 0 JDAARN Cn1cc(C(=O)N2CCN(Cc3ccco3)CC2)c(C(=O)N2CCN(Cc3ccco3)CC2)n1 ZINC000020617190 195188949 /nfs/dbraw/zinc/18/89/49/195188949.db2.gz YCMSWIIBNINHGK-UHFFFAOYSA-N 0 0 466.542 1.522 50 0 JDAARN O=C(CNC(=O)c1ccccc1)N1CCC(C(=O)N2CCN(CCc3ccccn3)CC2)CC1 ZINC000020622495 195190248 /nfs/dbraw/zinc/19/02/48/195190248.db2.gz HYZUCIFLPLCNTG-UHFFFAOYSA-N 0 0 463.582 1.437 50 0 JDAARN COc1ccc2sc(N3C[C@@]45C=C[C@@H](O4)[C@@H](C(=O)NCCN4CCOCC4)[C@@H]5C3=O)nc2c1 ZINC000020621988 195190255 /nfs/dbraw/zinc/19/02/55/195190255.db2.gz ZHGXIFFJNWUJCY-DYVMYPEFSA-N 0 0 470.551 1.040 50 0 JDAARN Cc1c(C)n(CCN2CCOCC2)c2ncn3nc(CCN4C(=O)c5ccccc5C4=O)nc3c12 ZINC000020623939 195190681 /nfs/dbraw/zinc/19/06/81/195190681.db2.gz IFDOEZJTULUPTQ-UHFFFAOYSA-N 0 0 473.537 1.867 50 0 JDAARN CCOC(=O)N1CCN(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccc(C)cc3)C2)CC1 ZINC000020686837 195205218 /nfs/dbraw/zinc/20/52/18/195205218.db2.gz XQOCHICCUQDDRT-IBGZPJMESA-N 0 0 452.577 1.342 50 0 JDAARN CN1CCN(C(=O)CN2CC[NH+]([C@H](C(=O)[O-])c3c[nH]c4cc(Br)ccc43)CC2)CC1 ZINC000020720014 195206247 /nfs/dbraw/zinc/20/62/47/195206247.db2.gz WTHLHIUBCHTABR-FQEVSTJZSA-N 0 0 478.391 1.448 50 0 JDAARN COC(=O)CC[C@H](NC(=O)N1CCc2[nH]cnc2[C@H]1c1ccc(F)c(F)c1F)C(=O)OC ZINC000020721605 195206714 /nfs/dbraw/zinc/20/67/14/195206714.db2.gz PWFQCDPWDYSJFN-SCLBCKFNSA-N 0 0 454.405 1.979 50 0 JDAARN O=C(C[C@@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O)N1CCN(Cc2ccccc2)CC1 ZINC000020728320 195208991 /nfs/dbraw/zinc/20/89/91/195208991.db2.gz YKCCDXVUFINELW-IBGZPJMESA-N 0 0 450.495 1.775 50 0 JDAARN COc1cccc(N2C[C@@H](C(=O)NCCNC(=O)c3ccc(Br)o3)CC2=O)c1 ZINC000020729223 195209153 /nfs/dbraw/zinc/20/91/53/195209153.db2.gz XLHANDBAMHUCQO-LBPRGKRZSA-N 0 0 450.289 1.950 50 0 JDAARN COc1ccccc1N1C[C@H](C(=O)NCCNS(=O)(=O)c2ccc(Cl)cc2)CC1=O ZINC000020732619 195211251 /nfs/dbraw/zinc/21/12/51/195211251.db2.gz XNSDUVQJRQLART-CQSZACIVSA-N 0 0 451.932 1.796 50 0 JDAARN COCCN(CCOC)C(=O)c1cnc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2c1O ZINC000020664394 195197476 /nfs/dbraw/zinc/19/74/76/195197476.db2.gz SRMVPXSHERKLKD-UHFFFAOYSA-N 0 0 465.572 1.684 50 0 JDAARN Cc1cn2c(nc3c2c(=O)[nH]c(=O)n3C)n1CCN1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000020664877 195198109 /nfs/dbraw/zinc/19/81/09/195198109.db2.gz AGKSCGGKAGCGBE-UHFFFAOYSA-N 0 0 473.940 1.595 50 0 JDAARN COc1ccc(C)cc1NC(=O)CNC(=O)CN1CCN(CC(=O)Nc2cccc(C)c2C)CC1 ZINC000020808532 195228847 /nfs/dbraw/zinc/22/88/47/195228847.db2.gz PJWKVVKAVLJGKR-UHFFFAOYSA-N 0 0 481.597 1.931 50 0 JDAARN O=C(C[C@@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O)Nc1ccc(CN2CCOCC2)cc1 ZINC000020737516 195213647 /nfs/dbraw/zinc/21/36/47/195213647.db2.gz CQVKTOIYKXFYHF-IBGZPJMESA-N 0 0 466.494 1.697 50 0 JDAARN COC(CNC(=O)c1cnc2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc2c1O)OC ZINC000020753936 195215521 /nfs/dbraw/zinc/21/55/21/195215521.db2.gz ZPSAUIBGALWFNA-ZIAGYGMSSA-N 0 0 451.545 1.543 50 0 JDAARN Cc1c(C(=O)NCCN2CCOCC2)sc2ncn(CC(=O)N3CCCC[C@@H]3C)c(=O)c12 ZINC000020756242 195216011 /nfs/dbraw/zinc/21/60/11/195216011.db2.gz URJJRHKYKCWBEW-HNNXBMFYSA-N 0 0 461.588 1.229 50 0 JDAARN Cc1cc(=O)oc2c3c(cc(OCC(=O)N(C)CC(=O)N4CCN(C)CC4)c12)OC(C)(C)CC3 ZINC000020759677 195217398 /nfs/dbraw/zinc/21/73/98/195217398.db2.gz IIDFUMJOOQHVRZ-UHFFFAOYSA-N 0 0 471.554 1.816 50 0 biogenic JDAARN COc1cc2ncn(CC(=O)N[C@H](C(=O)NCCc3ccccc3)C(C)C)c(=O)c2cc1OC ZINC000020761133 195217871 /nfs/dbraw/zinc/21/78/71/195217871.db2.gz UQCFSAHFZOYLNO-QHCPKHFHSA-N 0 0 466.538 1.913 50 0 biogenic JDAARN COc1ccc(CNC(=O)CN(C)S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)cc1 ZINC000020761820 195218170 /nfs/dbraw/zinc/21/81/70/195218170.db2.gz JYNXSFSTTHLZJF-UHFFFAOYSA-N 0 0 453.904 1.616 50 0 JDAARN COc1cc2ncn(CC(=O)N[C@@H](C)C(=O)N3CCc4ccccc4C3)c(=O)c2cc1OC ZINC000020762387 195218605 /nfs/dbraw/zinc/21/86/05/195218605.db2.gz HWXGCONDGRMMFQ-HNNXBMFYSA-N 0 0 450.495 1.503 50 0 biogenic JDAARN COc1ccc([C@H](CC(=O)NCCN2CCOCC2)NS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000020766123 195221375 /nfs/dbraw/zinc/22/13/75/195221375.db2.gz GFQKCQWZHLSYMA-QFIPXVFZSA-N 0 0 461.584 1.862 50 0 JDAARN CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](CC(=O)NCCCN2CCOCC2)C(C)C)cc1 ZINC000020766206 195221630 /nfs/dbraw/zinc/22/16/30/195221630.db2.gz LQIGXJYORYKIBM-FQEVSTJZSA-N 0 0 454.593 1.177 50 0 JDAARN COc1cc(CN2CCc3c(C(=O)N4CCCC4)c(OC)cc(=O)n3CC2)cc2c1OCO2 ZINC000020779508 195224405 /nfs/dbraw/zinc/22/44/05/195224405.db2.gz ZPDDAIWEDGBPMH-UHFFFAOYSA-N 0 0 455.511 1.889 50 0 JDAARN COc1ccccc1CC(=O)N1CCC([C@@]2(C)NC(=O)N(CCN3CCOCC3)C2=O)CC1 ZINC000020779977 195224686 /nfs/dbraw/zinc/22/46/86/195224686.db2.gz KVYORBJBCZRFRP-XMMPIXPASA-N 0 0 458.559 1.119 50 0 JDAARN C[C@@]1(C2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)NC(=O)N(CCN2CCOCC2)C1=O ZINC000020784657 195225481 /nfs/dbraw/zinc/22/54/81/195225481.db2.gz WTBBPWDHRUYOBD-QHCPKHFHSA-N 0 0 462.978 1.764 50 0 JDAARN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)Cn1nnc(-c2ccccc2)n1 ZINC000020794071 195225807 /nfs/dbraw/zinc/22/58/07/195225807.db2.gz KUTNHHWWQMTKCG-UHFFFAOYSA-N 0 0 458.500 1.008 50 0 JDAARN COc1cc([C@H]2SC(NC(C)=O)=NN2C(C)=O)cc(Br)c1OS(C)(=O)=O ZINC000020895607 195239644 /nfs/dbraw/zinc/23/96/44/195239644.db2.gz KTMJDERZGPVGQD-CYBMUJFWSA-N 0 0 466.335 1.797 50 0 JDAARN Cn1c2[nH]c(-c3ccc(Cl)cc3)c(-c3c(=O)[nH]c(=O)n(C)c3-n3cccc3)c2c(=O)[nH]c1=O ZINC000020896803 195240066 /nfs/dbraw/zinc/24/00/66/195240066.db2.gz DSURWVRKTWQJEO-UHFFFAOYSA-N 0 0 464.869 1.720 50 0 JDAARN COc1cccc(CN2CCc3c(C(=O)NCCCn4ccnc4)c(OC)cc(=O)n3CC2)c1 ZINC000020905934 195245066 /nfs/dbraw/zinc/24/50/66/195245066.db2.gz BHDZRKCMKMCATA-UHFFFAOYSA-N 0 0 465.554 1.940 50 0 JDAARN Cc1[nH]c2ccccc2c1CC(=O)N1CCC([C@@]2(C)NC(=O)N(CCN3CCOCC3)C2=O)CC1 ZINC000020913829 195246096 /nfs/dbraw/zinc/24/60/96/195246096.db2.gz UDNQLPVXVYVRAL-AREMUKBSSA-N 0 0 481.597 1.900 50 0 JDAARN C[C@@H](CCc1ccccc1)NC(=O)COn1nnc2ccc(S(=O)(=O)N3CCOCC3)cc21 ZINC000020887603 195236456 /nfs/dbraw/zinc/23/64/56/195236456.db2.gz XMJRPIJJRVYJMH-KRWDZBQOSA-N 0 0 473.555 1.018 50 0 JDAARN O=C(Cn1nnc(-c2ccc(C(F)(F)F)cc2)n1)NCCOc1nnnn1-c1ccccc1 ZINC000020890547 195236961 /nfs/dbraw/zinc/23/69/61/195236961.db2.gz DTDUPVSDCCXNGU-UHFFFAOYSA-N 0 0 459.392 1.530 50 0 JDAARN 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/nfs/dbraw/zinc/27/08/86/195270886.db2.gz BWDRLIBNUVRWCY-UHFFFAOYSA-N 0 0 472.553 1.982 50 0 JDAARN O=C([C@@H]1CCCN(c2nnc(N3CCCC3=O)s2)C1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000021026476 195268998 /nfs/dbraw/zinc/26/89/98/195268998.db2.gz GHEHQNIXYDWXPC-GOSISDBHSA-N 0 0 498.609 1.954 50 0 JDAARN COc1ccc(NC(=O)CCn2nc(C)c(S(=O)(=O)N3CCOCC3)c2C)c(OC)c1 ZINC000021029612 195269307 /nfs/dbraw/zinc/26/93/07/195269307.db2.gz NLBXWGBBABGSPD-UHFFFAOYSA-N 0 0 452.533 1.567 50 0 JDAARN Cc1nn(CCC(=O)N2CCN(c3cccc(C)c3C)CC2)c(C)c1S(=O)(=O)N1CCOCC1 ZINC000021029754 195269330 /nfs/dbraw/zinc/26/93/30/195269330.db2.gz CVLLDRRYAARAKI-UHFFFAOYSA-N 0 0 489.642 1.877 50 0 JDAARN Cc1nn(CCC(=O)N2CCN(c3cccc(C)c3)[C@@H](C)C2)c(C)c1S(=O)(=O)N1CCOCC1 ZINC000021029816 195269358 /nfs/dbraw/zinc/26/93/58/195269358.db2.gz PNHOTABGQGQLOB-IBGZPJMESA-N 0 0 489.642 1.957 50 0 JDAARN Cc1nn(CCC(=O)Nc2ccc3c(c2)OCCO3)c(C)c1S(=O)(=O)N1CCOCC1 ZINC000021029941 195269730 /nfs/dbraw/zinc/26/97/30/195269730.db2.gz 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/nfs/dbraw/zinc/29/70/42/195297042.db2.gz LBYAZDGOQVNLGQ-SFHVURJKSA-N 0 0 459.572 1.406 50 0 JDAARN CCSc1nnc(-c2nn(C)c3c2CN(S(=O)(=O)c2c(C)nn(C)c2C)CC3)n1C ZINC000021362437 195299521 /nfs/dbraw/zinc/29/95/21/195299521.db2.gz YIXPTZAASXBWTF-UHFFFAOYSA-N 0 0 450.594 1.425 50 0 JDAARN CCOC(=O)c1sc(NC(=O)COC(=O)CN2CSCC2=O)c(C(=O)OCC)c1C ZINC000021370620 195300466 /nfs/dbraw/zinc/30/04/66/195300466.db2.gz BGLLGBVLGKUPAY-UHFFFAOYSA-N 0 0 458.514 1.425 50 0 JDAARN CCc1ccccc1NC(=O)CN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 ZINC000021391232 195300613 /nfs/dbraw/zinc/30/06/13/195300613.db2.gz MGGYQFTTZFRBJG-UHFFFAOYSA-N 0 0 473.599 1.426 50 0 JDAARN CCNS(=O)(=O)c1ccc(C)c(C(=O)OCC(=O)N(c2ccccc2)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000021467023 195302325 /nfs/dbraw/zinc/30/23/25/195302325.db2.gz JBYRIRVSWRMDCE-GOSISDBHSA-N 0 0 494.591 1.670 50 0 JDAARN O=C(COC(=O)c1ccc(-n2cccn2)cc1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000021470770 195302503 /nfs/dbraw/zinc/30/25/03/195302503.db2.gz GWBMGCSWMOJTTR-UHFFFAOYSA-N 0 0 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COCCCN1C(=O)CN(S(=O)(=O)c2ccc(C)cc2)C[C@@]1(C)C(=O)NCc1ccccc1 ZINC000021528589 195307009 /nfs/dbraw/zinc/30/70/09/195307009.db2.gz JPZHYFSJSKEJNI-DEOSSOPVSA-N 0 0 473.595 1.940 50 0 JDAARN COc1ccc(CCN2C(=O)CN(S(C)(=O)=O)C[C@@]2(C)C(=O)NCc2ccccc2)cc1OC ZINC000021528751 195307142 /nfs/dbraw/zinc/30/71/42/195307142.db2.gz IJNQMXXKFFJKCV-DEOSSOPVSA-N 0 0 489.594 1.425 50 0 JDAARN CCS(=O)(=O)N1CC(=O)N(Cc2ccccc2OC)[C@@](C)(C(=O)NCc2ccc(F)cc2)C1 ZINC000021528914 195307408 /nfs/dbraw/zinc/30/74/08/195307408.db2.gz SLXRYMYSYJKAIL-HSZRJFAPSA-N 0 0 477.558 1.903 50 0 JDAARN CCOc1ccc(CN2C(=O)CN(S(C)(=O)=O)C[C@]2(C)C(=O)NCc2ccccc2)cc1 ZINC000021528830 195307426 /nfs/dbraw/zinc/30/74/26/195307426.db2.gz XUYQWONSWBNNRF-HSZRJFAPSA-N 0 0 459.568 1.764 50 0 JDAARN CCOc1ccc(CCN2C(=O)CN(S(C)(=O)=O)C[C@]2(C)C(=O)NCc2ccccc2)cc1 ZINC000021528834 195307507 /nfs/dbraw/zinc/30/75/07/195307507.db2.gz MSELSGJZEMFJRH-XMMPIXPASA-N 0 0 473.595 1.807 50 0 JDAARN 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Cc1ccc(S(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)OCC(=O)N(C)Cc2ccsc2)cc1C ZINC000039983553 525558562 /nfs/dbraw/zinc/55/85/62/525558562.db2.gz SYITVTDEZDZYQZ-IEBWSBKVSA-N 0 0 466.581 1.691 50 0 JDAARN CSCC[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)C(=O)N1CCN(C(C)=O)CC1 ZINC000033023647 525594826 /nfs/dbraw/zinc/59/48/26/525594826.db2.gz PYUKPDVRPQVZAV-INIZCTEOSA-N 0 0 451.973 1.570 50 0 JDAARN CSCC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)OCC(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000013149686 525595699 /nfs/dbraw/zinc/59/56/99/525595699.db2.gz ISQJNZIFFMHYEP-HNNXBMFYSA-N 0 0 496.538 1.983 50 0 JDAARN Cc1cc2c(cc1S(=O)(=O)CCC(=O)N1CCN(Cc3ccccc3)CC1)OCC(=O)N2 ZINC000020510141 525612084 /nfs/dbraw/zinc/61/20/84/525612084.db2.gz KLRHQLFXJKFVGT-UHFFFAOYSA-N 0 0 457.552 1.834 50 0 JDAARN Cc1ccn2cc(C(=O)N3CCN(c4ccc(S(=O)(=O)N5CCOCC5)cn4)CC3)nc2c1 ZINC000024962620 525615222 /nfs/dbraw/zinc/61/52/22/525615222.db2.gz FXDSDNDKAVBUPW-UHFFFAOYSA-N 0 0 470.555 1.021 50 0 JDAARN Cc1ccc(S(=O)(=O)c2nc(S(C)(=O)=O)sc2N[C@H]2CCS(=O)(=O)C2)cc1 ZINC000008884063 525633820 /nfs/dbraw/zinc/63/38/20/525633820.db2.gz NAWXBFYTIXRNAI-NSHDSACASA-N 0 0 450.585 1.287 50 0 JDAARN Cc1ccc(-c2cc(C(=O)N(C)[C@@H]3CCS(=O)(=O)C3)nn2[C@H]2CCS(=O)(=O)C2)cc1C ZINC000033325723 525715790 /nfs/dbraw/zinc/71/57/90/525715790.db2.gz VJUQNKNRKCPLQC-MSOLQXFVSA-N 0 0 465.597 1.786 50 0 JDAARN COc1cccc(-n2nc(C(=O)NCc3cccnc3)c(=O)n(Cc3ccc(F)cc3)c2=O)c1 ZINC000036087692 525755077 /nfs/dbraw/zinc/75/50/77/525755077.db2.gz NUBGCQXHOUBYAN-UHFFFAOYSA-N 0 0 461.453 1.915 50 0 JDAARN Cc1ccc([C@@H](CNC(=O)c2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)N2CCOCC2)o1 ZINC000025399565 525761392 /nfs/dbraw/zinc/76/13/92/525761392.db2.gz CLCYGGUXVULAGY-PZJWPPBQSA-N 0 0 477.583 1.849 50 0 JDAARN Cc1ccc(-c2cn3c(nc4c3c(=O)n(C)c(=O)n4C)n2-c2ccc(S(N)(=O)=O)cc2)cc1 ZINC000012461996 525768871 /nfs/dbraw/zinc/76/88/71/525768871.db2.gz JHYWGWMHVYKFHV-UHFFFAOYSA-N 0 0 464.507 1.298 50 0 JDAARN Cc1ccnn1-c1ccc(C(=O)Nc2ccc(S(=O)(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)cc1 ZINC000013164131 525770860 /nfs/dbraw/zinc/77/08/60/525770860.db2.gz BXJGCKZKBDZDHA-GOSISDBHSA-N 0 0 474.564 1.898 50 0 JDAARN C[C@@]1(C(=O)NCc2ccccc2)Cn2cnc(C(=O)NCc3cccnc3)c2C(=O)N1C1CC1 ZINC000064953738 525803622 /nfs/dbraw/zinc/80/36/22/525803622.db2.gz WBSYGNQZKPLCOP-VWLOTQADSA-N 0 0 458.522 1.901 50 0 JDAARN C[C@@]1(C2CC2)NC(=O)N(CN2CCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)C1=O ZINC000023731685 525824349 /nfs/dbraw/zinc/82/43/49/525824349.db2.gz XCFQVHXSWUQVEZ-SFHVURJKSA-N 0 0 476.477 1.570 50 0 JDAARN COc1cccc(C(=O)N[C@H](C(=O)N2CCOCC2)C2CCN(C(=O)c3ccco3)CC2)c1 ZINC000036211267 525826817 /nfs/dbraw/zinc/82/68/17/525826817.db2.gz DMUVIVFKWAOCLK-NRFANRHFSA-N 0 0 455.511 1.798 50 0 JDAARN C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)CSc2nnnn2-c2ccc(O)cc2)C1=O ZINC000014124557 525828690 /nfs/dbraw/zinc/82/86/90/525828690.db2.gz SQMBWTRURHDVBW-NRFANRHFSA-N 0 0 467.511 1.435 50 0 JDAARN Cc1ccc(-c2ncc3c(=O)n(CC(=O)NCc4ccc5c(c4)OCO5)c(=O)n(C)c3n2)cc1 ZINC000065057196 525832326 /nfs/dbraw/zinc/83/23/26/525832326.db2.gz AIQOUGSUUOUXJF-UHFFFAOYSA-N 0 0 459.462 1.511 50 0 JDAARN COc1cccc(C(=O)Nc2nc3c(s2)C(=O)C[C@H](C(=O)N[C@H]2CCCCNC2=O)C3)c1 ZINC000012218023 525838889 /nfs/dbraw/zinc/83/88/89/525838889.db2.gz FTTXLGKQIZHPTO-HIFRSBDPSA-N 0 0 456.524 1.934 50 0 JDAARN COc1cccc(C2=NC3(CCN(S(=O)(=O)c4cc(OC)ccc4OC)CC3)NC2=O)c1 ZINC000064965731 525857184 /nfs/dbraw/zinc/85/71/84/525857184.db2.gz MUMGQHHPHFNEPO-UHFFFAOYSA-N 0 0 459.524 1.812 50 0 JDAARN COc1cccc(C2=NS(=O)(=O)N(C)C(C(=O)NCCc3ccc(OC)c(OC)c3)=C2)c1 ZINC000020467480 525859026 /nfs/dbraw/zinc/85/90/26/525859026.db2.gz DNDSFNPKMNPPHI-UHFFFAOYSA-N 0 0 459.524 1.935 50 0 biogenic JDAARN Cc1c(S(=O)(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c(=O)n(C)c(=O)n1C ZINC000022610844 525885288 /nfs/dbraw/zinc/88/52/88/525885288.db2.gz NYAJPHZEEQSFQX-UHFFFAOYSA-N 0 0 468.579 1.488 50 0 JDAARN C[C@@H](OC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000016412460 525886007 /nfs/dbraw/zinc/88/60/07/525886007.db2.gz WQRVBFZSOGYAJX-CJNGLKHVSA-N 0 0 477.505 1.894 50 0 JDAARN C[C@H](OC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1)C(=O)N1CCCCCC1 ZINC000008725772 525889514 /nfs/dbraw/zinc/88/95/14/525889514.db2.gz XAPVUKPRBRXIMV-KRWDZBQOSA-N 0 0 467.588 1.721 50 0 JDAARN C[C@@H](OC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000012520323 525890131 /nfs/dbraw/zinc/89/01/31/525890131.db2.gz MEVIYJOTLZNFKT-WDEREUQCSA-N 0 0 482.324 1.550 50 0 JDAARN C[C@@]1(c2ccc3c(c2)OCO3)NC(=O)N(CC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)C1=O ZINC000013164746 525891274 /nfs/dbraw/zinc/89/12/74/525891274.db2.gz FMKNLMOOEKMAOT-ZHRRBRCNSA-N 0 0 477.539 1.141 50 0 JDAARN C[C@@H](OC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000014239580 525892465 /nfs/dbraw/zinc/89/24/65/525892465.db2.gz ZGJOCBLFKMIPML-LLVKDONJSA-N 0 0 453.904 1.873 50 0 JDAARN C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)N2CCN(CC(=O)N3CCCCC3)CC2)C1=O ZINC000035344139 525894585 /nfs/dbraw/zinc/89/45/85/525894585.db2.gz QGMGGPMMDJKUHQ-MHZLTWQESA-N 0 0 491.592 1.764 50 0 JDAARN C[C@@H](OC(=O)c1cccc(NS(C)(=O)=O)c1)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000014672051 525896941 /nfs/dbraw/zinc/89/69/41/525896941.db2.gz ZATPVBCZJMAVHB-MRXNPFEDSA-N 0 0 495.579 1.137 50 0 JDAARN Cc1ccc(-n2nc(-c3noc(C(=O)N4CC[C@@H](c5ccccc5)C4)n3)c(=O)n(C)c2=O)cc1 ZINC000045946735 525922770 /nfs/dbraw/zinc/92/27/70/525922770.db2.gz OPCYETJDPVFJMX-QGZVFWFLSA-N 0 0 458.478 1.919 50 0 JDAARN Cc1ccc(-n2nc(C(=O)N3CCN(C)CC3)c(=O)n(Cc3ccccc3F)c2=O)cc1C ZINC000036086291 525924138 /nfs/dbraw/zinc/92/41/38/525924138.db2.gz HAQJKVAJZOQZJH-UHFFFAOYSA-N 0 0 451.502 1.586 50 0 JDAARN Cc1ccc(-n2nc(-c3noc(C(=O)NCCc4ccc(Cl)cc4)n3)c(=O)n(C)c2=O)cc1 ZINC000045946658 525924750 /nfs/dbraw/zinc/92/47/50/525924750.db2.gz FOBPJTCMNKDPSL-UHFFFAOYSA-N 0 0 466.885 1.916 50 0 JDAARN Cc1ccc(-n2nnc3c2ncnc3N2CCN(C(=O)CN3C(=O)c4ccccc4C3=O)CC2)cc1 ZINC000012310235 525934395 /nfs/dbraw/zinc/93/43/95/525934395.db2.gz MANDSTIABAWEFS-UHFFFAOYSA-N 0 0 482.504 1.464 50 0 JDAARN COc1cccc(CN2CCc3c(C(=O)NCCCn4ccnc4)c(OC)cc(=O)n3CC2)c1OC ZINC000014985324 525953976 /nfs/dbraw/zinc/95/39/76/525953976.db2.gz IZEUUNFSDFJHFS-UHFFFAOYSA-N 0 0 495.580 1.949 50 0 JDAARN Cc1ccc([C@H](CNS(=O)(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2)N2CCOCC2)cc1 ZINC000019796390 525959234 /nfs/dbraw/zinc/95/92/34/525959234.db2.gz ZVGWYEOFCOIUKF-NRFANRHFSA-N 0 0 493.607 1.413 50 0 JDAARN COc1cccc(CNC(=O)CN2c3cc(S(=O)(=O)N(C)C)ccc3N3CCCC[C@@H]3C2=O)c1 ZINC000064966379 525970183 /nfs/dbraw/zinc/97/01/83/525970183.db2.gz OXMFTDCXANNXNH-OAQYLSRUSA-N 0 0 486.594 1.967 50 0 JDAARN COc1cccc(CNC(=O)CN2c3ccc(S(=O)(=O)N4CCOCC4)cc3CCCC2=O)c1 ZINC000065078911 525970864 /nfs/dbraw/zinc/97/08/64/525970864.db2.gz FVYQHJFZKHMXRH-UHFFFAOYSA-N 0 0 487.578 1.702 50 0 JDAARN COc1cccc(CNC(=O)Cn2c3cn(C)nc3c(=O)n(Cc3ccc(F)cc3)c2=O)c1OC ZINC000021713936 525977764 /nfs/dbraw/zinc/97/77/64/525977764.db2.gz OCUYWANMOIXRPF-UHFFFAOYSA-N 0 0 481.484 1.418 50 0 JDAARN COc1cccc(CNC(=O)c2c(OC)cc(=O)n3c2CCN(C(=O)[C@@H](C)CC(C)=O)CC3)c1 ZINC000014883763 526003169 /nfs/dbraw/zinc/00/31/69/526003169.db2.gz ASZUKLADQISBDS-INIZCTEOSA-N 0 0 469.538 1.795 50 0 JDAARN C[C@H](Sc1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1-c1ccc(F)cc1)C(=O)NC(N)=O ZINC000002618044 526008270 /nfs/dbraw/zinc/00/82/70/526008270.db2.gz ALINGPGPTVXDGX-LBPRGKRZSA-N 0 0 492.558 1.999 50 0 JDAARN C[C@H](Sc1nnc(C[C@@H]2CCS(=O)(=O)C2)n1C)C(=O)Nc1sc2c(c1C(N)=O)CCC2 ZINC000014200790 526012422 /nfs/dbraw/zinc/01/24/22/526012422.db2.gz RYDZKAZFJVDANY-QWRGUYRKSA-N 0 0 483.641 1.561 50 0 JDAARN C[C@H](C(=O)NC(=O)NC1CCCCC1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 ZINC000036384821 526013249 /nfs/dbraw/zinc/01/32/49/526013249.db2.gz HYPRFXDYZFMKQS-QGZVFWFLSA-N 0 0 494.614 1.701 50 0 JDAARN COc1cccc(CNS(=O)(=O)c2ccc3c(c2)CCN3C(=O)CCC(=O)N2CCOCC2)c1 ZINC000035399092 526029351 /nfs/dbraw/zinc/02/93/51/526029351.db2.gz UEFYBIKRYGDYDB-UHFFFAOYSA-N 0 0 487.578 1.702 50 0 JDAARN C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N1CCN(Cc2nc3ccccc3s2)CC1 ZINC000022799638 526055572 /nfs/dbraw/zinc/05/55/72/526055572.db2.gz AKBCYSKBYNCADS-QGZVFWFLSA-N 0 0 487.651 1.809 50 0 JDAARN COc1cccc(Cn2c(=O)c(C(=O)NC[C@@H]3CCCO3)nn(-c3ccc(OC)c(OC)c3)c2=O)c1 ZINC000036088297 526106319 /nfs/dbraw/zinc/10/63/19/526106319.db2.gz RABRRXMVJLJXTD-IBGZPJMESA-N 0 0 496.520 1.377 50 0 JDAARN COc1cccc(Cn2c(=O)c(C(=O)NCc3ccccn3)nn(-c3ccccc3F)c2=O)c1 ZINC000036085353 526106455 /nfs/dbraw/zinc/10/64/55/526106455.db2.gz CNHSHHUCPKCBJX-UHFFFAOYSA-N 0 0 461.453 1.915 50 0 JDAARN COc1cccc(Cn2c(=O)c(C(=O)NCc3ccco3)nn(-c3ccc(OC)c(OC)c3)c2=O)c1 ZINC000036088277 526106610 /nfs/dbraw/zinc/10/66/10/526106610.db2.gz DRFAHJYOWUKCOD-UHFFFAOYSA-N 0 0 492.488 1.991 50 0 JDAARN COc1cccc(Cn2c(=O)c(C(=O)NC[C@H]3CCCO3)nn(-c3ccc(C)cc3)c2=O)c1 ZINC000036086737 526106837 /nfs/dbraw/zinc/10/68/37/526106837.db2.gz BQFZFLFMCNZANV-HXUWFJFHSA-N 0 0 450.495 1.668 50 0 JDAARN 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/nfs/dbraw/zinc/99/54/74/553995474.db2.gz VNWRXVGYDXQIIC-QFIPXVFZSA-N 0 0 488.422 1.993 50 0 JDAARN COc1ccc(C(=O)N[C@@]2(C(F)(F)F)C(=O)Nc3c2c(=O)[nH]c(=O)n3-c2ccc(F)cc2)cc1 ZINC000001866624 553999176 /nfs/dbraw/zinc/99/91/76/553999176.db2.gz PSKXNMWMOKCEEK-HXUWFJFHSA-N 0 0 478.358 1.813 50 0 JDAARN NS(=O)(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)NC3CCCCC3)cc2)cc1 ZINC000002093881 554037644 /nfs/dbraw/zinc/03/76/44/554037644.db2.gz LIRQWHPDOXRENI-UHFFFAOYSA-N 0 0 467.569 1.963 50 0 JDAARN COc1cc(CNC(=O)CCC(=O)N2C[C@H]3C[C@H](C2)c2cccc(=O)n2C3)cc(OC)c1OC ZINC000002124004 554057743 /nfs/dbraw/zinc/05/77/43/554057743.db2.gz YHRKPNJHVKKMIB-QZTJIDSGSA-N 0 0 469.538 1.916 50 0 biogenic JDAARN CCOC(=O)c1ccc(NC(=O)[C@H](C)NC(=O)[C@@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@H]32)cc1 ZINC000002133784 554061174 /nfs/dbraw/zinc/06/11/74/554061174.db2.gz QYQWWRVZUNYMAM-UBMONXIWSA-N 0 0 492.525 1.703 50 0 biogenic JDAARN O=C(N[C@@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2-c1ccc(Cl)cc1)c1cccnc1 ZINC000002192458 554087782 /nfs/dbraw/zinc/08/77/82/554087782.db2.gz SEFBCGSXMBKAHO-GOSISDBHSA-N 0 0 465.775 1.714 50 0 JDAARN CCOC(=O)C1=C(N)n2c(=O)/c(=C/c3ccccc3)sc2=C(C(=O)OC)[C@@H]1c1ccccc1 ZINC000002217390 554098888 /nfs/dbraw/zinc/09/88/88/554098888.db2.gz GMOKCPGPVVFXRR-HGLWPWQMSA-N 0 0 462.527 1.550 50 0 JDAARN CN1C(=O)[C@H](CC(=O)Nc2ccccc2F)N(CCc2ccc(S(N)(=O)=O)cc2)C1=S ZINC000002222940 554101898 /nfs/dbraw/zinc/10/18/98/554101898.db2.gz AYMMGSGARPOIPZ-KRWDZBQOSA-N 0 0 464.544 1.472 50 0 JDAARN CC(C)[C@@H]1Cc2c(sc3c2-c2nnc(SCC(N)=O)n2-c2nnc(SCC(N)=O)n2-3)CO1 ZINC000002239594 554109037 /nfs/dbraw/zinc/10/90/37/554109037.db2.gz YDMMJYOJTDSDCA-VIFPVBQESA-N 0 0 492.612 1.142 50 0 JDAARN CCCCOc1ccc(-c2nc3s/c(=C4/c5ccccc5N(CC(N)=O)C4=O)c(=O)n3n2)cc1 ZINC000002258320 554120430 /nfs/dbraw/zinc/12/04/30/554120430.db2.gz HRCLKGZXXPFISN-VXPUYCOJSA-N 0 0 475.530 1.747 50 0 JDAARN CCOC(=O)c1ccc(N2CN=c3s/c(=C4\C(=O)Nc5ccc(OCC)cc54)c(=O)n3C2)cc1 ZINC000002261266 554122095 /nfs/dbraw/zinc/12/20/95/554122095.db2.gz PQMJDIWFYZVIJZ-VXPUYCOJSA-N 0 0 478.530 1.691 50 0 JDAARN COc1ccc(Cc2nn3c(nc2=O)s/c(=C\c2cc(OC)c(OC)c(OC)c2)c3=O)cc1OC ZINC000002263125 554122970 /nfs/dbraw/zinc/12/29/70/554122970.db2.gz WIENRQGBGBYTJN-NDENLUEZSA-N 0 0 497.529 1.693 50 0 JDAARN Cn1c2nc(CN3CCC(C(N)=O)CC3)n(Cc3cccc4ccccc43)c2c(=O)n(C)c1=O ZINC000002325471 554149107 /nfs/dbraw/zinc/14/91/07/554149107.db2.gz AGRUVBABUULJMP-UHFFFAOYSA-N 0 0 460.538 1.333 50 0 JDAARN COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)cc1 ZINC000002341099 554155992 /nfs/dbraw/zinc/15/59/92/554155992.db2.gz NWCQKCKDFRDIKY-UHFFFAOYSA-N 0 0 450.513 1.868 50 0 JDAARN COCCN1C(=O)/C(=C\c2c(=O)n3cc(C)ccc3nc2N2CCN(C)CC2)SC1=S ZINC000002369041 554169337 /nfs/dbraw/zinc/16/93/37/554169337.db2.gz WGPOWVQUTAOCNP-FOWTUZBSSA-N 0 0 459.597 1.602 50 0 JDAARN COc1cc(-c2nnc(SCC(=O)Nc3ccc(C(N)=O)cc3)n2N)cc(OC)c1OC ZINC000002389477 554179051 /nfs/dbraw/zinc/17/90/51/554179051.db2.gz AJYZDVIVLFJDSN-UHFFFAOYSA-N 0 0 458.500 1.514 50 0 JDAARN COc1ccc(OC[C@H](O)Cn2c(Nc3cccc(C)c3)nc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000002421967 554198727 /nfs/dbraw/zinc/19/87/27/554198727.db2.gz LVUWOYOPMGLSJX-QGZVFWFLSA-N 0 0 465.510 1.934 50 0 JDAARN CCOC(=O)C1=C(N)OC(C)=C(C(=O)OC(C)C)[C@@]12c1ccccc1N(CC(=O)OC)C2=O ZINC000002482372 554226058 /nfs/dbraw/zinc/22/60/58/554226058.db2.gz JAXXZBSLHJUAAW-QHCPKHFHSA-N 0 0 458.467 1.433 50 0 JDAARN Cc1cccc2nc(Cn3c4ccccc4c(=O)n(CCC(=O)NCc4ccco4)c3=O)cc(=O)n12 ZINC000002498514 554228901 /nfs/dbraw/zinc/22/89/01/554228901.db2.gz CRGRGDYDYNFFGP-UHFFFAOYSA-N 0 0 485.500 1.827 50 0 JDAARN O=C(CNS(=O)(=O)c1ccccc1)NCC(=O)OCC(=O)c1ccc(Cl)c(Cl)c1 ZINC000002593057 554239081 /nfs/dbraw/zinc/23/90/81/554239081.db2.gz AAUAAXQRALPUHC-UHFFFAOYSA-N 0 0 459.307 1.814 50 0 JDAARN O=C(CSc1nnc2[nH]c3ccccc3n21)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000002616717 554241600 /nfs/dbraw/zinc/24/16/00/554241600.db2.gz QIRUUFBEQPEQCH-UHFFFAOYSA-N 0 0 456.553 1.836 50 0 JDAARN COc1ccc(C(=O)N2CCc3cc(OC)c(OC)cc3C2)cc1S(=O)(=O)N1CCOCC1 ZINC000002619455 554244295 /nfs/dbraw/zinc/24/42/95/554244295.db2.gz ZVNCLJVBQWOEGU-UHFFFAOYSA-N 0 0 476.551 1.932 50 0 JDAARN CCN(C(=O)COC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000002642806 554261234 /nfs/dbraw/zinc/26/12/34/554261234.db2.gz HOTLYXHKNGRNLG-NQIIRXRSSA-N 0 0 498.557 1.473 50 0 JDAARN CCCNC(=O)NC(=O)COC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000002651721 554267734 /nfs/dbraw/zinc/26/77/34/554267734.db2.gz DRSWHBMDQKQSJG-UHFFFAOYSA-N 0 0 477.495 1.651 50 0 JDAARN O=C(COC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc2c(c1)NC(=O)CO2 ZINC000002653434 554269343 /nfs/dbraw/zinc/26/93/43/554269343.db2.gz URTPUJNLFAPXLT-UHFFFAOYSA-N 0 0 460.464 1.078 50 0 JDAARN Cn1c2ncn(CC(=O)N[C@@H](Cc3ccccc3)c3nc4ccccc4[nH]3)c2c(=O)n(C)c1=O ZINC000002657310 554272404 /nfs/dbraw/zinc/27/24/04/554272404.db2.gz HMZZMRQBTQMCDE-SFHVURJKSA-N 0 0 457.494 1.410 50 0 JDAARN CCSc1nnc(NC(=O)Cc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)s1 ZINC000002661859 554275309 /nfs/dbraw/zinc/27/53/09/554275309.db2.gz UVCPMERHEORWIS-UHFFFAOYSA-N 0 0 458.587 1.861 50 0 JDAARN CCN(C(=O)CN1C(=O)N[C@](C)(c2ccc(Cl)cc2Cl)C1=O)[C@H]1CCS(=O)(=O)C1 ZINC000002662180 554275596 /nfs/dbraw/zinc/27/55/96/554275596.db2.gz QBXYZBMOLGFNHT-KPZWWZAWSA-N 0 0 462.355 1.796 50 0 JDAARN CC[C@H](C)n1c(S[C@H](C)C(=O)NC(N)=O)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000002665154 554278267 /nfs/dbraw/zinc/27/82/67/554278267.db2.gz HNMALRLLDYUYHB-UONOGXRCSA-N 0 0 496.615 1.613 50 0 JDAARN COc1ccc(NC(=O)C[C@@H]2C(=O)N(C)C(=S)N2CCc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000002729378 554314084 /nfs/dbraw/zinc/31/40/84/554314084.db2.gz ZNYPWDHTNAAPAH-GOSISDBHSA-N 0 0 476.580 1.341 50 0 JDAARN Cc1cc(C)n(Cn2nc(C)c(NC(=O)[C@H]3CCCN(S(=O)(=O)c4cnn(C)c4C)C3)c2C)n1 ZINC000002732406 554316448 /nfs/dbraw/zinc/31/64/48/554316448.db2.gz BYEAWUJWLCZXMZ-IBGZPJMESA-N 0 0 488.618 1.900 50 0 JDAARN Cc1nn(CCCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3cnn(C)c3C)C2)c(C)c1Cl ZINC000002732572 554316649 /nfs/dbraw/zinc/31/66/49/554316649.db2.gz OLWYRXRKXYIAPZ-MRXNPFEDSA-N 0 0 457.000 1.802 50 0 JDAARN Cc1nn(CCCNC(=O)[C@H]2CCCN(S(=O)(=O)c3cnn(C)c3C)C2)c(C)c1Cl ZINC000002732571 554316685 /nfs/dbraw/zinc/31/66/85/554316685.db2.gz OLWYRXRKXYIAPZ-INIZCTEOSA-N 0 0 457.000 1.802 50 0 JDAARN Cc1nn(CCCNC(=O)[C@H]2CCCN(S(=O)(=O)c3cnn(C)c3C)C2)cc1Br ZINC000002732829 554316963 /nfs/dbraw/zinc/31/69/63/554316963.db2.gz NAQUYEBSKPRGNJ-HNNXBMFYSA-N 0 0 487.424 1.603 50 0 JDAARN CCn1ncc(Br)c1C(=O)N[C@H]1C(=O)N2C(C(=O)NCC(C)C)=C(C)CS[C@@H]12 ZINC000002784466 554343528 /nfs/dbraw/zinc/34/35/28/554343528.db2.gz LUXCYVQDBQAZHO-SGTLLEGYSA-N 0 0 470.393 1.725 50 0 JDAARN CCn1cc(Br)c(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3cnn(C)c3)C2)n1 ZINC000002806267 554356796 /nfs/dbraw/zinc/35/67/96/554356796.db2.gz BIJRNZTYYDQXCH-LBPRGKRZSA-N 0 0 459.370 1.116 50 0 JDAARN Cc1nn(-c2ccccc2)c(C)c1CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cnn(C)c2)C1 ZINC000002807947 554357859 /nfs/dbraw/zinc/35/78/59/554357859.db2.gz KKYMZYGIDBFTEJ-GOSISDBHSA-N 0 0 456.572 1.940 50 0 JDAARN Cn1cc(S(=O)(=O)N2CCC[C@H](c3nc4c5cnn(-c6ccccc6)c5ncn4n3)C2)cn1 ZINC000002809317 554359355 /nfs/dbraw/zinc/35/93/55/554359355.db2.gz CKNKELGNIARHNB-HNNXBMFYSA-N 0 0 463.527 1.765 50 0 JDAARN CCn1cc(S(=O)(=O)N2CCN(C(=O)CCS(=O)(=O)c3ccc(C)cc3)CC2)c(C)n1 ZINC000002809494 554359554 /nfs/dbraw/zinc/35/95/54/554359554.db2.gz JTSLNRORMWZIDU-UHFFFAOYSA-N 0 0 468.601 1.217 50 0 JDAARN COc1ccccc1C(=O)N[C@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 ZINC000002868973 554394512 /nfs/dbraw/zinc/39/45/12/554394512.db2.gz QPJOXZGQPCZUIP-NRFANRHFSA-N 0 0 474.395 1.733 50 0 JDAARN O=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)OCC(=O)N1CCc2ccccc21 ZINC000003227918 554433794 /nfs/dbraw/zinc/43/37/94/554433794.db2.gz IPFGKKVUPFOEJX-UHFFFAOYSA-N 0 0 450.538 1.444 50 0 JDAARN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCc1ccc(S(N)(=O)=O)cc1 ZINC000003227780 554433843 /nfs/dbraw/zinc/43/38/43/554433843.db2.gz YBWCBHNDFOPUGF-UHFFFAOYSA-N 0 0 451.570 1.747 50 0 JDAARN O=C(COC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)NCc1ccc(F)cc1 ZINC000003228337 554434050 /nfs/dbraw/zinc/43/40/50/554434050.db2.gz OMQDESQMZANCSW-UHFFFAOYSA-N 0 0 454.451 1.459 50 0 JDAARN COCCn1c(=O)[nH]c2cc(C(=O)N3CCN(c4ccc(C(C)=O)cc4)CC3)ccc2c1=O ZINC000004766418 554479401 /nfs/dbraw/zinc/47/94/01/554479401.db2.gz KAHKTMSFPDPQTK-UHFFFAOYSA-N 0 0 450.495 1.501 50 0 JDAARN CC(C)(C)n1nc2c(c1NC(=O)c1ccc(S(=O)(=O)N3CCOCC3)cc1)C[S@@](=O)C2 ZINC000006184166 554516271 /nfs/dbraw/zinc/51/62/71/554516271.db2.gz ZWBYNRFZIDHCFU-PMERELPUSA-N 0 0 466.585 1.674 50 0 JDAARN O=C(Nc1c2c(nn1-c1ccccc1)C[S@@](=O)C2)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000006184167 554516353 /nfs/dbraw/zinc/51/63/53/554516353.db2.gz STJUEKOBTSDGFV-JGCGQSQUSA-N 0 0 486.575 1.908 50 0 JDAARN CCOC(=O)[C@H](C)Oc1cccc2c1ccn(CC(=O)N1CCN(C(=O)OCC)CC1)c2=O ZINC000006529858 554548867 /nfs/dbraw/zinc/54/88/67/554548867.db2.gz DMIMJLSBGBBFPJ-INIZCTEOSA-N 0 0 459.499 1.633 50 0 JDAARN CCc1nc(SCC(=O)NCCc2ccc(OC)c(OC)c2)c2c(=O)n(C)c(=O)n(C)c2n1 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COc1ccccc1N1C[C@H](C(=O)Nc2nnc(SCC(=O)NC[C@@H]3CCCO3)s2)CC1=O ZINC000008906970 554799949 /nfs/dbraw/zinc/79/99/49/554799949.db2.gz AZKZVHBKORUEBZ-KGLIPLIRSA-N 0 0 491.595 1.926 50 0 JDAARN CCCS(=O)(=O)c1ncc(Cl)c(C(=O)N(Cc2ccco2)[C@@H]2CCS(=O)(=O)C2)n1 ZINC000008915212 554808410 /nfs/dbraw/zinc/80/84/10/554808410.db2.gz DRCZPNISCNSUJP-GFCCVEGCSA-N 0 0 461.949 1.736 50 0 JDAARN COc1ccc(C2(c3ccc(OC)cc3)NC(=O)N(CC(=O)NC[C@H]3CCCO3)C2=O)cc1 ZINC000008920354 554817169 /nfs/dbraw/zinc/81/71/69/554817169.db2.gz VMHUUEAWSQRMFK-HXUWFJFHSA-N 0 0 453.495 1.794 50 0 JDAARN CCN(Cc1ccc2c(c1)OCCO2)C(=O)CN1C(=O)N[C@](C)(c2cccc(-n3cnnn3)c2)C1=O ZINC000008923041 554820217 /nfs/dbraw/zinc/82/02/17/554820217.db2.gz GRVYMHUOYGVELX-XMMPIXPASA-N 0 0 491.508 1.249 50 0 JDAARN CCCC1N=NC(=S)N1CC(=O)N1CCN(S(=O)(=O)c2ccc(OCC)cc2)CC1 ZINC000008924918 554821564 /nfs/dbraw/zinc/82/15/64/554821564.db2.gz ANRCIFKCMXOEBL-UHFFFAOYSA-N 0 0 453.590 1.451 50 0 JDAARN CCCCOC(=O)Cn1c(=O)c2c(nc3n2C[C@@H](O)CN3c2ccc(OCC)cc2)n(C)c1=O ZINC000008926029 554822341 /nfs/dbraw/zinc/82/23/41/554822341.db2.gz AJXBNSTZONWBHF-INIZCTEOSA-N 0 0 471.514 1.151 50 0 JDAARN O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000008936293 554830289 /nfs/dbraw/zinc/83/02/89/554830289.db2.gz AEPISCFOWRTJLY-GOSISDBHSA-N 0 0 455.540 1.770 50 0 JDAARN C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)CN2CCC(n3c4ccccc4[nH]c3=O)CC2)C1=O ZINC000008937032 554830700 /nfs/dbraw/zinc/83/07/00/554830700.db2.gz ACMNSVSSASZYGO-AREMUKBSSA-N 0 0 490.564 1.941 50 0 JDAARN Cc1nc2ncnn2c(C)c1CCC(=O)OCC(=O)Nc1sc2c(c1C(N)=O)CCCC2 ZINC000008939456 554831532 /nfs/dbraw/zinc/83/15/32/554831532.db2.gz ZZIOUVTYNYUYAZ-UHFFFAOYSA-N 0 0 456.528 1.895 50 0 JDAARN C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000008945095 554833264 /nfs/dbraw/zinc/83/32/64/554833264.db2.gz UBYOSQJNZNZWJP-OXQOHEQNSA-N 0 0 459.568 1.990 50 0 JDAARN COc1ccc2[nH]c3c(c2c1)CCN1C(=O)CN(CCc2ccc(S(N)(=O)=O)cc2)C(=O)[C@]31C ZINC000008951837 554834905 /nfs/dbraw/zinc/83/49/05/554834905.db2.gz GMIHBCYRNYLHPT-DEOSSOPVSA-N 0 0 482.562 1.509 50 0 biogenic JDAARN CC(=O)O[C@@H]1CO[C@@H](Oc2ccc3c4c(c(=O)oc3c2)CCC4)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000008952705 554836562 /nfs/dbraw/zinc/83/65/62/554836562.db2.gz RJBASIZMRLVZKT-SRUXOGRHSA-N 0 0 460.435 1.812 50 0 biogenic JDAARN CCN(c1ccc(C(=O)CN2C(=O)N[C@]3(CCOc4ccccc43)C2=O)cc1)S(C)(=O)=O ZINC000008965580 554840345 /nfs/dbraw/zinc/84/03/45/554840345.db2.gz XDZVSANDXZUPGX-QFIPXVFZSA-N 0 0 457.508 1.885 50 0 JDAARN C[C@@]1(c2ccc3c(c2)OCCCO3)NC(=O)N(CC(=O)N2CCN(C(=O)c3ccco3)CC2)C1=O ZINC000008965783 554840996 /nfs/dbraw/zinc/84/09/96/554840996.db2.gz QMKOBRNQHFMXIM-DEOSSOPVSA-N 0 0 482.493 1.193 50 0 JDAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CC(=O)N(c4ccc5c(c4)OCCO5)C3)CC2)cc1 ZINC000008965883 554841266 /nfs/dbraw/zinc/84/12/66/554841266.db2.gz NMSWVHJTMOVODA-GOSISDBHSA-N 0 0 485.562 1.652 50 0 JDAARN C[C@@H]1CCCN(CC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)C1 ZINC000008966244 554842345 /nfs/dbraw/zinc/84/23/45/554842345.db2.gz CVXHRYIMIHGEGQ-GOSISDBHSA-N 0 0 450.605 1.978 50 0 JDAARN C[C@]1(c2ccc3c(c2)OCO3)NC(=O)N(CC(=O)Nc2sc3c(c2C(N)=O)CCC3)C1=O ZINC000008966326 554842567 /nfs/dbraw/zinc/84/25/67/554842567.db2.gz GWQSAHHPBRMWBP-OAQYLSRUSA-N 0 0 456.480 1.470 50 0 JDAARN CCOc1ccc(OCCNC(=O)CN2CCCN(S(=O)(=O)c3c(C)noc3C)CC2)cc1 ZINC000008983210 554847479 /nfs/dbraw/zinc/84/74/79/554847479.db2.gz UWRUXPOKSCLLAG-UHFFFAOYSA-N 0 0 480.587 1.582 50 0 JDAARN CC1CCC2(CC1)NC(=O)N(NC(=O)CSc1nnc(-c3ccccc3Cl)n1N)C2=O ZINC000008982874 554847495 /nfs/dbraw/zinc/84/74/95/554847495.db2.gz BZWZKNDKNDLNQC-UHFFFAOYSA-N 0 0 463.951 1.936 50 0 JDAARN Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)cc1 ZINC000008986975 554849440 /nfs/dbraw/zinc/84/94/40/554849440.db2.gz QLUWAWKMDGAWOY-UHFFFAOYSA-N 0 0 485.559 1.414 50 0 JDAARN O=C(c1ccc(N2CCCS2(=O)=O)cc1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 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CCN(C(=O)CN1C(=O)N[C@@](C)(c2ccccc2Br)C1=O)[C@H]1CCS(=O)(=O)C1 ZINC000014361541 555799904 /nfs/dbraw/zinc/79/99/04/555799904.db2.gz WKFQCNSXNCXPNY-SGTLLEGYSA-N 0 0 472.361 1.252 50 0 JDAARN Cc1cccc(Cn2c(CN3CCN(C(=O)c4ccco4)CC3)nc3c2c(=O)n(C)c(=O)n3C)c1 ZINC000020533434 555804831 /nfs/dbraw/zinc/80/48/31/555804831.db2.gz XMGRWSMIJNTZPQ-UHFFFAOYSA-N 0 0 476.537 1.341 50 0 JDAARN CC(C)OC(=O)C[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C)c1ccccc1 ZINC000014404166 555807186 /nfs/dbraw/zinc/80/71/86/555807186.db2.gz HEUFWDKDPRVEEZ-LJQANCHMSA-N 0 0 463.556 1.859 50 0 JDAARN COCCn1c(N)c(N(Cc2ccccc2)C(=O)c2cccc(S(C)(=O)=O)c2)c(=O)[nH]c1=O ZINC000014506607 555815847 /nfs/dbraw/zinc/81/58/47/555815847.db2.gz HHXKOBMKJJVUGI-UHFFFAOYSA-N 0 0 472.523 1.016 50 0 JDAARN CCOC(=O)c1c(C)[nH]c(C(=O)N(Cc2ccccc2)c2c(N)n(CCOC)c(=O)[nH]c2=O)c1C ZINC000014507312 555815886 /nfs/dbraw/zinc/81/58/86/555815886.db2.gz CNFSYDXGBJCQHC-UHFFFAOYSA-N 0 0 483.525 1.734 50 0 JDAARN CCN(CC)C(=O)CO[C@@H]1CN(C(=O)Cc2cscn2)CC(=O)N(CCc2ccccc2)C1 ZINC000014532911 555820925 /nfs/dbraw/zinc/82/09/25/555820925.db2.gz YNLXNJGBGUJVOU-NRFANRHFSA-N 0 0 472.611 1.853 50 0 JDAARN COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@H]([C@H](C)O)N[C@]32C(=O)Nc3ccccc32)cc1OC ZINC000020567277 555820922 /nfs/dbraw/zinc/82/09/22/555820922.db2.gz KLZCNRCJNIYBSI-KONONBAPSA-N 0 0 465.506 1.048 50 0 JDAARN COc1cc(=O)n2c(c1C(=O)N(C)Cc1nonc1C)CCN(C(=O)Cc1ccccc1F)CC2 ZINC000011788064 555822275 /nfs/dbraw/zinc/82/22/75/555822275.db2.gz IPUGSUUKWFNEHQ-UHFFFAOYSA-N 0 0 483.500 1.587 50 0 JDAARN Cc1nc(CC(=O)N2CC(=O)N(Cc3cnn(C)c3)C[C@H](OCc3cccnc3)C2)cs1 ZINC000014533902 555822305 /nfs/dbraw/zinc/82/23/05/555822305.db2.gz JPZJYYAPZWJQFG-FQEVSTJZSA-N 0 0 454.556 1.579 50 0 JDAARN CCCc1cc(CN(C)C(=O)COc2ccc(N3CCN(c4ccccn4)CC3)nn2)[nH]n1 ZINC000011788161 555822403 /nfs/dbraw/zinc/82/24/03/555822403.db2.gz HXXREZPDFHDQHM-UHFFFAOYSA-N 0 0 450.547 1.911 50 0 JDAARN C[C@H]1CCc2c(sc(NC(=O)CN3CCN(S(=O)(=O)c4ccccc4)CC3)c2C(N)=O)C1 ZINC000020572216 555823551 /nfs/dbraw/zinc/82/35/51/555823551.db2.gz NUTVPLHOIDLALZ-HNNXBMFYSA-N 0 0 476.624 1.917 50 0 JDAARN COc1ccc(CN2C[C@@H](OC)CN(C(=O)[C@H]3CC(=O)N(Cc4ccccn4)C3)CC2=O)cc1 ZINC000014535106 555823917 /nfs/dbraw/zinc/82/39/17/555823917.db2.gz BBXYOOGBLVZRPO-SIKLNZKXSA-N 0 0 466.538 1.325 50 0 JDAARN Cn1nc(C(=O)NCCN2CCOCC2)c2c1CCN(C(=O)c1cccc(-c3ccco3)c1)C2 ZINC000014535115 555823983 /nfs/dbraw/zinc/82/39/83/555823983.db2.gz QWJFKQDJANJRCA-UHFFFAOYSA-N 0 0 463.538 1.941 50 0 JDAARN CCN(CC)C(=O)CO[C@@H]1CN(C(=O)c2csnn2)CC(=O)N(CCc2ccccc2)C1 ZINC000014535186 555823992 /nfs/dbraw/zinc/82/39/92/555823992.db2.gz LPFGQMLDWFEQRE-SFHVURJKSA-N 0 0 459.572 1.319 50 0 JDAARN COCCCN1C(=O)C[C@](CC(=O)N2CCN(Cc3nccn3C)CC2)(c2ccccc2C)C1=O ZINC000011789908 555825402 /nfs/dbraw/zinc/82/54/02/555825402.db2.gz NMVZJQLKPPCQDY-AREMUKBSSA-N 0 0 481.597 1.496 50 0 JDAARN O=C(CSc1nc(=O)n(CCN2CCOCC2)c2c1CCC2)Nc1ccc2c(c1)OCCO2 ZINC000020573982 555826797 /nfs/dbraw/zinc/82/67/97/555826797.db2.gz LQUYOAKKIMCJHO-UHFFFAOYSA-N 0 0 472.567 1.566 50 0 JDAARN COc1cccc(CO[C@@H]2CN(C(=O)CSc3nncn3C)CC(=O)N(CC(C)C)C2)c1 ZINC000014539422 555829323 /nfs/dbraw/zinc/82/93/23/555829323.db2.gz CTMLQMMUMZPINB-IBGZPJMESA-N 0 0 461.588 1.828 50 0 JDAARN COc1cccc(CO[C@H]2CN(C(=O)CSc3nncn3C)CC(=O)N(CC(C)C)C2)c1 ZINC000014539421 555829357 /nfs/dbraw/zinc/82/93/57/555829357.db2.gz CTMLQMMUMZPINB-LJQANCHMSA-N 0 0 461.588 1.828 50 0 JDAARN COC(=O)c1c(OC(C)C)cc(=O)n2c1CCN(C(=O)Cn1cnc3ccccc3c1=O)CC2 ZINC000011814487 555829517 /nfs/dbraw/zinc/82/95/17/555829517.db2.gz JCRFYSYCPSDTAS-UHFFFAOYSA-N 0 0 466.494 1.217 50 0 JDAARN COc1ccc(NC(=O)c2nnn(CC(=O)Nc3ccc(OC)c(OC)c3)c2N)c(OC)c1 ZINC000020575002 555829870 /nfs/dbraw/zinc/82/98/70/555829870.db2.gz WWZQBPPBSJWXJI-UHFFFAOYSA-N 0 0 456.459 1.786 50 0 JDAARN Cn1ccnc1CN1C[C@H](C(=O)NCCCN2CCOCC2)C[C@H](COc2cccc(F)c2)C1 ZINC000014540245 555830402 /nfs/dbraw/zinc/83/04/02/555830402.db2.gz ODANTYXIYTVZSD-LEWJYISDSA-N 0 0 473.593 1.915 50 0 JDAARN COC(=O)c1c(OC[C@H]2CC(=O)N(C)C2)cc(=O)n2c1CCN(C(=O)Cc1cccc(OC)c1)CC2 ZINC000011815777 555830476 /nfs/dbraw/zinc/83/04/76/555830476.db2.gz DZJAUMYAIKIUHI-SFHVURJKSA-N 0 0 497.548 1.128 50 0 JDAARN CCOC(=O)C1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CS4)CC2)CC1 ZINC000020577020 555831468 /nfs/dbraw/zinc/83/14/68/555831468.db2.gz HUKUHBCEWFPLRD-UHFFFAOYSA-N 0 0 495.623 1.933 50 0 JDAARN COc1cc(=O)n2c(c1C(=O)N1CCSCC1)CCN(C(=O)c1cccc(-n3cccn3)c1)CC2 ZINC000011839070 555832204 /nfs/dbraw/zinc/83/22/04/555832204.db2.gz AOJMNPCFVYFJPD-UHFFFAOYSA-N 0 0 493.589 1.930 50 0 JDAARN O=C(C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)CC1)N1CCC2(CC1)OCCO2 ZINC000020578780 555833627 /nfs/dbraw/zinc/83/36/27/555833627.db2.gz ATMCCAJDNYEUSN-UHFFFAOYSA-N 0 0 477.583 1.728 50 0 biogenic JDAARN COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)N2CCN(c3ccccn3)CC2)c(C)c1C ZINC000011841393 555833836 /nfs/dbraw/zinc/83/38/36/555833836.db2.gz IAGGCGVFKQAASI-NRFANRHFSA-N 0 0 451.571 1.746 50 0 JDAARN COc1cc(=O)n2c(c1C(=O)NCc1ccsc1)CCN(C(=O)Cc1cccnc1)CC2 ZINC000011841303 555833852 /nfs/dbraw/zinc/83/38/52/555833852.db2.gz WHQCBDCHZMBGBX-UHFFFAOYSA-N 0 0 452.536 1.871 50 0 JDAARN O=C(Cn1c(=O)oc2ccccc21)NC[C@H]1CCC2(CCN(C(=O)c3ccncc3)CC2)O1 ZINC000011841742 555834243 /nfs/dbraw/zinc/83/42/43/555834243.db2.gz RSPVWSPJBGTZDV-GOSISDBHSA-N 0 0 450.495 1.960 50 0 JDAARN O=C(c1cnccn1)N1CC(=O)N(CCCN2CCCC2=O)C[C@@H](OCc2ccccc2)C1 ZINC000014543138 555834338 /nfs/dbraw/zinc/83/43/38/555834338.db2.gz SDMDVKPBJZDMCQ-HXUWFJFHSA-N 0 0 451.527 1.359 50 0 JDAARN Cc1c(C)n2c(nc3c2c(=O)n(Cc2cccc(Cl)c2)c(=O)n3C)n1CCN1CCOCC1 ZINC000020590239 555837939 /nfs/dbraw/zinc/83/79/39/555837939.db2.gz HNMASOYLTKKXKY-UHFFFAOYSA-N 0 0 470.961 1.800 50 0 JDAARN COc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)N1CCN(c2cccc(C)c2C)CC1 ZINC000011859347 555838609 /nfs/dbraw/zinc/83/86/09/555838609.db2.gz YNHTUNXOZFMHKA-UHFFFAOYSA-N 0 0 493.607 1.889 50 0 JDAARN CCn1cc(C(=O)N[C@@H](CC(C)C)C(=O)N2CCN(C)CC2)c(=O)c2cc3c(cc21)OCO3 ZINC000020592306 555838623 /nfs/dbraw/zinc/83/86/23/555838623.db2.gz LDSHOXJGBDONLM-SFHVURJKSA-N 0 0 456.543 1.669 50 0 JDAARN COc1cc(=O)n2c(c1C(=O)NCc1nonc1C)CCN(Cc1cc(F)ccc1F)CC2 ZINC000020598519 555840537 /nfs/dbraw/zinc/84/05/37/555840537.db2.gz OCHJKFHAVJJTOG-UHFFFAOYSA-N 0 0 459.453 1.815 50 0 JDAARN CCn1nc(C)c(/C=c2/sc3n(c2=O)[C@H]2c4ccccc4O[C@@](C)(N=3)[C@H]2C(=O)OC)c1C ZINC000020602311 555843085 /nfs/dbraw/zinc/84/30/85/555843085.db2.gz ORCHHDOYQLALFW-IBNJAXCWSA-N 0 0 452.536 1.692 50 0 JDAARN Cc1c(C)c2ccc(OCC(=O)NCC(=O)NCC(=O)N3CC[C@@]4(O)CCCC[C@@H]4C3)cc2oc1=O ZINC000011867024 555843366 /nfs/dbraw/zinc/84/33/66/555843366.db2.gz WXQMVDVSDYDVFE-DWXRJYCRSA-N 0 0 499.564 1.175 50 0 JDAARN COc1cccc(N2CCN(C(=O)Cn3cc(NC(=O)Cc4ccccc4OC)cn3)CC2=O)c1 ZINC000014999092 555843586 /nfs/dbraw/zinc/84/35/86/555843586.db2.gz KOQCKCFIYCYOOJ-UHFFFAOYSA-N 0 0 477.521 1.957 50 0 JDAARN O=C(COc1ccc2c3c(c(=O)oc2c1)CCC3)NCC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000011867047 555843696 /nfs/dbraw/zinc/84/36/96/555843696.db2.gz RPCOITVKNIIBGJ-CPJLOUKISA-N 0 0 454.523 1.930 50 0 biogenic JDAARN COc1ccc(OCC(=O)NCCS(=O)(=O)N2CCN(c3ccccc3F)CC2)cc1 ZINC000020604404 555845182 /nfs/dbraw/zinc/84/51/82/555845182.db2.gz CERSBULMASAHEH-UHFFFAOYSA-N 0 0 451.520 1.481 50 0 JDAARN C[C@@H](OC(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000021131226 555849798 /nfs/dbraw/zinc/84/97/98/555849798.db2.gz FDNBFQQDCVKWRW-HUUCEWRRSA-N 0 0 477.514 1.999 50 0 JDAARN C[C@H](OC(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000021131230 555849940 /nfs/dbraw/zinc/84/99/40/555849940.db2.gz FDNBFQQDCVKWRW-LSDHHAIUSA-N 0 0 477.514 1.999 50 0 JDAARN COc1cccc(-c2nc(SCC(=O)N3CCCCC3)c3c(=O)n(C)c(=O)n(C)c3n2)c1 ZINC000011883431 555851651 /nfs/dbraw/zinc/85/16/51/555851651.db2.gz NUJBITXENLKQKE-UHFFFAOYSA-N 0 0 455.540 1.807 50 0 JDAARN 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CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N(C)Cc2cnn(-c3ccccc3)c2)c1 ZINC000021962623 555857921 /nfs/dbraw/zinc/85/79/21/555857921.db2.gz BEMNVLYIMSYFET-UHFFFAOYSA-N 0 0 457.556 1.723 50 0 JDAARN COC(=O)c1c(OC[C@H]2CC(=O)N(C)C2)cc(=O)n2c1CCN(C(=O)Cc1ccc(OC)cc1)CC2 ZINC000011910707 555858387 /nfs/dbraw/zinc/85/83/87/555858387.db2.gz LPKOSTPXYASGKO-SFHVURJKSA-N 0 0 497.548 1.128 50 0 JDAARN COc1cc(=O)n2c(c1C(=O)NCc1nonc1C)CCN(C(=O)c1ccccc1Cl)CC2 ZINC000011911017 555858704 /nfs/dbraw/zinc/85/87/04/555858704.db2.gz IWCBCWPJFQMHOD-UHFFFAOYSA-N 0 0 471.901 1.830 50 0 JDAARN CCn1c(COC(=O)CNC(=O)c2ccccc2F)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000021985510 555859528 /nfs/dbraw/zinc/85/95/28/555859528.db2.gz JAZYOFKNJMDWCE-UHFFFAOYSA-N 0 0 462.503 1.919 50 0 JDAARN CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N(C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)c1C ZINC000021987353 555859876 /nfs/dbraw/zinc/85/98/76/555859876.db2.gz BVPBXCACERDHDR-UHFFFAOYSA-N 0 0 497.508 1.109 50 0 JDAARN 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/nfs/dbraw/zinc/87/97/83/555879783.db2.gz JVPVBLMAVWRWEF-SFHVURJKSA-N 0 0 497.595 1.352 50 0 JDAARN Cc1nc2ccccc2n1CCNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 ZINC000015136091 555880074 /nfs/dbraw/zinc/88/00/74/555880074.db2.gz FGBWHEHGWZBSOI-UHFFFAOYSA-N 0 0 471.583 1.862 50 0 JDAARN CN(C)[C@@H](CNS(=O)(=O)c1ccc(N2C(=O)C(C)(C)CS2(=O)=O)cc1)c1ccco1 ZINC000011997972 555880358 /nfs/dbraw/zinc/88/03/58/555880358.db2.gz MZTFFQKPKFBCON-INIZCTEOSA-N 0 0 455.558 1.563 50 0 JDAARN Cc1cc(N2C(=O)[C@H](C)CS2(=O)=O)ccc1S(=O)(=O)NC[C@H](c1ccco1)N(C)C ZINC000011998013 555880363 /nfs/dbraw/zinc/88/03/63/555880363.db2.gz DGCJUJRPQAKTSX-GDBMZVCRSA-N 0 0 455.558 1.482 50 0 JDAARN CN(C)[C@H](CNS(=O)(=O)c1ccc(N2C(=O)C(C)(C)CS2(=O)=O)cc1)c1ccco1 ZINC000011997974 555880383 /nfs/dbraw/zinc/88/03/83/555880383.db2.gz MZTFFQKPKFBCON-MRXNPFEDSA-N 0 0 455.558 1.563 50 0 JDAARN COc1ccc([C@H](CNS(=O)(=O)c2ccc(N3C(=O)C(C)(C)CS3(=O)=O)cc2)N(C)C)cc1 ZINC000011997995 555880473 /nfs/dbraw/zinc/88/04/73/555880473.db2.gz 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O=C(NCc1ccc2c(c1)OCO2)c1cc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)ccc1F ZINC000012031099 555886878 /nfs/dbraw/zinc/88/68/78/555886878.db2.gz PTYVAGLVMBXNEI-CQSZACIVSA-N 0 0 455.485 1.445 50 0 JDAARN CC(=O)Nc1ccc(NC(=O)c2cc(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)ccc2F)cc1 ZINC000012031421 555886935 /nfs/dbraw/zinc/88/69/35/555886935.db2.gz FGDMCMKWWUTNKI-MRXNPFEDSA-N 0 0 454.501 1.997 50 0 JDAARN COC(=O)c1ccccc1NC(=O)c1cc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)ccc1F ZINC000012031426 555887152 /nfs/dbraw/zinc/88/71/52/555887152.db2.gz SRZKEJYWPHYRLA-CYBMUJFWSA-N 0 0 455.485 1.825 50 0 JDAARN Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COC(=O)CCNS(=O)(=O)c1ccccc1 ZINC000015280454 555893416 /nfs/dbraw/zinc/89/34/16/555893416.db2.gz YKYFANJCQOBOKL-UHFFFAOYSA-N 0 0 483.568 1.096 50 0 JDAARN O=C(CN1C(=O)c2ccccc2C1=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 ZINC000015316250 555896648 /nfs/dbraw/zinc/89/66/48/555896648.db2.gz YWPKHZARZZHYJY-UHFFFAOYSA-N 0 0 498.561 1.542 50 0 JDAARN C[C@]12CCC(=O)N1[C@H](C(=O)Nc1cc(S(=O)(=O)N3CCOCC3)ccc1N1CCCC1)CS2 ZINC000015316221 555896672 /nfs/dbraw/zinc/89/66/72/555896672.db2.gz HCPLTINMCMLTKG-UGKGYDQZSA-N 0 0 494.639 1.700 50 0 JDAARN CCCn1c2ccc(S(N)(=O)=O)cc2nc1SCC(=O)N(CC)CC(=O)NC(C)C ZINC000015355686 555900293 /nfs/dbraw/zinc/90/02/93/555900293.db2.gz OWXZINGDGKJJEL-UHFFFAOYSA-N 0 0 455.606 1.559 50 0 JDAARN O=C(NCc1ccccc1Cl)C(=O)NC[C@H]1OCCN1S(=O)(=O)c1ccc(F)cc1 ZINC000012080664 555903608 /nfs/dbraw/zinc/90/36/08/555903608.db2.gz OSZSXTPPTPLMKQ-QGZVFWFLSA-N 0 0 455.895 1.259 50 0 JDAARN Cc1ccc(CNC(=O)C(=O)NC[C@@H]2OCCN2S(=O)(=O)c2cc(F)ccc2F)cc1 ZINC000012080676 555903798 /nfs/dbraw/zinc/90/37/98/555903798.db2.gz CQTQRGGJXTVMTN-SFHVURJKSA-N 0 0 453.467 1.053 50 0 JDAARN O=C(NCc1ccc(Cl)cc1)C(=O)NC[C@H]1OCCN1S(=O)(=O)c1cc(F)ccc1F ZINC000012080678 555903802 /nfs/dbraw/zinc/90/38/02/555903802.db2.gz QGYTWJWDOFPOHM-QGZVFWFLSA-N 0 0 473.885 1.398 50 0 JDAARN COc1ccc(CCNC(=O)C(=O)NC[C@@H]2OCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1 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/nfs/dbraw/zinc/90/98/54/555909854.db2.gz UUTKQQVXBWZCCN-SFHVURJKSA-N 0 0 454.552 1.965 50 0 JDAARN CCN(CC(=O)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000015447613 555909876 /nfs/dbraw/zinc/90/98/76/555909876.db2.gz UUTKQQVXBWZCCN-GOSISDBHSA-N 0 0 454.552 1.965 50 0 JDAARN Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1 ZINC000015474008 555910484 /nfs/dbraw/zinc/91/04/84/555910484.db2.gz KTKVBQMIGCLWOR-UHFFFAOYSA-N 0 0 458.584 1.950 50 0 JDAARN Cc1ccc(C(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)cc1S(=O)(=O)N1CCOCC1 ZINC000015536432 555913916 /nfs/dbraw/zinc/91/39/16/555913916.db2.gz GWPIDXLGBBYAKJ-QFIPXVFZSA-N 0 0 491.585 1.958 50 0 JDAARN CCCCn1c(N)c(N(CC)C(=O)CN2CCC(C(=O)N3CCCCCC3)CC2)c(=O)[nH]c1=O ZINC000015544266 555914151 /nfs/dbraw/zinc/91/41/51/555914151.db2.gz ZCPCMACWPCJIRW-UHFFFAOYSA-N 0 0 476.622 1.386 50 0 JDAARN COc1ccccc1-n1c2nc(-c3cc(OC)c(OC)c(OC)c3)nc(C(N)=O)c2[nH]c1=O ZINC000012140176 555917075 /nfs/dbraw/zinc/91/70/75/555917075.db2.gz 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Cc1cc2c(c(Cl)c1)NC(=O)[C@]21N[C@H](CC(N)=O)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21 ZINC000015958836 556090809 /nfs/dbraw/zinc/09/08/09/556090809.db2.gz IDYAUYJHCDEREF-VGHKVXAASA-N 0 0 452.898 1.444 50 0 biogenic JDAARN O=C1C(=O)N(CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C(=O)N1CCc1cccs1 ZINC000023840564 556090857 /nfs/dbraw/zinc/09/08/57/556090857.db2.gz APVVWSUTGPIFFI-UHFFFAOYSA-N 0 0 496.998 1.699 50 0 JDAARN COC(=O)c1ccc(CNC(=O)CN2C(=O)N[C@](C)(c3ccc(OC)c(OC)c3)C2=O)cc1 ZINC000023845603 556091338 /nfs/dbraw/zinc/09/13/38/556091338.db2.gz SSKAWENYMVKUAT-HSZRJFAPSA-N 0 0 455.467 1.574 50 0 JDAARN Cc1c2c(ccc1Cl)[C@]1(N[C@@H](CC(N)=O)[C@H]3C(=O)N(Cc4ccc5c(c4)OCO5)C(=O)[C@H]31)C(=O)N2 ZINC000015959582 556091394 /nfs/dbraw/zinc/09/13/94/556091394.db2.gz YNIQIZNRUKXHJG-HVXFUGBPSA-N 0 0 496.907 1.173 50 0 biogenic JDAARN O=C(Nc1ccc(S(=O)(=O)NCCCN2CCOCC2)cc1)[C@H]1COc2ccccc2O1 ZINC000023845310 556091458 /nfs/dbraw/zinc/09/14/58/556091458.db2.gz GSRCTNIXMFKTJC-OAQYLSRUSA-N 0 0 461.540 1.466 50 0 JDAARN O=C(Nc1ccc(S(=O)(=O)NCCCN2CCOCC2)cc1)[C@@H]1COc2ccccc2O1 ZINC000023845304 556091485 /nfs/dbraw/zinc/09/14/85/556091485.db2.gz GSRCTNIXMFKTJC-NRFANRHFSA-N 0 0 461.540 1.466 50 0 JDAARN Cc1c2c(ccc1Cl)[C@]1(N[C@H](CC(N)=O)[C@H]3C(=O)N(Cc4ccc5c(c4)OCO5)C(=O)[C@H]31)C(=O)N2 ZINC000015959584 556091494 /nfs/dbraw/zinc/09/14/94/556091494.db2.gz YNIQIZNRUKXHJG-DJVOCCORSA-N 0 0 496.907 1.173 50 0 biogenic JDAARN O=C1N[C@@H](Cc2ccccc2)C(=O)N1CN1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000023845837 556091648 /nfs/dbraw/zinc/09/16/48/556091648.db2.gz NHYWYUUTNSBQOI-FQEVSTJZSA-N 0 0 460.531 1.643 50 0 JDAARN Cc1c2c(ccc1Cl)[C@]1(N[C@H](CC(N)=O)[C@H]3C(=O)N(CCc4ccccc4)C(=O)[C@H]31)C(=O)N2 ZINC000015959820 556091983 /nfs/dbraw/zinc/09/19/83/556091983.db2.gz SUTBASSTIJUPRM-SYSFZUQMSA-N 0 0 466.925 1.487 50 0 biogenic JDAARN O=C(CN1CCN(S(=O)(=O)c2cccs2)CC1)NCc1ccc(CN2CCOCC2)cc1 ZINC000023846802 556092062 /nfs/dbraw/zinc/09/20/62/556092062.db2.gz YMSLJLVHSNVJLY-UHFFFAOYSA-N 0 0 478.640 1.203 50 0 JDAARN C[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)N1CCN(Cc2ccncc2)CC1 ZINC000023846386 556092069 /nfs/dbraw/zinc/09/20/69/556092069.db2.gz XOYYETJIVSQKKE-QGZVFWFLSA-N 0 0 460.556 1.254 50 0 JDAARN COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1C(=O)OCc1nc(-c2ccc(OC)cc2)no1 ZINC000023846966 556092331 /nfs/dbraw/zinc/09/23/31/556092331.db2.gz GLCALDSALMRSFS-UHFFFAOYSA-N 0 0 457.439 1.902 50 0 JDAARN Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)NCc2ccccc2CN2CCOCC2)CC1 ZINC000023847119 556092460 /nfs/dbraw/zinc/09/24/60/556092460.db2.gz NSEUPDZLFNSBSS-UHFFFAOYSA-N 0 0 476.599 1.841 50 0 JDAARN O=C1C(=O)N(CN2CCN(S(=O)(=O)c3ccccc3)CC2)C(=O)N1CCc1cccs1 ZINC000023864714 556093499 /nfs/dbraw/zinc/09/34/99/556093499.db2.gz FBWMXFDSKDCDDF-UHFFFAOYSA-N 0 0 462.553 1.045 50 0 JDAARN C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)C1=O ZINC000023865262 556093805 /nfs/dbraw/zinc/09/38/05/556093805.db2.gz GRWLXCKCWYMBLV-JWQCQUIFSA-N 0 0 475.505 1.354 50 0 JDAARN C[C@]1(c2ccccc2)NC(=O)N(CN2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1=O ZINC000023865612 556094083 /nfs/dbraw/zinc/09/40/83/556094083.db2.gz VZSZJHKAUPRQPP-JOCHJYFZSA-N 0 0 460.531 1.947 50 0 JDAARN Cc1ccc(S(=O)(=O)N2CCCN(CN3C(=O)C(=O)N(Cc4ccccc4)C3=O)CC2)cc1 ZINC000023865750 556094117 /nfs/dbraw/zinc/09/41/17/556094117.db2.gz JZEDTYZULMWQNA-UHFFFAOYSA-N 0 0 470.551 1.640 50 0 JDAARN O=C1C(=O)N(CN2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)C(=O)N1Cc1ccccc1 ZINC000023866352 556094811 /nfs/dbraw/zinc/09/48/11/556094811.db2.gz LXSHGLIDZJNMBF-UHFFFAOYSA-N 0 0 474.514 1.471 50 0 JDAARN O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000023866541 556094953 /nfs/dbraw/zinc/09/49/53/556094953.db2.gz SQHDPTZKFSJHHL-UHFFFAOYSA-N 0 0 499.633 1.919 50 0 JDAARN CCn1c(CN2CCN(C(=O)C3CC3)CC2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000023866915 556095568 /nfs/dbraw/zinc/09/55/68/556095568.db2.gz ZBTLWOKLPJRIQL-UHFFFAOYSA-N 0 0 461.588 1.131 50 0 JDAARN O=C(c1nn(Cc2ccccc2)c(=O)c2ccccc21)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000023872963 556095889 /nfs/dbraw/zinc/09/58/89/556095889.db2.gz MYJNRERCYOGPRX-LJQANCHMSA-N 0 0 466.563 1.390 50 0 JDAARN C[C@@]1(c2ccc3c(c2)OCO3)NC(=O)N(CN2CCN(S(=O)(=O)Cc3ccccc3)CC2)C1=O ZINC000023873149 556096532 /nfs/dbraw/zinc/09/65/32/556096532.db2.gz RXYZMPSKPRSNDI-QHCPKHFHSA-N 0 0 486.550 1.287 50 0 JDAARN Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000023873230 556096889 /nfs/dbraw/zinc/09/68/89/556096889.db2.gz QJTKCOVYYBGTNU-IBGZPJMESA-N 0 0 477.608 1.741 50 0 JDAARN COc1cccc([C@@]2(C)NC(=O)N(CC(=O)Nc3cc(S(=O)(=O)N(C)C)ccc3C)C2=O)c1 ZINC000023880909 556097419 /nfs/dbraw/zinc/09/74/19/556097419.db2.gz JJIBADDWPGGLMZ-JOCHJYFZSA-N 0 0 474.539 1.660 50 0 JDAARN C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34/C=N/NC(N)=S)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1 ZINC000012656103 556099107 /nfs/dbraw/zinc/09/91/07/556099107.db2.gz GCCGBFMXLFQGFE-BIRRBMNTSA-N 0 0 477.627 1.518 50 0 biogenic JDAARN O=C(Cn1cnc2scc(-c3ccc(F)cc3)c2c1=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000023907600 556099629 /nfs/dbraw/zinc/09/96/29/556099629.db2.gz MNAXAKYNXZWXLK-KRWDZBQOSA-N 0 0 490.582 1.595 50 0 JDAARN COc1ccc(-c2nnc(SCC(=O)c3c(N)n(C4CC4)c(=O)[nH]c3=O)n2C[C@H]2CCCO2)cc1 ZINC000012692261 556102278 /nfs/dbraw/zinc/10/22/78/556102278.db2.gz PMXHLBOICBWNIR-MRXNPFEDSA-N 0 0 498.565 1.875 50 0 JDAARN Cn1cnc2c1c(=O)n(CC(=O)N1CCN(C(c3ccccc3)c3ccccc3)CC1)c(=O)n2C ZINC000023936748 556102963 /nfs/dbraw/zinc/10/29/63/556102963.db2.gz PICZTKQGEHQHNT-UHFFFAOYSA-N 0 0 472.549 1.368 50 0 JDAARN O=S(=O)(c1ccc2c(c1)OCCCO2)N1CCN(Cc2nnnn2-c2ccccc2)CC1 ZINC000023955519 556103692 /nfs/dbraw/zinc/10/36/92/556103692.db2.gz JTHZBNWJQLHKFU-UHFFFAOYSA-N 0 0 456.528 1.330 50 0 JDAARN CCCCc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](CC(N)=O)N[C@@]32c3cc(F)ccc3NC2=O)cc1 ZINC000016010214 556109790 /nfs/dbraw/zinc/10/97/90/556109790.db2.gz PCOQEQSJMJJEIL-HOSCZWGSSA-N 0 0 464.497 1.969 50 0 JDAARN Cc1c2c(ccc1Cl)[C@]1(N[C@@H](CC(N)=O)[C@H]3C(=O)N(Cc4ccc(F)cc4)C(=O)[C@H]31)C(=O)N2 ZINC000016010201 556109798 /nfs/dbraw/zinc/10/97/98/556109798.db2.gz BDRYVDPONKBAAI-XQNUDUSMSA-N 0 0 470.888 1.584 50 0 JDAARN NC(=O)C[C@H]1N[C@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(Cc3ccccc3Cl)C(=O)[C@H]12 ZINC000016011870 556110580 /nfs/dbraw/zinc/11/05/80/556110580.db2.gz VVTBSMYAGVVXCF-XNGFIGEISA-N 0 0 473.316 1.789 50 0 JDAARN Cc1ccc2c(c1C)NC(=O)[C@]21N[C@H](CC(N)=O)[C@H]2C(=O)N(Cc3ccccc3Cl)C(=O)[C@H]21 ZINC000016013168 556112145 /nfs/dbraw/zinc/11/21/45/556112145.db2.gz LPKBYCXQBOYVBB-BKJGLDIHSA-N 0 0 466.925 1.753 50 0 JDAARN COc1ccccc1CCC(=O)N(C)CC(=O)N(CC(C)C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000016013858 556112474 /nfs/dbraw/zinc/11/24/74/556112474.db2.gz ALSWXTZUYFAPIE-UHFFFAOYSA-N 0 0 487.601 1.864 50 0 JDAARN O=C([O-])CC[C@@H]1[NH2+][C@@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@@H]21 ZINC000016020372 556113004 /nfs/dbraw/zinc/11/30/04/556113004.db2.gz QCWOALXBNDMMTD-QLBZUPSYSA-N 0 0 451.454 1.654 50 0 JDAARN O=C([O-])CC[C@@H]1[NH2+][C@@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@@H]21 ZINC000016019979 556113071 /nfs/dbraw/zinc/11/30/71/556113071.db2.gz IGLWMBUEXFZYNE-RXYORGTDSA-N 0 0 481.436 1.340 50 0 JDAARN COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@H]([C@@H](C)O)N[C@]32C(=O)Nc3ccc(F)cc32)cc1OC ZINC000016021975 556114439 /nfs/dbraw/zinc/11/44/39/556114439.db2.gz FTFKQTHVMIFSQO-WEFZHDDSSA-N 0 0 483.496 1.187 50 0 JDAARN NC(=O)C[C@H]1N[C@@]2(C(=O)Nc3ccc(Br)cc32)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]12 ZINC000016022297 556115070 /nfs/dbraw/zinc/11/50/70/556115070.db2.gz NDQQAFYXYIQWJA-YQYRJILISA-N 0 0 497.349 1.288 50 0 JDAARN O=C(N[C@H](Cc1ccccc1)C(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1)c1ccccc1 ZINC000023995321 556115382 /nfs/dbraw/zinc/11/53/82/556115382.db2.gz BOZWDNYVRYGBGP-FGZHOGPDSA-N 0 0 455.580 1.359 50 0 JDAARN C[C@H](O)[C@@H]1N[C@]2(C(=O)Nc3ccc(Br)cc32)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]12 ZINC000016024997 556115721 /nfs/dbraw/zinc/11/57/21/556115721.db2.gz KMYUCEWSWQJKDB-YLSATLEASA-N 0 0 484.350 1.793 50 0 JDAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000024072948 556118686 /nfs/dbraw/zinc/11/86/86/556118686.db2.gz OGKOCHZSOGKKAN-GOSISDBHSA-N 0 0 480.612 1.572 50 0 JDAARN Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)CN1c2ccccc2OCCC1=O ZINC000024071692 556118818 /nfs/dbraw/zinc/11/88/18/556118818.db2.gz OWTICPUQNRBMBK-KRWDZBQOSA-N 0 0 460.556 1.634 50 0 JDAARN CC(C)[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)OCC(=O)c1ccccc1 ZINC000016035798 556119709 /nfs/dbraw/zinc/11/97/09/556119709.db2.gz UESHAKFQKCZZEM-QFIPXVFZSA-N 0 0 488.562 1.888 50 0 JDAARN COC(=O)C1CCN(C(=O)C2CCN(C(=O)[C@H](C)NS(=O)(=O)c3ccc(C)cc3)CC2)CC1 ZINC000012864887 556120365 /nfs/dbraw/zinc/12/03/65/556120365.db2.gz ZFPDJLFLTOCCBJ-KRWDZBQOSA-N 0 0 479.599 1.312 50 0 biogenic JDAARN COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCC(=O)N3[C@H]3OC(=O)c4ccccc43)CC2)cc1 ZINC000016039357 556121168 /nfs/dbraw/zinc/12/11/68/556121168.db2.gz KGKMHVXMAYUBAX-OFNKIYASSA-N 0 0 499.545 1.388 50 0 JDAARN COc1ccc(CN2CCN(C(=O)Cn3cnc4ccccc4c3=O)CC2)c(OC)c1OC ZINC000024133037 556122625 /nfs/dbraw/zinc/12/26/25/556122625.db2.gz FSOKHNYUXCLKAO-UHFFFAOYSA-N 0 0 452.511 1.767 50 0 JDAARN O=C(Nc1ccccc1I)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000012879281 556123086 /nfs/dbraw/zinc/12/30/86/556123086.db2.gz ZXOSSYFFKKIDNE-SNVBAGLBSA-N 0 0 461.281 1.395 50 0 JDAARN CCc1ccc2c(c1)[C@]1([NH2+][C@H](CCC(=O)[O-])[C@H]3C(=O)N(Cc4ccc5c(c4)OCO5)C(=O)[C@H]31)C(=O)N2 ZINC000012885970 556124316 /nfs/dbraw/zinc/12/43/16/556124316.db2.gz JQESAXREDTUXNX-WUABMQKPSA-N 0 0 491.500 1.763 50 0 biogenic JDAARN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COc1ccc2ccc(=O)oc2c1 ZINC000016044579 556124561 /nfs/dbraw/zinc/12/45/61/556124561.db2.gz YIJPYNHFASROIM-UHFFFAOYSA-N 0 0 474.491 1.840 50 0 JDAARN C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)NCCCN3CCCC3=O)ccc2Cl)C[C@H](C)O1 ZINC000016044630 556124906 /nfs/dbraw/zinc/12/49/06/556124906.db2.gz VURLGVXRHADVDC-GASCZTMLSA-N 0 0 457.980 1.880 50 0 JDAARN CCOC(=O)c1c(NC(=O)COC(=O)c2c(C)oc3ncn(C)c(=O)c32)oc(C)c1C(C)=O ZINC000024175767 556125090 /nfs/dbraw/zinc/12/50/90/556125090.db2.gz JQKCSHHQHZMZAU-UHFFFAOYSA-N 0 0 459.411 1.911 50 0 JDAARN Cc1csc(=O)n1CCC(=O)OCC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 ZINC000012907752 556126855 /nfs/dbraw/zinc/12/68/55/556126855.db2.gz OPMFTSBGKIXSNF-UHFFFAOYSA-N 0 0 483.568 1.120 50 0 JDAARN CC(C)[C@@H](OC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1F)C(=O)NC(N)=O ZINC000012908087 556127174 /nfs/dbraw/zinc/12/71/74/556127174.db2.gz BRHUFESZNCKVMP-SJLPKXTDSA-N 0 0 465.503 1.478 50 0 JDAARN Cn1ccnc1C(=O)c1ccc(NC(=O)[C@@H](CCS(C)(=O)=O)N2C(=O)c3ccccc3C2=O)cc1 ZINC000024220548 556127236 /nfs/dbraw/zinc/12/72/36/556127236.db2.gz MVBVFJHOQNAJCT-LJQANCHMSA-N 0 0 494.529 1.689 50 0 JDAARN CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)[C@H]1CS[C@]2(C)CCC(=O)N12 ZINC000012908451 556127538 /nfs/dbraw/zinc/12/75/38/556127538.db2.gz 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ZINC000029765319 556356944 /nfs/dbraw/zinc/35/69/44/556356944.db2.gz RNJRTTDICLHMBR-KXBFYZLASA-N 0 0 456.520 1.453 50 0 JDAARN COc1ccc2oc(=O)c(C(=O)OCCN3CCN(S(=O)(=O)c4ccccc4)CC3)cc2c1 ZINC000019620042 556357909 /nfs/dbraw/zinc/35/79/09/556357909.db2.gz FPDQHKUJAKHDHR-UHFFFAOYSA-N 0 0 472.519 1.965 50 0 JDAARN C[C@H]1CCc2c(sc(NC(=O)COC(=O)CNS(=O)(=O)c3ccccc3)c2C(N)=O)C1 ZINC000013132153 556358875 /nfs/dbraw/zinc/35/88/75/556358875.db2.gz PRRGZCAGHFGHIG-LBPRGKRZSA-N 0 0 465.553 1.432 50 0 JDAARN CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)OCC(=O)Nc2ccc3c(c2)OCO3)cc1 ZINC000013133664 556359624 /nfs/dbraw/zinc/35/96/24/556359624.db2.gz KRTDRQRVNOMEJG-LBPRGKRZSA-N 0 0 463.468 1.222 50 0 JDAARN O=C(CSc1nnnn1-c1cccc(F)c1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000029990457 556361834 /nfs/dbraw/zinc/36/18/34/556361834.db2.gz XVHYWSYCEIBYEZ-LJQANCHMSA-N 0 0 484.513 1.404 50 0 JDAARN COc1ccc([C@H](CNC(=O)CCNS(=O)(=O)c2ccc(C)cc2)N2CCOCC2)cc1 ZINC000029993608 556362224 /nfs/dbraw/zinc/36/22/24/556362224.db2.gz RTRUUQXFDZKULW-QFIPXVFZSA-N 0 0 461.584 1.862 50 0 JDAARN Cn1c2nc(NCCN3CCOCC3)n(Cc3ccc(Cl)cc3Cl)c2c(=O)n(C)c1=O ZINC000019727750 556362659 /nfs/dbraw/zinc/36/26/59/556362659.db2.gz PPEIDVFKQFXKND-UHFFFAOYSA-N 0 0 467.357 1.533 50 0 JDAARN COCCN1C(=O)C[C@](CC(=O)N2CCN(CCOC)CC2)(c2ccccc2Cl)C1=O ZINC000019743000 556364913 /nfs/dbraw/zinc/36/49/13/556364913.db2.gz XDHUIYHANHIBAH-JOCHJYFZSA-N 0 0 451.951 1.164 50 0 JDAARN COc1cc(OC)c(CN2CCc3nnc(CCNC(=O)[C@H]4CCCO4)n3CC2)c(OC)c1 ZINC000019742520 556365188 /nfs/dbraw/zinc/36/51/88/556365188.db2.gz FZYJMMQLQZNJSZ-GOSISDBHSA-N 0 0 459.547 1.200 50 0 JDAARN CCn1c(-c2ccco2)nn(CN2CCN(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)c1=S ZINC000030587271 556367762 /nfs/dbraw/zinc/36/77/62/556367762.db2.gz MKWYNWZQGYIVRY-HZPDHXFCSA-N 0 0 470.621 1.623 50 0 JDAARN Cc1cc(N2C(=O)CCS2(=O)=O)ccc1S(=O)(=O)N1CCN(Cc2ccccc2)CC1 ZINC000019796703 556374508 /nfs/dbraw/zinc/37/45/08/556374508.db2.gz IHCGFOCQGLPBIG-UHFFFAOYSA-N 0 0 463.581 1.568 50 0 JDAARN COc1ccc(CCN[C@H]2CS(=O)(=O)C[C@@H]2S(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000019797021 556374816 /nfs/dbraw/zinc/37/48/16/556374816.db2.gz RTIZJXKBHQPGML-RXVVDRJESA-N 0 0 453.582 1.784 50 0 JDAARN CCOC(=O)N1CCC(N[C@H]2CS(=O)(=O)C[C@@H]2S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000019797273 556374890 /nfs/dbraw/zinc/37/48/90/556374890.db2.gz RVYUFSCHFZUTOA-IRXDYDNUSA-N 0 0 464.993 1.490 50 0 JDAARN COc1ccc(-c2cc(C(=O)NCC(C)(C)N3CCOCC3)nn2[C@H]2CCS(=O)(=O)C2)cc1 ZINC000019797490 556375462 /nfs/dbraw/zinc/37/54/62/556375462.db2.gz OJIAXVBVJXPGQY-SFHVURJKSA-N 0 0 476.599 1.759 50 0 JDAARN COc1ccc(-c2cc(C(=O)NCC(C)(C)N3CCOCC3)nn2[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000019797489 556375484 /nfs/dbraw/zinc/37/54/84/556375484.db2.gz OJIAXVBVJXPGQY-GOSISDBHSA-N 0 0 476.599 1.759 50 0 JDAARN Cc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)NC[C@@H](c1ccco1)N1CCOCC1 ZINC000019818976 556386948 /nfs/dbraw/zinc/38/69/48/556386948.db2.gz CFNSVBKRYFRPDV-KRWDZBQOSA-N 0 0 483.568 1.006 50 0 JDAARN Cc1cccc([C@@H](CNC(=O)c2cccc(N3C(=O)CCS3(=O)=O)c2)N2CCOCC2)c1 ZINC000019819095 556387300 /nfs/dbraw/zinc/38/73/00/556387300.db2.gz CJIOIMAOICWNBU-OAQYLSRUSA-N 0 0 457.552 1.865 50 0 JDAARN COc1ccc([C@@H]2CC(=O)c3cnc4nc(N5CCC(C(N)=O)CC5)[nH]c(=O)c4c3C2)c(OC)c1 ZINC000030903360 556387769 /nfs/dbraw/zinc/38/77/69/556387769.db2.gz WPBMHKFBAAXQHT-AWEZNQCLSA-N 0 0 477.521 1.950 50 0 JDAARN CS(=O)(=O)N1CC[C@@H](C(=O)Nc2ccccc2C(=O)N2CCOCC2)Oc2ccccc21 ZINC000030939933 556388390 /nfs/dbraw/zinc/38/83/90/556388390.db2.gz OHWQEJOEJLSYCJ-FQEVSTJZSA-N 0 0 459.524 1.715 50 0 JDAARN CCOc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CS[C@@]4(C)CCC(=O)N34)CC2)cc1 ZINC000030963415 556390066 /nfs/dbraw/zinc/39/00/66/556390066.db2.gz ISLANNVSVFUNSO-XLIONFOSSA-N 0 0 453.586 1.372 50 0 JDAARN COc1cccc(NC(=O)CN(C)C(=O)CN2C(=O)N[C@](C)(c3ccc(F)c(F)c3)C2=O)c1 ZINC000030972461 556390294 /nfs/dbraw/zinc/39/02/94/556390294.db2.gz HFDCCZLPNGHNSP-JOCHJYFZSA-N 0 0 460.437 1.838 50 0 JDAARN COc1ccc(-c2noc(CN3CCC(C(=O)NCCCN4CCOCC4)CC3)n2)cc1OC ZINC000030981560 556390602 /nfs/dbraw/zinc/39/06/02/556390602.db2.gz QYFPDHJRRYMFRM-UHFFFAOYSA-N 0 0 473.574 1.804 50 0 JDAARN CCOc1ccc(NC(=O)C(=O)NCCN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 ZINC000019831166 556398324 /nfs/dbraw/zinc/39/83/24/556398324.db2.gz HIBCOKBOBBRNMT-UHFFFAOYSA-N 0 0 474.583 1.455 50 0 JDAARN C[C@@H]1NC(C(=O)N2CCN(CC(=O)Nc3ccccc3Cl)CC2)=NN(c2ccccc2)C1=O ZINC000031545550 556399105 /nfs/dbraw/zinc/39/91/05/556399105.db2.gz USBIJJPINVFQFY-INIZCTEOSA-N 0 0 468.945 1.761 50 0 JDAARN COc1ccc(C(=O)N2CCC(C(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)cc1S(=O)(=O)NC1CC1 ZINC000031713651 556402407 /nfs/dbraw/zinc/40/24/07/556402407.db2.gz BNNXIHIPHDXDSO-HOTGVXAUSA-N 0 0 479.599 1.624 50 0 JDAARN O=S(=O)(c1cccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000031772829 556403289 /nfs/dbraw/zinc/40/32/89/556403289.db2.gz BPZIKZPPAOWLPS-NRFANRHFSA-N 0 0 498.648 1.154 50 0 JDAARN O=S(=O)(c1cccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000031772832 556403297 /nfs/dbraw/zinc/40/32/97/556403297.db2.gz RBFXZCKBBPRJML-HXUWFJFHSA-N 0 0 484.621 1.158 50 0 JDAARN O=S(=O)(Nc1c(F)cccc1F)c1cccc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)c1 ZINC000031773071 556403815 /nfs/dbraw/zinc/40/38/15/556403815.db2.gz JGVYNDXSQKBUPS-ZDUSSCGKSA-N 0 0 451.494 1.726 50 0 JDAARN O=S(=O)(Nc1ccc2c(c1)OCCO2)c1cccc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)c1 ZINC000031773043 556403818 /nfs/dbraw/zinc/40/38/18/556403818.db2.gz LQTQPLOFCIVPKZ-INIZCTEOSA-N 0 0 473.550 1.219 50 0 JDAARN O=S(=O)(Nc1c(F)cccc1F)c1cccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000031773068 556403824 /nfs/dbraw/zinc/40/38/24/556403824.db2.gz JGVYNDXSQKBUPS-CYBMUJFWSA-N 0 0 451.494 1.726 50 0 JDAARN COc1ccc(N2C[C@@H](C(=O)NCC(=O)N3CCN(Cc4ccccc4)CC3)CC2=O)cc1 ZINC000031808707 556405595 /nfs/dbraw/zinc/40/55/95/556405595.db2.gz QSZYKUJUFDWHBS-FQEVSTJZSA-N 0 0 450.539 1.509 50 0 JDAARN COC(=O)C[C@H](NC(=O)N1CCc2[nH]cnc2[C@@H]1c1ccc(Br)cc1)C(=O)OC ZINC000031811208 556406501 /nfs/dbraw/zinc/40/65/01/556406501.db2.gz KKFYYBMTFUVOEY-YOEHRIQHSA-N 0 0 465.304 1.934 50 0 JDAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3C(=O)c4ccccc4N4C(=O)CC[C@@]43C)CC2)cc1 ZINC000031877133 556409254 /nfs/dbraw/zinc/40/92/54/556409254.db2.gz OKIVMEYFXYDMKV-RUZDIDTESA-N 0 0 496.589 1.827 50 0 JDAARN Cn1c(=O)c2ccc(C(=O)NC[C@@H](c3c(F)cccc3Cl)N3CCCC3)nc2n(C)c1=O ZINC000031890434 556409359 /nfs/dbraw/zinc/40/93/59/556409359.db2.gz YEERRDYEBZKZRD-KRWDZBQOSA-N 0 0 459.909 1.992 50 0 JDAARN CN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)Cc2ccccc2)CC1 ZINC000031956769 556411935 /nfs/dbraw/zinc/41/19/35/556411935.db2.gz KQIGESIHWBOWKL-UHFFFAOYSA-N 0 0 458.584 1.641 50 0 JDAARN COc1cc2ncn(CC(=O)N[C@@H](CCSC)C(=O)Nc3cccc(O)c3)c(=O)c2cc1OC ZINC000032124129 556426649 /nfs/dbraw/zinc/42/66/49/556426649.db2.gz SJASOPOFXITMSP-KRWDZBQOSA-N 0 0 486.550 1.996 50 0 biogenic JDAARN CC[C@@H](C)[C@H](NC(=O)Cn1cnc2cc(OC)c(OC)cc2c1=O)C(=O)NCc1cccnc1 ZINC000032124092 556426650 /nfs/dbraw/zinc/42/66/50/556426650.db2.gz HNSXFCWLRGLQIV-QRQCRPRQSA-N 0 0 467.526 1.656 50 0 biogenic JDAARN COc1cc2ncn(CC(=O)N[C@@H](CCSC)C(=O)Nc3nccs3)c(=O)c2cc1OC ZINC000032124169 556426869 /nfs/dbraw/zinc/42/68/69/556426869.db2.gz ADFRWIASMPPSOQ-ZDUSSCGKSA-N 0 0 477.568 1.747 50 0 biogenic JDAARN COc1cc2ncn(CC(=O)N[C@@H](CCSC)C(=O)NCc3ccco3)c(=O)c2cc1OC ZINC000032124388 556426966 /nfs/dbraw/zinc/42/69/66/556426966.db2.gz YLOQDQWSUFNPHK-INIZCTEOSA-N 0 0 474.539 1.561 50 0 biogenic JDAARN COc1ccc(-n2cnnc2SCC(=O)NCCCN2CCN(c3ncccn3)CC2)cc1 ZINC000032334168 556434660 /nfs/dbraw/zinc/43/46/60/556434660.db2.gz WGHJIPKABARBBO-UHFFFAOYSA-N 0 0 468.587 1.487 50 0 JDAARN CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1n1nc(-c2ccccc2Cl)n(C2CC2)c1=S ZINC000032594344 556448501 /nfs/dbraw/zinc/44/85/01/556448501.db2.gz PCDJBEMWGNRLJW-XSDHEKCYSA-N 0 0 454.936 1.186 50 0 biogenic JDAARN NC(=O)COc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000032622069 556451292 /nfs/dbraw/zinc/45/12/92/556451292.db2.gz UOQPIYCPNIULRM-HSZRJFAPSA-N 0 0 477.517 1.925 50 0 JDAARN CC(C)n1c(=O)[nH]c2cc(C(=O)N3CCN(Cc4nc(N)c5ccccc5n4)CC3)ccc2c1=O ZINC000032635630 556457150 /nfs/dbraw/zinc/45/71/50/556457150.db2.gz GYJBWTILUDDCQZ-UHFFFAOYSA-N 0 0 473.537 1.754 50 0 JDAARN CCN(C(=O)COC(=O)Cc1ccc(C)c(C)c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000032666612 556466992 /nfs/dbraw/zinc/46/69/92/556466992.db2.gz UFKHFAIXVZCGNR-UHFFFAOYSA-N 0 0 464.522 1.923 50 0 JDAARN C[C@@H](OC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000032669964 556467669 /nfs/dbraw/zinc/46/76/69/556467669.db2.gz CYJSUHQSFUUGGT-DGCLKSJQSA-N 0 0 473.454 1.324 50 0 JDAARN C[C@H](OC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000032669978 556467674 /nfs/dbraw/zinc/46/76/74/556467674.db2.gz MLALQQNLAOCSPV-FZMZJTMJSA-N 0 0 475.445 1.741 50 0 JDAARN 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459.547 1.393 50 0 JDAARN COc1ccc(N2C(=O)C[C@H](Nc3cc(S(=O)(=O)N(C)C)ccc3OC)C2=O)c(OC)c1 ZINC000103292993 569834291 /nfs/dbraw/zinc/83/42/91/569834291.db2.gz ZJEBAJMNKMJDJT-INIZCTEOSA-N 0 0 463.512 1.707 50 0 JDAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000103364975 569834830 /nfs/dbraw/zinc/83/48/30/569834830.db2.gz CTUVMHLHFQUJSO-KZNAEPCWSA-N 0 0 462.572 1.159 50 0 JDAARN COc1ccc(S(=O)(=O)N2CCN(C(=O)C[C@@H]3C(=O)C[C@@H](C)[C@@H]3C[N+](=O)[O-])CC2)cc1OC ZINC000103496220 569835369 /nfs/dbraw/zinc/83/53/69/569835369.db2.gz HBSQEJRKWLBRRS-PVAVHDDUSA-N 0 0 483.543 1.045 50 0 JDAARN CCCS(=O)(=O)N1CCN(Cc2cc(=O)n3nc(-c4ccc(OC)cc4)sc3n2)CC1 ZINC000041085913 569837091 /nfs/dbraw/zinc/83/70/91/569837091.db2.gz NWRNHNSCZNJUMW-UHFFFAOYSA-N 0 0 463.585 1.684 50 0 JDAARN Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CN(C)CN1C(=O)N[C@H](Cc2ccccc2)C1=O ZINC000104017585 569839860 /nfs/dbraw/zinc/83/98/60/569839860.db2.gz OONUYNIVQBDASG-AZUAARDMSA-N 0 0 459.572 1.412 50 0 JDAARN CC(=O)N[C@@H]1[C@H](O)[C@H](O)[C@@H](CO)O[C@@H]1n1nc(-c2ccccc2)n(-c2ccccc2)c1=S ZINC000104195337 569842795 /nfs/dbraw/zinc/84/27/95/569842795.db2.gz OPAVXZAAPPZDMP-TYZHSBRISA-N 0 0 456.524 1.186 50 0 JDAARN CC(=O)N[C@H]1[C@H](n2nc(-c3ccccc3Cl)n(-c3ccccc3)c2=S)O[C@H](CO)[C@@H](O)[C@H]1O ZINC000104195361 569842850 /nfs/dbraw/zinc/84/28/50/569842850.db2.gz LOTOICNGVBFNOO-BKZNIZDZSA-N 0 0 490.969 1.840 50 0 JDAARN COc1ccc(C(=O)O[C@H](C)C(=O)N2CCNC2=O)cc1S(=O)(=O)N[C@@H]1CCCC[C@H]1C ZINC000104806521 569846434 /nfs/dbraw/zinc/84/64/34/569846434.db2.gz PBPQJNFJMVQFSY-IIAWOOMASA-N 0 0 467.544 1.649 50 0 JDAARN Cc1nnsc1C(=O)N1CCC(CNC(=O)C(=O)Nc2ccc(C)c(N3CCCC3=O)c2)CC1 ZINC000049523279 569848264 /nfs/dbraw/zinc/84/82/64/569848264.db2.gz INWUTPPOOQBOPK-UHFFFAOYSA-N 0 0 484.582 1.889 50 0 JDAARN O=C(CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O)N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000049574115 569848803 /nfs/dbraw/zinc/84/88/03/569848803.db2.gz KIODUFURSGRUCI-KNQAVFIVSA-N 0 0 494.573 1.847 50 0 JDAARN COc1ccc(N2C[C@@H](C(=O)N3CCN(C(=O)[C@H]4COc5ccccc5O4)CC3)CC2=O)c(OC)c1 ZINC000049580873 569848862 /nfs/dbraw/zinc/84/88/62/569848862.db2.gz CQQNFMLYPINUQT-GAJHUEQPSA-N 0 0 495.532 1.568 50 0 JDAARN COC(=O)C1C(CN2CC(=O)N(CCc3ccccc3)C(=O)C2)=NC(=O)N[C@@H]1c1ccc(C)cc1 ZINC000051318424 569851770 /nfs/dbraw/zinc/85/17/70/569851770.db2.gz SMCLCZOXQQUBIP-XMMPIXPASA-N 0 0 476.533 1.690 50 0 JDAARN CCN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)OCC(=O)NCCCOC)cn3C2CC2)CC1 ZINC000051364307 569852206 /nfs/dbraw/zinc/85/22/06/569852206.db2.gz BOTLPTGXGJJQQT-UHFFFAOYSA-N 0 0 488.560 1.927 50 0 JDAARN O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1O)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000105291805 569852797 /nfs/dbraw/zinc/85/27/97/569852797.db2.gz HWASVDOXGGQFIQ-UHFFFAOYSA-N 0 0 465.553 1.969 50 0 JDAARN COc1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)[C@H]([C@H](C)O)N[C@@]32C(=O)Nc3ccc(Cl)cc32)cc1 ZINC000105377207 569852958 /nfs/dbraw/zinc/85/29/58/569852958.db2.gz WDHLJWGPWDLVFW-GRQPQKDCSA-N 0 0 455.898 1.650 50 0 biogenic JDAARN Cc1cc2c(c(Cl)c1)NC(=O)[C@@]21N[C@H]([C@H](C)O)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000105381899 569853034 /nfs/dbraw/zinc/85/30/34/569853034.db2.gz RABFXJCHUUYKPR-UEHPCVTFSA-N 0 0 453.926 1.992 50 0 biogenic JDAARN Cc1cc2c(cc1S(=O)(=O)N1CCC[C@@H](C(=O)NCc3cccnc3)C1)O[C@@H](C)C(=O)N2 ZINC000106303849 569853897 /nfs/dbraw/zinc/85/38/97/569853897.db2.gz GKLKVWQNDUGHKE-DOTOQJQBSA-N 0 0 458.540 1.827 50 0 JDAARN C[C@@H](Cc1ccco1)NC(=O)CN1c2cc(S(=O)(=O)N(C)C)ccc2N2CCCC[C@H]2C1=O ZINC000106348452 569854013 /nfs/dbraw/zinc/85/40/13/569854013.db2.gz SHXOEZQIZIVEDT-JXFKEZNVSA-N 0 0 474.583 1.983 50 0 JDAARN COc1ccc(O[C@@H]2O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)cc1 ZINC000106383528 569854176 /nfs/dbraw/zinc/85/41/76/569854176.db2.gz RPHXBVOPPUTUES-JRSUCEMESA-N 0 0 454.428 1.157 50 0 biogenic JDAARN COc1ccc(OC)c(N2C(=O)[C@@H]3SC(N)=C4C(=O)Oc5cc(O)ccc5[C@@H]4[C@@H]3C2=O)c1 ZINC000107167824 569856233 /nfs/dbraw/zinc/85/62/33/569856233.db2.gz YVAISEJIQGBIRF-SOLBZPMBSA-N 0 0 454.460 1.887 50 0 JDAARN COc1ccc(OC)c(N2C(=O)[C@@H]3SC(N)=C4C(=O)Oc5cc(O)ccc5[C@@H]4[C@H]3C2=O)c1 ZINC000107167827 569856242 /nfs/dbraw/zinc/85/62/42/569856242.db2.gz YVAISEJIQGBIRF-JFIYKMOQSA-N 0 0 454.460 1.887 50 0 JDAARN CNC(=O)c1ccc(OC)c(N2C(=O)[C@@H]3SC(N)=C4C(=O)Oc5ccccc5[C@@H]4[C@@H]3C2=O)c1 ZINC000107426520 569856453 /nfs/dbraw/zinc/85/64/53/569856453.db2.gz WTJWQWIBOHNIMW-SOLBZPMBSA-N 0 0 465.487 1.533 50 0 JDAARN CNC(=O)c1ccc(N2C(=O)[C@@H]3SC(N)=C4C(=O)Oc5c(OC)cccc5[C@@H]4[C@H]3C2=O)cc1 ZINC000107425380 569856471 /nfs/dbraw/zinc/85/64/71/569856471.db2.gz REXNQECAGLTLRP-IIDMSEBBSA-N 0 0 465.487 1.533 50 0 JDAARN CCOC(=O)C1=C(COC(=O)CCN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)NC(=O)N[C@@H]1c1ccccc1 ZINC000108838262 569859695 /nfs/dbraw/zinc/85/96/95/569859695.db2.gz PHOABRGESCXRAO-CBGDNZLLSA-N 0 0 481.505 1.742 50 0 JDAARN COc1ccc2c(c1)N1CCN(CC(=O)N3CCOCC3)C[C@@H]1[C@@H](C(=O)NCc1cccc(F)c1)C2 ZINC000169677446 569868577 /nfs/dbraw/zinc/86/85/77/569868577.db2.gz NNEALUWLKFKBNI-UKILVPOCSA-N 0 0 496.583 1.672 50 0 JDAARN COc1ccc2c(c1)N1CCN(c3cnccn3)C[C@@H]1[C@@H](C(=O)NCCCN1CCOCC1)C2 ZINC000169677601 569868821 /nfs/dbraw/zinc/86/88/21/569868821.db2.gz GDSGUDHBBYQVCM-JTHBVZDNSA-N 0 0 466.586 1.191 50 0 JDAARN COCCN(C[C@@H]1CN(C[C@@H](O)COCC(F)(F)C(F)F)CCO1)C(=O)c1ccc(OC)cc1 ZINC000169678746 569869321 /nfs/dbraw/zinc/86/93/21/569869321.db2.gz RKVAJMYLPLOLGU-MJGOQNOKSA-N 0 0 496.498 1.763 50 0 JDAARN O=C(c1ccccc1)N(CCN1CCOCC1)C[C@H]1CN(C[C@@H](O)Cc2ccccc2)CCO1 ZINC000169680478 569870422 /nfs/dbraw/zinc/87/04/22/569870422.db2.gz MPGCBOVYJCOEFL-IZZNHLLZSA-N 0 0 467.610 1.765 50 0 JDAARN COCCN(C[C@H]1CN(C[C@@H](O)COc2ccc(OC)cc2)CCO1)C(=O)c1ccccc1 ZINC000169680463 569870442 /nfs/dbraw/zinc/87/04/42/569870442.db2.gz PWJMBXGUINLTLI-ZJSXRUAMSA-N 0 0 458.555 1.925 50 0 JDAARN COCCN(C[C@H]1CN(C[C@@H](O)COCC(F)(F)C(F)F)CCO1)C(=O)c1ccccc1 ZINC000169680682 569870654 /nfs/dbraw/zinc/87/06/54/569870654.db2.gz XPABNFIPNMNBTP-QZTJIDSGSA-N 0 0 466.472 1.754 50 0 JDAARN CC[C@@H]1Oc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)N4CCN(C)CC4)C3)c(C)cc2NC1=O ZINC000169683937 569871221 /nfs/dbraw/zinc/87/12/21/569871221.db2.gz HNCWXEDMGLDJNI-AEFFLSMTSA-N 0 0 464.588 1.279 50 0 JDAARN CC[C@@H]1Oc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)NC[C@@H]4CCCO4)C3)c(C)cc2NC1=O ZINC000169683939 569871245 /nfs/dbraw/zinc/87/12/45/569871245.db2.gz YZTBZMTVGIAOBF-RYRKJORJSA-N 0 0 465.572 1.800 50 0 JDAARN COc1ccc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc3c(c2)NC(=O)[C@@H](C)O3)cc1 ZINC000169684185 569871333 /nfs/dbraw/zinc/87/13/33/569871333.db2.gz HBDXXXAGTOZKEF-KUHUBIRLSA-N 0 0 459.524 1.884 50 0 JDAARN Cc1ccc(OC[C@@H](O)Cn2c(Nc3ccc(O)cc3)nc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000170624447 569873261 /nfs/dbraw/zinc/87/32/61/569873261.db2.gz INYOXZZGMJYGPO-KRWDZBQOSA-N 0 0 451.483 1.631 50 0 JDAARN O=C(NCCc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@H](Cc1ccccc1)n1cnnn1 ZINC000170625348 569873419 /nfs/dbraw/zinc/87/34/19/569873419.db2.gz IRRWAOYUIMFFEZ-NRFANRHFSA-N 0 0 454.556 1.600 50 0 JDAARN COc1ccc(COC(=O)[C@@H]2N3C(=O)[C@H](NC(=O)Cc4ccccc4)[C@H]3[S@@](=O)C2(C)C)cc1 ZINC000197675308 569873753 /nfs/dbraw/zinc/87/37/53/569873753.db2.gz HSSBYPUKMZQQKS-MFTSXEBTSA-N 0 0 470.547 1.544 50 0 JDAARN COC(=O)C(=O)C(C(=O)c1ccncc1)=c1[nH]c2nnc(NC(=O)Nc3ccc(Cl)cc3)n2c1=O ZINC000198720711 569873863 /nfs/dbraw/zinc/87/38/63/569873863.db2.gz JCAPONRHZVMLMI-CYBMUJFWSA-N 0 0 495.839 1.938 50 0 JDAARN COc1ccc(CN2C(=O)N[C@H](CCC(=O)N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C2=O)cc1 ZINC000206231147 569874598 /nfs/dbraw/zinc/87/45/98/569874598.db2.gz AQIXMYFTGDVUQL-WSTZPKSXSA-N 0 0 464.522 1.703 50 0 JDAARN COc1ccc(CN2C(=O)N[C@H](CC(=O)N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C2=O)cc1OC ZINC000206231595 569874618 /nfs/dbraw/zinc/87/46/18/569874618.db2.gz WURBQSRYOZIRPJ-FGTMMUONSA-N 0 0 480.521 1.322 50 0 JDAARN COc1ccc(CCN2C(=O)N[C@H](CCC(=O)N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C2=O)cc1 ZINC000206235405 569874640 /nfs/dbraw/zinc/87/46/40/569874640.db2.gz ZKFZEZFLRUPBHV-SVFBPWRDSA-N 0 0 478.549 1.746 50 0 JDAARN COc1ccc(CCN2C(=O)N[C@H](CC(=O)N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C2=O)cc1 ZINC000206247700 569874672 /nfs/dbraw/zinc/87/46/72/569874672.db2.gz HGWJIRWBIRIVAA-WSTZPKSXSA-N 0 0 464.522 1.356 50 0 JDAARN CC(C)S(=O)(=O)c1ccc(CC(=O)NCCn2nc(-c3cccnc3)n(C3CC3)c2=O)cc1 ZINC000206638159 569874738 /nfs/dbraw/zinc/87/47/38/569874738.db2.gz PPUSZAAUBPXEHJ-UHFFFAOYSA-N 0 0 469.567 1.983 50 0 JDAARN CC[C@@H](C)[C@@H](NC(=O)CNC(=O)COc1ccc2c(C)cc(=O)oc2c1C)C(=O)NC(C)C ZINC000208174212 569874831 /nfs/dbraw/zinc/87/48/31/569874831.db2.gz ZKZIHEXWGKVZLR-JLCFBVMHSA-N 0 0 459.543 1.960 50 0 JDAARN Cc1ccc(S(=O)(=O)NCC2CCC(C(=O)N[C@@H](C)C(=O)NCCN3CCOCC3)CC2)cc1 ZINC000209156666 569875926 /nfs/dbraw/zinc/87/59/26/569875926.db2.gz FUAZFSVPEHAFRL-MWXLCCTBSA-N 0 0 494.658 1.033 50 0 JDAARN COc1ccc(CCN2C(=O)N[C@@H](CC(=O)N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C2=O)cc1OC ZINC000225412282 569995592 /nfs/dbraw/zinc/99/55/92/569995592.db2.gz GZEBKOKFJPLJMI-QYZOEREBSA-N 0 0 494.548 1.364 50 0 biogenic JDAARN COC(=O)c1ccc(OC)c(N2C(=O)[C@@H]3SC(N)=C4C(=O)Oc5c(OC)cccc5[C@H]4[C@@H]3C2=O)c1 ZINC000226898692 570039224 /nfs/dbraw/zinc/03/92/24/570039224.db2.gz ZUXBWOKXELQEJF-TXPKVOOTSA-N 0 0 496.497 1.968 50 0 JDAARN COc1ccc(C(N)=O)cc1N1C(=O)[C@@H]2SC(N)=C3C(=O)Oc4ccccc4[C@H]3[C@@H]2C1=O ZINC000226896402 570039375 /nfs/dbraw/zinc/03/93/75/570039375.db2.gz UYUCFVCBNUSUOY-YQQAZPJKSA-N 0 0 451.460 1.272 50 0 JDAARN Cc1cc(NC(=O)[C@H](C)OC(=O)c2cccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)c2)no1 ZINC000229572463 570040563 /nfs/dbraw/zinc/04/05/63/570040563.db2.gz BKHZOUVVJWALIJ-KKUMJFAQSA-N 0 0 451.501 1.965 50 0 JDAARN O=C1Nc2ccc(Br)cc2[C@]12[C@H]1C(=O)N(C[C@@H]3CCCO3)C(=O)[C@@H]1[C@@H]1CCCN12 ZINC000229669068 570040980 /nfs/dbraw/zinc/04/09/80/570040980.db2.gz QXYVMUHKWBRZGT-XNFFJXRASA-N 0 0 460.328 1.855 50 0 JDAARN COc1ccc(CCN2C(=O)NC(=O)[C@]3(Cc4ccccc4N4CCOC[C@H]43)C2=O)cc1OC ZINC000229961767 570042714 /nfs/dbraw/zinc/04/27/14/570042714.db2.gz VIVTYDAVBLUEPY-SQJMNOBHSA-N 0 0 465.506 1.977 50 0 biogenic 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/nfs/dbraw/zinc/15/54/96/195155496.db2.gz VFPZVHMCQURRIV-INIZCTEOSA-N 0 0 463.581 1.951 50 0 JDAARN Cc1[nH]c(=O)sc1S(=O)(=O)N1CCN(C(=O)CCC(=O)c2ccc3c(c2)OCCCO3)CC1 ZINC000012852605 195155536 /nfs/dbraw/zinc/15/55/36/195155536.db2.gz NIJCRDWPJGVCEI-UHFFFAOYSA-N 0 0 495.579 1.402 50 0 JDAARN O=C(C[C@@H]1Sc2ccccc2NC1=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000012855392 195157069 /nfs/dbraw/zinc/15/70/69/195157069.db2.gz ZQYQPLIMONHLJK-INIZCTEOSA-N 0 0 467.594 1.888 50 0 JDAARN Cc1cc(=O)oc2cc(OCC(=O)N3CCN(C(=O)[C@@H]4COc5ccccc5O4)CC3)ccc12 ZINC000012855530 195157266 /nfs/dbraw/zinc/15/72/66/195157266.db2.gz KTWFXIFKIBGVNZ-QFIPXVFZSA-N 0 0 464.474 1.991 50 0 biogenic JDAARN Cc1cccc(-n2nnnc2SCC(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)c1C ZINC000012855561 195157344 /nfs/dbraw/zinc/15/73/44/195157344.db2.gz NPOPJYNBUUHGJQ-OAQYLSRUSA-N 0 0 494.577 1.882 50 0 JDAARN Cc1ccc(-c2nnc(SCC(=O)N3CCN(C(=O)[C@H]4COc5ccccc5O4)CC3)n2N)cc1 ZINC000012855545 195157391 /nfs/dbraw/zinc/15/73/91/195157391.db2.gz BBBLOGAHIJPQSE-HXUWFJFHSA-N 0 0 494.577 1.570 50 0 JDAARN O=C(NC1CC1)c1cccc(NC(=O)c2cc(=O)[nH]c3ccc(S(=O)(=O)N4CCOCC4)cc32)c1 ZINC000012858994 195158797 /nfs/dbraw/zinc/15/87/97/195158797.db2.gz WGKNBQFKRAUGIH-UHFFFAOYSA-N 0 0 496.545 1.694 50 0 JDAARN Cc1nnc(SCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC(C)C)n1C ZINC000012866228 195161525 /nfs/dbraw/zinc/16/15/25/195161525.db2.gz UKRRTNPWAHZRSL-UHFFFAOYSA-N 0 0 469.589 1.662 50 0 JDAARN CC(C)c1ccccc1OC[C@@H](O)CN1CCN(S(=O)(=O)c2ccc(C(N)=O)cc2)CC1 ZINC000012867096 195161845 /nfs/dbraw/zinc/16/18/45/195161845.db2.gz NFXNXQYSBVHLNL-IBGZPJMESA-N 0 0 461.584 1.655 50 0 JDAARN Cc1onc(-c2ccccc2)c1C(=O)OCC(=O)N(C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000012867617 195162123 /nfs/dbraw/zinc/16/21/23/195162123.db2.gz BTFQEQWINILQLA-UHFFFAOYSA-N 0 0 489.488 1.950 50 0 JDAARN Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)CN3C(=O)NC4(CCCC4)C3=O)CC2)c(C)c1 ZINC000012868110 195162469 /nfs/dbraw/zinc/16/24/69/195162469.db2.gz KXMXXIXBNURUHE-UHFFFAOYSA-N 0 0 462.572 1.309 50 0 JDAARN Cc1ccccc1-n1nnnc1SCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000012869495 195162887 /nfs/dbraw/zinc/16/28/87/195162887.db2.gz UYAASSNNHKHODK-UHFFFAOYSA-N 0 0 476.559 1.735 50 0 JDAARN COCCN(C(=O)CSc1nnc(-c2cccc(C)c2)o1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000012869704 195162910 /nfs/dbraw/zinc/16/29/10/195162910.db2.gz VENRTFUKFHCKLO-UHFFFAOYSA-N 0 0 488.570 1.905 50 0 JDAARN CC(=O)Nc1cc(NC(C)=O)cc(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)c1 ZINC000012869980 195163202 /nfs/dbraw/zinc/16/32/02/195163202.db2.gz SNGSJQNRJWBIBJ-UHFFFAOYSA-N 0 0 480.568 1.616 50 0 JDAARN Cc1nn([C@H](C)C(=O)N[C@@H]2CCS(=O)(=O)C2)c(C)c1S(=O)(=O)N1CCc2ccccc21 ZINC000012872450 195164097 /nfs/dbraw/zinc/16/40/97/195164097.db2.gz XJPMASBKQSKYFH-NVXWUHKLSA-N 0 0 466.585 1.116 50 0 JDAARN CCOC(=O)N1CCN(C(=O)CSc2nnc(-c3cn(CC)nc3OCC)n2CC)CC1 ZINC000012873933 195164843 /nfs/dbraw/zinc/16/48/43/195164843.db2.gz WQMMXLFZFSZSOE-UHFFFAOYSA-N 0 0 465.580 1.973 50 0 JDAARN CN(C)S(=O)(=O)c1ccc(C(=O)NC(=O)CSc2nnc(NC[C@H]3CCCO3)s2)cc1 ZINC000012876589 195166310 /nfs/dbraw/zinc/16/63/10/195166310.db2.gz NBQYOHCHJWDYLF-CYBMUJFWSA-N 0 0 485.613 1.428 50 0 JDAARN COCCN(C(=O)COC(=O)c1cccnc1Cl)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000012876756 195166582 /nfs/dbraw/zinc/16/65/82/195166582.db2.gz LHEOOTARYOKOOH-UHFFFAOYSA-N 0 0 487.900 1.052 50 0 JDAARN CCCCn1c(N)c(N(CCOC)C(=O)CCCc2nc3ccccc3c(=O)[nH]2)c(=O)[nH]c1=O ZINC000012877336 195166852 /nfs/dbraw/zinc/16/68/52/195166852.db2.gz DDJVJOZVEHMYRO-UHFFFAOYSA-N 0 0 470.530 1.158 50 0 JDAARN CCCCN(C(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000012880329 195168275 /nfs/dbraw/zinc/16/82/75/195168275.db2.gz BRZFCYRSQAPDMA-ROUUACIJSA-N 0 0 481.553 1.475 50 0 JDAARN COc1ccc(CC(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)c(OC)c1OC ZINC000012882612 195169160 /nfs/dbraw/zinc/16/91/60/195169160.db2.gz QWDMFZORWYJNJY-UHFFFAOYSA-N 0 0 464.540 1.592 50 0 JDAARN CCOc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)NC(=O)C(C)(C)C)CC2)cc1OCC ZINC000012889018 195171876 /nfs/dbraw/zinc/17/18/76/195171876.db2.gz HOXDUTBLGIOYJM-INIZCTEOSA-N 0 0 469.604 1.868 50 0 JDAARN C[C@H](O)[C@@H](NC(=O)C[C@@H](CNC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)c1ccc(Cl)cc1)C(=O)[O-] ZINC000012891600 195173362 /nfs/dbraw/zinc/17/33/62/195173362.db2.gz USOKXTYKLYYGSR-BNZCSOIGSA-N 0 0 473.957 1.595 50 0 biogenic JDAARN CC[C@@H](C)[C@H](NC(=O)c1cn(CC)c2cc3c(cc2c1=O)OCO3)C(=O)NCCOCCO ZINC000012892857 195173980 /nfs/dbraw/zinc/17/39/80/195173980.db2.gz JXTZLIHQJQDAQC-VLIAUNLRSA-N 0 0 461.515 1.020 50 0 biogenic JDAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)OCCN2C(=O)c3ccccc3S2(=O)=O)cc1 ZINC000012893894 195174332 /nfs/dbraw/zinc/17/43/32/195174332.db2.gz XJXHEDYZJDWDAG-UHFFFAOYSA-N 0 0 466.537 1.719 50 0 JDAARN C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000012896515 195175364 /nfs/dbraw/zinc/17/53/64/195175364.db2.gz LVTRPLCEBDGODQ-NSHDSACASA-N 0 0 469.976 1.905 50 0 JDAARN NC(=O)NC(=O)COC(=O)CCc1nc2sc3c(c2c(=O)n1C[C@H]1CCCO1)CCCC3 ZINC000012863204 195160234 /nfs/dbraw/zinc/16/02/34/195160234.db2.gz JTCYIVBTVOVFMA-GFCCVEGCSA-N 0 0 462.528 1.187 50 0 JDAARN C[C@]1(c2ccc3c(c2)CCC3)NC(=O)N(CC(=O)N(Cc2ccco2)[C@@H]2CCS(=O)(=O)C2)C1=O ZINC000012863657 195160456 /nfs/dbraw/zinc/16/04/56/195160456.db2.gz NIGRIWAJQXXSQC-NTKDMRAZSA-N 0 0 485.562 1.751 50 0 JDAARN Cc1ccc(NC(=O)CN2C(=O)N[C@H](Cc3ccccc3)C2=O)cc1S(=O)(=O)N1CCOCC1 ZINC000012865703 195161222 /nfs/dbraw/zinc/16/12/22/195161222.db2.gz XJKFTZDOEXPWQK-LJQANCHMSA-N 0 0 486.550 1.118 50 0 JDAARN O=C(CN1C(=O)N[C@]2(CCCCc3ccccc32)C1=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000012865037 195161269 /nfs/dbraw/zinc/16/12/69/195161269.db2.gz DCIRTALUPNXYOX-VWLOTQADSA-N 0 0 496.589 1.693 50 0 JDAARN C[C@@H](OC(=O)C1CCN(C(=O)Nc2ccccc2)CC1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000012865210 195161304 /nfs/dbraw/zinc/16/13/04/195161304.db2.gz IMSLYLYFBKDEEF-QAPCUYQASA-N 0 0 451.545 1.508 50 0 JDAARN CCCCNC(=O)CSc1nc2cc(C(=O)OC)ccc2c(=O)n1CCN1CCOCC1 ZINC000020643684 195194156 /nfs/dbraw/zinc/19/41/56/195194156.db2.gz MKYDICWNGKQEBR-UHFFFAOYSA-N 0 0 462.572 1.524 50 0 JDAARN CCOc1ccc(S(=O)(=O)NCCC(=O)NC[C@@H](c2ccc(OC)cc2)N2CCOCC2)cc1 ZINC000012901591 195177761 /nfs/dbraw/zinc/17/77/61/195177761.db2.gz IOUXGMCRVIXNJD-QHCPKHFHSA-N 0 0 491.610 1.952 50 0 JDAARN COCCN(C(=O)CSc1nnc(-c2ccccc2F)o1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000012902063 195177860 /nfs/dbraw/zinc/17/78/60/195177860.db2.gz OKFOUEIXIFDWMB-UHFFFAOYSA-N 0 0 492.533 1.736 50 0 JDAARN O=C(c1ccc(N2CCOCC2)nc1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000012902996 195178311 /nfs/dbraw/zinc/17/83/11/195178311.db2.gz SRPDOJDTHWPEHX-UHFFFAOYSA-N 0 0 450.948 1.718 50 0 JDAARN C[C@H](OC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000012904393 195178837 /nfs/dbraw/zinc/17/88/37/195178837.db2.gz RWWIEXVGTPPQTH-GUYCJALGSA-N 0 0 456.948 1.427 50 0 JDAARN Cn1c(=O)c2c(SCC(=O)Nc3ccc4c(c3)OCCO4)nc(C3CC3)nc2n(C)c1=O ZINC000020604929 195180621 /nfs/dbraw/zinc/18/06/21/195180621.db2.gz TWEDYTNJUYAZDV-UHFFFAOYSA-N 0 0 455.496 1.407 50 0 JDAARN O=C(c1cccc(S(=O)(=O)N2CCOCC2)c1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000020605433 195180770 /nfs/dbraw/zinc/18/07/70/195180770.db2.gz IUDYUEJTIJRFLM-UHFFFAOYSA-N 0 0 473.551 1.394 50 0 JDAARN COc1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)[C@H]([C@H](C)O)N[C@]32C(=O)Nc3ccc(Cl)cc32)cc1 ZINC000020610606 195183584 /nfs/dbraw/zinc/18/35/84/195183584.db2.gz WDHLJWGPWDLVFW-BWCBDTGESA-N 0 0 455.898 1.650 50 0 biogenic JDAARN COc1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)[C@H](CC(N)=O)N[C@]32c3cc(Cl)ccc3NC2=O)cc1 ZINC000020610967 195184279 /nfs/dbraw/zinc/18/42/79/195184279.db2.gz TULIUXKYVWOXJD-QYUDBREXSA-N 0 0 468.897 1.145 50 0 biogenic JDAARN COc1ccccc1CN1C(=O)[C@@H]2[C@H](C1=O)[C@H](CC(N)=O)N[C@]21c2cc(Cl)ccc2NC1=O ZINC000020611037 195184654 /nfs/dbraw/zinc/18/46/54/195184654.db2.gz QKFJHLVMRDNTRF-NSNOHRKYSA-N 0 0 468.897 1.145 50 0 biogenic JDAARN COc1ccccc1CN1C(=O)[C@@H]2[C@H](C1=O)[C@H](CC(N)=O)N[C@]21c2cc(C)cc(C)c2NC1=O ZINC000020611766 195186015 /nfs/dbraw/zinc/18/60/15/195186015.db2.gz UVLDJCCGURYQSV-KHTISZTLSA-N 0 0 462.506 1.108 50 0 biogenic JDAARN COc1ccc(CCn2c(=O)[nH]c3cc(C(=O)NCCCN4CCOCC4)ccc3c2=O)cc1OC ZINC000020616884 195188669 /nfs/dbraw/zinc/18/86/69/195188669.db2.gz LULLTNDUJFTZMM-UHFFFAOYSA-N 0 0 496.564 1.402 50 0 JDAARN CC1CCN(S(=O)(=O)c2ccc3[nH]c(=O)cc(C(=O)NCCCN4CCOCC4)c3c2)CC1 ZINC000020682224 195204162 /nfs/dbraw/zinc/20/41/62/195204162.db2.gz RZJYDXOBFSOROS-UHFFFAOYSA-N 0 0 476.599 1.401 50 0 JDAARN Cc1ccccc1CS(=O)(=O)C[C@H]1Nc2ccc(C(=O)NCCN3CCOCC3)cc2NC1=O ZINC000020680463 195204172 /nfs/dbraw/zinc/20/41/72/195204172.db2.gz HLPVBBPNPSMVTP-JOCHJYFZSA-N 0 0 486.594 1.405 50 0 JDAARN CCOC(=O)N1CCN(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccccc3OCC)C2)CC1 ZINC000020686865 195205134 /nfs/dbraw/zinc/20/51/34/195205134.db2.gz DHPXNTUXDUXNFL-LJQANCHMSA-N 0 0 482.603 1.432 50 0 JDAARN O=C(C1CCN(S(=O)(=O)N2CCC3(CC2)OCCO3)CC1)N1CCN(Cc2ccccc2)CC1 ZINC000020688732 195205568 /nfs/dbraw/zinc/20/55/68/195205568.db2.gz FCFPVAOERAXOCM-UHFFFAOYSA-N 0 0 492.642 1.127 50 0 JDAARN CN1CCN(C(=O)CN2CC[NH+]([C@@H](C(=O)[O-])c3c[nH]c4cc(Br)ccc43)CC2)CC1 ZINC000020720010 195206345 /nfs/dbraw/zinc/20/63/45/195206345.db2.gz WTHLHIUBCHTABR-HXUWFJFHSA-N 0 0 478.391 1.448 50 0 JDAARN CS(=O)(=O)N1CCN(C(=O)C2CCN(C(=O)c3cccc(Br)c3)CC2)CC1 ZINC000020719497 195206407 /nfs/dbraw/zinc/20/64/07/195206407.db2.gz MDTXGDMPJBGHAU-UHFFFAOYSA-N 0 0 458.378 1.405 50 0 JDAARN COc1cccc(N2CCN(C(=O)CC[C@@H]3NC(=O)N(Cc4ccc5c(c4)OCO5)C3=O)CC2)c1 ZINC000020723012 195206668 /nfs/dbraw/zinc/20/66/68/195206668.db2.gz DJRITVDTGGUTOF-FQEVSTJZSA-N 0 0 480.521 1.973 50 0 JDAARN COc1ccc(CC(=O)N2CCN(C(=O)[C@@H]3CC(=O)N(c4ccccc4)C3)CC2)cc1OC ZINC000020724422 195206895 /nfs/dbraw/zinc/20/68/95/195206895.db2.gz QHESPCIOYAYVOM-LJQANCHMSA-N 0 0 451.523 1.970 50 0 JDAARN CCOC(=O)c1ccc(NC(=O)CSCC(=O)Nc2csc3nc(=O)c(C)nn23)cc1 ZINC000020727791 195208473 /nfs/dbraw/zinc/20/84/73/195208473.db2.gz ZPPDYVSITGCNIE-UHFFFAOYSA-N 0 0 461.525 1.947 50 0 JDAARN COc1cc(OC)cc(-n2nc(C(=O)NCCCN3CCOCC3)c3ccccc3c2=O)c1 ZINC000020804625 195228305 /nfs/dbraw/zinc/22/83/05/195228305.db2.gz KUPOOBULUNINCZ-UHFFFAOYSA-N 0 0 452.511 1.855 50 0 JDAARN COc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3ccc4c(c3)OCCO4)CC2)cc1OC ZINC000020809458 195228969 /nfs/dbraw/zinc/22/89/69/195228969.db2.gz IFJBRKYRKLFSKZ-UHFFFAOYSA-N 0 0 477.539 1.420 50 0 JDAARN CCCN(C(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000020815647 195229331 /nfs/dbraw/zinc/22/93/31/195229331.db2.gz ROVHWZAMDHOMCS-KRWDZBQOSA-N 0 0 471.645 1.967 50 0 JDAARN COC(CNC(=O)c1cnc2ccc(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)cc2c1O)OC ZINC000020753932 195215613 /nfs/dbraw/zinc/21/56/13/195215613.db2.gz ZPSAUIBGALWFNA-OKILXGFUSA-N 0 0 451.545 1.543 50 0 JDAARN COc1c2c(cc3c1[C@H](c1nnnn1-c1ccc(C(=O)N4CCOCC4)cc1)N(C)CC3)OCO2 ZINC000020758564 195216974 /nfs/dbraw/zinc/21/69/74/195216974.db2.gz SMNYEZHJSZDGSY-HXUWFJFHSA-N 0 0 478.509 1.449 50 0 biogenic JDAARN CC1(C)CCc2c(cc(OCC(=O)N3CCN(CCO)CC3)c3c4c(c(=O)oc23)CCC4)O1 ZINC000020759696 195217407 /nfs/dbraw/zinc/21/74/07/195217407.db2.gz VUPLHOYYWADMEA-UHFFFAOYSA-N 0 0 456.539 1.901 50 0 biogenic JDAARN COc1ccc(CCNC(=O)CN(C)S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)cc1OC ZINC000020761991 195218185 /nfs/dbraw/zinc/21/81/85/195218185.db2.gz MPDJZSBTIIUHJR-UHFFFAOYSA-N 0 0 497.957 1.668 50 0 JDAARN COc1ccc(NC(=O)CN(C)S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)cc1OC ZINC000020761779 195218264 /nfs/dbraw/zinc/21/82/64/195218264.db2.gz LLEYBNXHNZCRNV-UHFFFAOYSA-N 0 0 469.903 1.947 50 0 JDAARN COc1ccccc1CNC(=O)CN(C)S(=O)(=O)c1cc2c(cc1Cl)NC(=O)CO2 ZINC000020761847 195218267 /nfs/dbraw/zinc/21/82/67/195218267.db2.gz QIBLAQJURKRJKU-UHFFFAOYSA-N 0 0 453.904 1.616 50 0 JDAARN COc1cc2ncn(CC(=O)N[C@H](C(=O)NCc3ccncc3)C(C)C)c(=O)c2cc1OC ZINC000020762635 195218649 /nfs/dbraw/zinc/21/86/49/195218649.db2.gz WJSYZUMUISFUIB-NRFANRHFSA-N 0 0 453.499 1.266 50 0 biogenic JDAARN COc1cc2ncn(CC(=O)N[C@H](C(=O)Nc3ccccc3O)C(C)C)c(=O)c2cc1OC ZINC000020762785 195218877 /nfs/dbraw/zinc/21/88/77/195218877.db2.gz GRVMVWUAAKFTRN-NRFANRHFSA-N 0 0 454.483 1.899 50 0 biogenic JDAARN CC(=O)Nc1ccc(S(=O)(=O)N[C@H](CC(=O)NCCCN2CCOCC2)C(C)C)cc1 ZINC000020766201 195221686 /nfs/dbraw/zinc/22/16/86/195221686.db2.gz LQIGXJYORYKIBM-HXUWFJFHSA-N 0 0 454.593 1.177 50 0 JDAARN COc1ccccc1CC(=O)N1CCC([C@]2(C)NC(=O)N(CCN3CCOCC3)C2=O)CC1 ZINC000020779981 195224697 /nfs/dbraw/zinc/22/46/97/195224697.db2.gz KVYORBJBCZRFRP-DEOSSOPVSA-N 0 0 458.559 1.119 50 0 JDAARN Cn1c2[nH]c(-c3cccc(Cl)c3)c(-c3c(=O)n(C)c(=O)n(C)c3-n3cccc3)c2c(=O)n(C)c1=O ZINC000020896818 195240192 /nfs/dbraw/zinc/24/01/92/195240192.db2.gz VXEISENYMFXKQM-UHFFFAOYSA-N 0 0 492.923 1.741 50 0 JDAARN COc1cc(=O)n2c(c1C(=O)N1CCc3ccccc3C1)CCN(C(=O)[C@@H](C)N1CCOCC1)CC2 ZINC000020919491 195247077 /nfs/dbraw/zinc/24/70/77/195247077.db2.gz QQGRFMSQLYCPAS-LJQANCHMSA-N 0 0 494.592 1.161 50 0 JDAARN COC(=O)C1=C(CS(=O)(=O)c2ccc(OC)cc2)NC(=O)N[C@@H]1c1ccc(OC)c(OC)c1 ZINC000020858070 195232399 /nfs/dbraw/zinc/23/23/99/195232399.db2.gz NLYAZGLLBMDYJW-HXUWFJFHSA-N 0 0 476.507 1.967 50 0 JDAARN CCCCn1c(N)c(N(CCOC)C(=O)CSc2nnc(-c3ccoc3C)o2)c(=O)[nH]c1=O ZINC000020981760 195259036 /nfs/dbraw/zinc/25/90/36/195259036.db2.gz FSKOVVZCNFNGCD-UHFFFAOYSA-N 0 0 478.531 1.642 50 0 JDAARN Cc1ccc(NC(=O)CN2C(=O)COc3ccc(S(=O)(=O)N4CCOCC4)cc32)c(C)c1 ZINC000020923210 195248542 /nfs/dbraw/zinc/24/85/42/195248542.db2.gz QMMKVNKXXXCXSM-UHFFFAOYSA-N 0 0 459.524 1.688 50 0 JDAARN CCc1ccccc1NC(=O)CN1C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc21 ZINC000020923192 195248598 /nfs/dbraw/zinc/24/85/98/195248598.db2.gz UZGPIIXXZBSCGH-UHFFFAOYSA-N 0 0 459.524 1.634 50 0 JDAARN CCS(=O)(=O)N1CC(=O)N(c2cccc(OC)c2)[C@@](C)(C(=O)NCc2ccc(F)cc2)C1 ZINC000020929881 195250783 /nfs/dbraw/zinc/25/07/83/195250783.db2.gz DUWDDPYMNZIPKU-JOCHJYFZSA-N 0 0 463.531 1.908 50 0 JDAARN Cc1cc(C(=O)O[C@@H](C)C(=O)N2CCNC2=O)cc(S(=O)(=O)N2CCC(C)CC2)c1C ZINC000020986304 195260951 /nfs/dbraw/zinc/26/09/51/195260951.db2.gz ZIHMAROKTBIOIL-INIZCTEOSA-N 0 0 451.545 1.821 50 0 JDAARN Cc1ccc(C)c(N2CCN(C(=O)c3cnc4sc(N5CCOCC5)nn4c3=O)CC2)c1 ZINC000020987287 195261232 /nfs/dbraw/zinc/26/12/32/195261232.db2.gz WFCAASORQJSJBL-UHFFFAOYSA-N 0 0 454.556 1.567 50 0 JDAARN NS(=O)(=O)c1ccc(CCNC(=O)CCC(=O)N2C[C@@H]3CCCN3c3ccccc32)cc1 ZINC000020987986 195261268 /nfs/dbraw/zinc/26/12/68/195261268.db2.gz CPWGUZFHTBWWGM-SFHVURJKSA-N 0 0 456.568 1.789 50 0 JDAARN COc1cccc(N2CCN(S(=O)(=O)c3c(C)n(C)c(C)c3C(=O)N3CCOCC3)CC2)c1 ZINC000020989853 195261764 /nfs/dbraw/zinc/26/17/64/195261764.db2.gz HBZWPTFPZYLUFL-UHFFFAOYSA-N 0 0 476.599 1.634 50 0 JDAARN CC(=O)Nc1ccc(NS(=O)(=O)c2ccc3c(c2)OC[C@@H](C(=O)N2CCOCC2)O3)cc1 ZINC000020989746 195261912 /nfs/dbraw/zinc/26/19/12/195261912.db2.gz GGHOVZXSAPXUID-FQEVSTJZSA-N 0 0 461.496 1.444 50 0 JDAARN Cn1c2cc(NS(=O)(=O)c3ccc(N4CCCC4=O)cc3)c(N3CCCC3)cc2n(C)c(=O)c1=O ZINC000020991646 195262099 /nfs/dbraw/zinc/26/20/99/195262099.db2.gz KAWCJUNMYBDBMN-UHFFFAOYSA-N 0 0 497.577 1.765 50 0 JDAARN COc1ccc(CCNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc4[nH]c(=O)oc4c3)C2)cc1OC ZINC000020994208 195263104 /nfs/dbraw/zinc/26/31/04/195263104.db2.gz POKTXAWLPFNEDP-INIZCTEOSA-N 0 0 489.550 1.898 50 0 JDAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)C[C@@H](C(=O)N1CCC3(CC1)OCCO3)N2C(C)=O ZINC000021023457 195268374 /nfs/dbraw/zinc/26/83/74/195268374.db2.gz IJPAYVIZIKOKRU-FQEVSTJZSA-N 0 0 465.572 1.360 50 0 JDAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)C[C@H](C(=O)N1CCC3(CC1)OCCO3)N2C(C)=O ZINC000021023450 195268463 /nfs/dbraw/zinc/26/84/63/195268463.db2.gz IJPAYVIZIKOKRU-HXUWFJFHSA-N 0 0 465.572 1.360 50 0 JDAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCOCC3)cc2C[C@@H]1C(=O)NCCc1c[nH]c2ccccc12 ZINC000021023328 195268489 /nfs/dbraw/zinc/26/84/89/195268489.db2.gz OGVPIRSMBNJZRS-XMMPIXPASA-N 0 0 496.589 1.825 50 0 JDAARN COc1cc(NC(=O)CCn2nc(C)c(S(=O)(=O)N3CCOCC3)c2C)cc(OC)c1OC ZINC000021029776 195269285 /nfs/dbraw/zinc/26/92/85/195269285.db2.gz IBXGEJVAUCTEEY-UHFFFAOYSA-N 0 0 482.559 1.575 50 0 JDAARN Cc1nn(CCC(=O)N2CCN(c3cc(C)ccc3C)CC2)c(C)c1S(=O)(=O)N1CCOCC1 ZINC000021029762 195269335 /nfs/dbraw/zinc/26/93/35/195269335.db2.gz JERIRKNWYKSGKX-UHFFFAOYSA-N 0 0 489.642 1.877 50 0 JDAARN CCOc1ccccc1CNC(=O)CCn1nc(C)c(S(=O)(=O)N2CCOCC2)c1C ZINC000021030093 195269676 /nfs/dbraw/zinc/26/96/76/195269676.db2.gz QRZQPFPWCCSLHE-UHFFFAOYSA-N 0 0 450.561 1.626 50 0 JDAARN CC(=O)N[C@@H](CC(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1)c1cccs1 ZINC000021072802 195273564 /nfs/dbraw/zinc/27/35/64/195273564.db2.gz XKQYRSJHHDVHEF-KRWDZBQOSA-N 0 0 451.570 1.653 50 0 JDAARN CC(=O)N[C@H](CC(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1)c1cccs1 ZINC000021072805 195273592 /nfs/dbraw/zinc/27/35/92/195273592.db2.gz XKQYRSJHHDVHEF-QGZVFWFLSA-N 0 0 451.570 1.653 50 0 JDAARN Cc1nn(CC(=O)NCCN2CCOCC2)c(=O)c2c1nn(-c1ccc(Cl)cc1)c2-n1cccc1 ZINC000021089096 195274225 /nfs/dbraw/zinc/27/42/25/195274225.db2.gz ASCGLUIEAKSBNL-UHFFFAOYSA-N 0 0 495.971 1.783 50 0 JDAARN COc1cc([C@]2(C)OC(c3nnn(-c4nonc4NC(C)=O)c3C)=NN2C(C)=O)ccc1OC(C)=O ZINC000021091292 195274858 /nfs/dbraw/zinc/27/48/58/195274858.db2.gz OIWJUJMTBBVBDF-NRFANRHFSA-N 0 0 498.456 1.264 50 0 JDAARN CN(C)S(=O)(=O)c1ccc2c(c1)N(CC(=O)N1CCN(c3ccccn3)CC1)CCS2 ZINC000021094137 195275429 /nfs/dbraw/zinc/27/54/29/195275429.db2.gz KRPJIAJVSWHCER-UHFFFAOYSA-N 0 0 461.613 1.593 50 0 JDAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)N(CC(=O)N1CCN(c3ncccn3)CC1)CCS2 ZINC000021094224 195275450 /nfs/dbraw/zinc/27/54/50/195275450.db2.gz DKQUNZCMSZBLNR-UHFFFAOYSA-N 0 0 490.655 1.768 50 0 JDAARN CCOC(=O)N1CCC(NC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3C)CC1 ZINC000021109109 195277158 /nfs/dbraw/zinc/27/71/58/195277158.db2.gz PTHCHVCSVUPNRZ-UHFFFAOYSA-N 0 0 480.587 1.298 50 0 JDAARN COc1ccc(CNC(=O)CCNS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)cc1 ZINC000021111966 195277542 /nfs/dbraw/zinc/27/75/42/195277542.db2.gz WCYULSVYZOMECL-UHFFFAOYSA-N 0 0 457.552 1.979 50 0 JDAARN CCOC(=O)[C@@H]1CCCN(C(=O)C2CCN(S(=O)(=O)c3cccc4nonc43)CC2)C1 ZINC000021116818 195279030 /nfs/dbraw/zinc/27/90/30/195279030.db2.gz SHGDTSWIZXBHKI-OAHLLOKOSA-N 0 0 450.517 1.425 50 0 JDAARN COc1ccc(S(=O)(=O)N[C@H](C(=O)NCc2ccc(N3CCOCC3)nc2)C(C)C)cc1 ZINC000021122497 195279578 /nfs/dbraw/zinc/27/95/78/195279578.db2.gz XLGWKUUMZZJDJL-NRFANRHFSA-N 0 0 462.572 1.546 50 0 JDAARN COc1cccc(C(=O)Nc2nnc(Sc3nc4c(c(=O)n(C)c(=O)n4C)n3C)s2)c1 ZINC000021152914 195283976 /nfs/dbraw/zinc/28/39/76/195283976.db2.gz GMYFMLHTOYGEEX-UHFFFAOYSA-N 0 0 459.513 1.234 50 0 JDAARN C[C@H](On1nnc2ccc(S(=O)(=O)N3CCOCC3)cc21)C(=O)Nc1ccc(F)c(F)c1F ZINC000021192852 195291159 /nfs/dbraw/zinc/29/11/59/195291159.db2.gz HMVBAXQCSDFXMN-NSHDSACASA-N 0 0 485.444 1.325 50 0 JDAARN CCOc1ccc(S(=O)(=O)N2CCC(C(=O)OCC(=O)NC(=O)NCCC(C)C)CC2)cc1 ZINC000021281932 195292956 /nfs/dbraw/zinc/29/29/56/195292956.db2.gz DGVGVACKZIVXBG-UHFFFAOYSA-N 0 0 483.587 1.901 50 0 JDAARN C[C@@H](CCc1ccccc1)NC(=O)COC(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000021327782 195294558 /nfs/dbraw/zinc/29/45/58/195294558.db2.gz CHVIIJKFTKZRGV-KRWDZBQOSA-N 0 0 476.551 1.807 50 0 JDAARN CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)OCC(=O)c2ccc3c(c2)CCC(=O)N3)cc1 ZINC000021331816 195294719 /nfs/dbraw/zinc/29/47/19/195294719.db2.gz LHUUUUZYTKCICL-UHFFFAOYSA-N 0 0 473.507 1.624 50 0 JDAARN CC(=O)N1CCC(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)sc(=O)n4C(C)C)CC2)CC1 ZINC000021358463 195298277 /nfs/dbraw/zinc/29/82/77/195298277.db2.gz MSBDIXGKHPUQSK-UHFFFAOYSA-N 0 0 494.639 1.735 50 0 JDAARN O=C(c1noc2ccc(S(=O)(=O)N3CCN(C(=O)c4ccco4)CC3)cc21)N1CCCC1 ZINC000021364219 195299901 /nfs/dbraw/zinc/29/99/01/195299901.db2.gz IDTSTJICEBENFI-UHFFFAOYSA-N 0 0 458.496 1.804 50 0 JDAARN C[C@H](OC(=O)CN1CSCC1=O)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000021464700 195301932 /nfs/dbraw/zinc/30/19/32/195301932.db2.gz HIQYWLZWXYQVTL-ZDUSSCGKSA-N 0 0 490.003 1.918 50 0 JDAARN 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527176077 /nfs/dbraw/zinc/17/60/77/527176077.db2.gz MLCFARUFMUCJLG-UHFFFAOYSA-N 0 0 485.559 1.027 50 0 JDAARN O=S(=O)(CCNS(=O)(=O)c1ccc(Cl)cc1)N1CCN(c2ccccc2F)CC1 ZINC000008611625 527176332 /nfs/dbraw/zinc/17/63/32/527176332.db2.gz DIUPTOMRMZQJBK-UHFFFAOYSA-N 0 0 461.968 1.909 50 0 JDAARN Cc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)N1CCN(CC(=O)NCc2ccccc2)CC1 ZINC000014900501 527198470 /nfs/dbraw/zinc/19/84/70/527198470.db2.gz KSCASCHJJASMEE-UHFFFAOYSA-N 0 0 489.502 1.763 50 0 JDAARN O=C(Cc1ccc2c(c1)CCCC2)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 ZINC000022611507 527249688 /nfs/dbraw/zinc/24/96/88/527249688.db2.gz SZRPEOODMNGFMG-UHFFFAOYSA-N 0 0 484.622 1.873 50 0 JDAARN O=S(=O)(c1ccc2c(c1)OCCO2)N1CCCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000014812821 527280452 /nfs/dbraw/zinc/28/04/52/527280452.db2.gz KHPCQBWUEDYAMF-UHFFFAOYSA-N 0 0 496.563 1.314 50 0 JDAARN Cn1cc(S(=O)(=O)N2CCN(C(=O)CCS(=O)(=O)c3ccc4ccccc4c3)CC2)cn1 ZINC000013960317 527284150 /nfs/dbraw/zinc/28/41/50/527284150.db2.gz HDPFJIQONUEQQR-UHFFFAOYSA-N 0 0 476.580 1.270 50 0 JDAARN Cn1cc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000020487895 527285720 /nfs/dbraw/zinc/28/57/20/527285720.db2.gz MFKBTTVGDISAPS-UHFFFAOYSA-N 0 0 460.537 1.676 50 0 JDAARN O=C(Nc1ccc2c(c1)OCO2)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCOCC3)cc21 ZINC000014129163 527290727 /nfs/dbraw/zinc/29/07/27/527290727.db2.gz WSUAPGNQMKOAON-UHFFFAOYSA-N 0 0 457.464 1.530 50 0 JDAARN NS(=O)(=O)c1ccc(N2CCN(CC(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)nc1 ZINC000023819925 527315233 /nfs/dbraw/zinc/31/52/33/527315233.db2.gz IKJUKHORDCIXCQ-UHFFFAOYSA-N 0 0 459.450 1.388 50 0 JDAARN NS(=O)(=O)c1ccc(NC(=O)C2CCN(c3ccc(=O)n(-c4ccc(F)cc4)n3)CC2)cc1 ZINC000035482746 527315383 /nfs/dbraw/zinc/31/53/83/527315383.db2.gz UHKKVTREYCNJRY-UHFFFAOYSA-N 0 0 471.514 1.874 50 0 JDAARN NS(=O)(=O)c1ccc(NC(=O)CSc2nnc(-c3cnccn3)n2Cc2ccco2)cc1 ZINC000002422003 527316135 /nfs/dbraw/zinc/31/61/35/527316135.db2.gz QQEUCFMRXVVBOT-UHFFFAOYSA-N 0 0 471.524 1.755 50 0 JDAARN NS(=O)(=O)c1ccc(NC(=O)CN2N=C(c3nc(-c4ccc5c(c4)OCO5)no3)CCC2=O)cc1 ZINC000071328448 527316435 /nfs/dbraw/zinc/31/64/35/527316435.db2.gz ISNCIWGITDZRAQ-UHFFFAOYSA-N 0 0 498.477 1.078 50 0 JDAARN O=C(Nc1cccc(-c2nnco2)c1)c1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1 ZINC000023146728 527317318 /nfs/dbraw/zinc/31/73/18/527317318.db2.gz RCSJGRMNWDHJDF-INIZCTEOSA-N 0 0 462.509 1.454 50 0 JDAARN Cn1cc2c(n1)c(=O)n(Cc1ccc(F)cc1)c(=O)n2CC(=O)Nc1ccc2c(c1)OCO2 ZINC000021713932 527332518 /nfs/dbraw/zinc/33/25/18/527332518.db2.gz ZBDOYKKZCKTUNU-UHFFFAOYSA-N 0 0 451.414 1.452 50 0 JDAARN Cn1cc2c(n1)c(=O)n(Cc1ccc(F)cc1)c(=O)n2CC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000021713901 527333427 /nfs/dbraw/zinc/33/34/27/527333427.db2.gz MUNXJFWKNXUTOC-UHFFFAOYSA-N 0 0 494.502 1.572 50 0 JDAARN O=C(Cn1c(=O)ccc2cc(S(=O)(=O)N3CCCC3)ccc21)N1CCN(c2ccccn2)CC1 ZINC000033077298 527350589 /nfs/dbraw/zinc/35/05/89/527350589.db2.gz HRDTVNRTWFFHIA-UHFFFAOYSA-N 0 0 481.578 1.530 50 0 JDAARN O=C(Cn1c(=O)ccc2cc(S(=O)(=O)N3CCCC3)ccc21)N1CCN(C(=O)c2ccco2)CC1 ZINC000033077254 527350971 /nfs/dbraw/zinc/35/09/71/527350971.db2.gz OFCUBZCPLZMAPK-UHFFFAOYSA-N 0 0 498.561 1.364 50 0 JDAARN O=C(CN1C(=S)N=NC1c1cccs1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000024628194 527358183 /nfs/dbraw/zinc/35/81/83/527358183.db2.gz VQRIWSRZSSNMQF-INIZCTEOSA-N 0 0 471.564 1.806 50 0 JDAARN O=C(Cn1cnc2c(cnn2[C@@H]2CCS(=O)(=O)C2)c1=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000016849746 527399772 /nfs/dbraw/zinc/39/97/72/527399772.db2.gz WEVPKQQTLNNINX-GFCCVEGCSA-N 0 0 471.417 1.490 50 0 JDAARN O=C(Nc1ccccc1)c1nnc(C(=O)N2CCC[C@H](C(=O)NCCCN3CCOCC3)C2)s1 ZINC000033263411 527400416 /nfs/dbraw/zinc/40/04/16/527400416.db2.gz IFDBLLLVJOOQFI-KRWDZBQOSA-N 0 0 486.598 1.481 50 0 JDAARN O=C(Cn1nc(S(=O)(=O)c2ccc(Br)cc2)ccc1=O)NCc1ccco1 ZINC000064943304 527416390 /nfs/dbraw/zinc/41/63/90/527416390.db2.gz DJNFPFIGAZIQLY-UHFFFAOYSA-N 0 0 452.286 1.748 50 0 JDAARN O=C(Cn1nc(S(=O)(=O)c2ccc(Br)cc2)ccc1=O)NC[C@H]1CCCO1 ZINC000035483631 527416921 /nfs/dbraw/zinc/41/69/21/527416921.db2.gz FLMNTCDSCJEPPG-CYBMUJFWSA-N 0 0 456.318 1.134 50 0 JDAARN O=C(Cn1nc2ccc(S(=O)(=O)C3CCCCC3)nn2c1=O)Nc1ccc(F)cc1F ZINC000035483593 527419119 /nfs/dbraw/zinc/41/91/19/527419119.db2.gz QJSSBIYVCBNXTR-UHFFFAOYSA-N 0 0 451.455 1.914 50 0 JDAARN O=C(Cn1nc2ccc(S(=O)(=O)C3CCCCC3)nn2c1=O)NCc1ccc(Cl)cc1 ZINC000033261736 527419898 /nfs/dbraw/zinc/41/98/98/527419898.db2.gz QTJJKNPBCMOOPD-UHFFFAOYSA-N 0 0 463.947 1.967 50 0 JDAARN O=C(Nc1ccccc1I)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000012879288 527424588 /nfs/dbraw/zinc/42/45/88/527424588.db2.gz ZXOSSYFFKKIDNE-JTQLQIEISA-N 0 0 461.281 1.395 50 0 JDAARN Nc1c(C(=O)NC2CC2)c2nc3ccccc3nc2n1CCc1ccc(S(N)(=O)=O)cc1 ZINC000002356273 527426344 /nfs/dbraw/zinc/42/63/44/527426344.db2.gz GVKSCJXBMICHQK-UHFFFAOYSA-N 0 0 450.524 1.949 50 0 JDAARN O=C(N1CCOCC1)N1CCN(S(=O)(=O)c2cc(Br)ccc2Br)CC1 ZINC000014100771 527443708 /nfs/dbraw/zinc/44/37/08/527443708.db2.gz PNNNPLHGVIXDJH-UHFFFAOYSA-N 0 0 497.209 1.970 50 0 JDAARN Cn1ccnc1[C@@](O)(CCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)C(F)(F)F ZINC000048309569 527463381 /nfs/dbraw/zinc/46/33/81/527463381.db2.gz ZLBFMPKYRNJCBM-KUHUBIRLSA-N 0 0 492.495 1.916 50 0 JDAARN Cn1cnnc1Sc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(Br)cc1 ZINC000000680572 527530961 /nfs/dbraw/zinc/53/09/61/527530961.db2.gz LLZYVSFJJNVCNX-UHFFFAOYSA-N 0 0 462.333 1.524 50 0 biogenic JDAARN Cc1nn(-c2ccccc2)c(C)c1[C@H]1C(=O)NCCN1CC(=O)Nc1sccc1C(N)=O ZINC000024214944 527545343 /nfs/dbraw/zinc/54/53/43/527545343.db2.gz DCLJGMDWHKVZOJ-IBGZPJMESA-N 0 0 452.540 1.761 50 0 JDAARN Nn1c(SCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)nnc1-c1ccco1 ZINC000002661654 527582844 /nfs/dbraw/zinc/58/28/44/527582844.db2.gz UBDNTOOPOHGOKS-UHFFFAOYSA-N 0 0 482.975 1.531 50 0 JDAARN OC[C@H]1O[C@@H](c2ccc(Cl)c(Cc3ccc(O[C@H]4CCOC4)cc3)c2)[C@H](O)[C@@H](O)[C@@H]1O ZINC000036520252 527623765 /nfs/dbraw/zinc/62/37/65/527623765.db2.gz OBWASQILIWPZMG-QZMOQZSNSA-N 0 0 450.915 1.613 50 0 fda JDAARN O=C(/C=C\c1ccc(S(=O)(=O)N2CCOCC2)cc1)OCC(=O)N1CCc2ccccc2C1 ZINC000033504506 527655882 /nfs/dbraw/zinc/65/58/82/527655882.db2.gz QYUHPMQATZOKPC-YFHOEESVSA-N 0 0 470.547 1.849 50 0 JDAARN Cn1nnnc1SCC(=O)Nc1ccc(C(=O)N2CCN(Cc3cccs3)CC2)cc1 ZINC000021866218 527658285 /nfs/dbraw/zinc/65/82/85/527658285.db2.gz LDCBDNOAYLHFNV-UHFFFAOYSA-N 0 0 457.585 1.960 50 0 JDAARN O=C(NCCCN1CCCC1=O)c1ccc(N2CC[NH2+]CC2)c([N-]S(=O)(=O)c2cccs2)c1 ZINC000033033750 527662928 /nfs/dbraw/zinc/66/29/28/527662928.db2.gz UNXOMZYEAWORNW-UHFFFAOYSA-N 0 0 491.639 1.701 50 0 JDAARN Cc1nn(CC(=O)N2CCCC2)c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NC2CCCC2)C1 ZINC000033086195 527701307 /nfs/dbraw/zinc/70/13/07/527701307.db2.gz VTKASDBJWXIISI-SFHVURJKSA-N 0 0 465.620 1.582 50 0 JDAARN Cc1nn(CC(=O)N2CCc3ccccc32)c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NC2CC2)C1 ZINC000033086229 527701766 /nfs/dbraw/zinc/70/17/66/527701766.db2.gz SSZDRDWEJVMLQT-IBGZPJMESA-N 0 0 485.610 1.769 50 0 JDAARN Cc1nn(CC(=O)N2CCc3ccccc32)c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NC2CC2)C1 ZINC000033086228 527701774 /nfs/dbraw/zinc/70/17/74/527701774.db2.gz SSZDRDWEJVMLQT-LJQANCHMSA-N 0 0 485.610 1.769 50 0 JDAARN Cc1nn(CC(=O)NCCN2CCOCC2)c(=O)c2c1nn(-c1ccccc1)c2-n1cccc1 ZINC000033267317 527702147 /nfs/dbraw/zinc/70/21/47/527702147.db2.gz MTFZMWDPLQCMQH-UHFFFAOYSA-N 0 0 461.526 1.130 50 0 JDAARN CC(C)[C@H](NC(=O)c1ccco1)C(=O)N1CCN(C(=O)c2cc(-c3cccnc3)n[nH]2)CC1 ZINC000096324894 535118784 /nfs/dbraw/zinc/11/87/84/535118784.db2.gz UXNKHJAXBNZAQQ-FQEVSTJZSA-N 0 0 450.499 1.804 50 0 JDAARN Cn1c2nc(N3CCCCCC3)n(C[C@@H](O)COc3ccc(Cl)cc3)c2c(=O)n(C)c1=O ZINC000000625987 553714365 /nfs/dbraw/zinc/71/43/65/553714365.db2.gz OIGWQJVRUCLYGG-MRXNPFEDSA-N 0 0 461.950 1.907 50 0 JDAARN COc1ccc(OC[C@H](O)Cn2c3c(nc2N2CCCCCC2)n(C)c(=O)n(C)c3=O)cc1 ZINC000000629968 553716959 /nfs/dbraw/zinc/71/69/59/553716959.db2.gz COQYIUCMMOAVPQ-MRXNPFEDSA-N 0 0 457.531 1.263 50 0 JDAARN COc1ccc(OC[C@@H](O)Cn2c(NC3CCCCC3)nc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000000629972 553716963 /nfs/dbraw/zinc/71/69/63/553716963.db2.gz DACMHMPOUOOWOB-INIZCTEOSA-N 0 0 457.531 1.627 50 0 biogenic JDAARN Cc1cc(C)n(-c2nc3c(c(=O)[nH]c(=O)n3C)n2C[C@@H](O)COc2ccc(Cl)cc2Cl)n1 ZINC000000632447 553719205 /nfs/dbraw/zinc/71/92/05/553719205.db2.gz ZYMNPLSRHWEBFE-CYBMUJFWSA-N 0 0 479.324 1.973 50 0 JDAARN Cn1c(=O)c2nc(Br)c(=O)n(Cc3ccc(Br)cc3)c2n(C)c1=O ZINC000000637341 553721517 /nfs/dbraw/zinc/72/15/17/553721517.db2.gz GHIPPXNZCJEYNB-UHFFFAOYSA-N 0 0 456.094 1.367 50 0 JDAARN CCOc1ccc(N(CC(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)S(C)(=O)=O)cc1 ZINC000000638232 553722311 /nfs/dbraw/zinc/72/23/11/553722311.db2.gz XPGSFHXPRPAAQR-UHFFFAOYSA-N 0 0 455.558 1.886 50 0 JDAARN COC(=O)C1=C(C)N=c2s/c(=C/c3c(C)nn(C)c3C)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000000648048 553729027 /nfs/dbraw/zinc/72/90/27/553729027.db2.gz VBQSHFQPEZKBAL-OBXYEHHASA-N 0 0 452.536 1.767 50 0 JDAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(C)nc3C)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000000648899 553730059 /nfs/dbraw/zinc/73/00/59/553730059.db2.gz QDTJOHJUODYVHF-ZMUHTPIZSA-N 0 0 452.536 1.849 50 0 JDAARN COc1ccc(-n2nc3ccc(NC(=O)Cn4cnc5c4n(C)c(=O)n(C)c5=O)cc3n2)cc1Cl ZINC000000679457 553752761 /nfs/dbraw/zinc/75/27/61/553752761.db2.gz ISRSACDMOZCGTH-UHFFFAOYSA-N 0 0 494.899 1.468 50 0 JDAARN COc1ccc(N(CC(=O)N2CCOCC2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000000813105 553785259 /nfs/dbraw/zinc/78/52/59/553785259.db2.gz QPCWXVDTMAIJJF-UHFFFAOYSA-N 0 0 450.513 1.767 50 0 JDAARN O=C([C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1)N1CCCCC1 ZINC000000835547 553791456 /nfs/dbraw/zinc/79/14/56/553791456.db2.gz KQNZSZOFVHRLBK-NRFANRHFSA-N 0 0 477.608 1.763 50 0 JDAARN COc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)cc1 ZINC000000899594 553833666 /nfs/dbraw/zinc/83/36/66/553833666.db2.gz DNOQGVQVSWJHJM-UHFFFAOYSA-N 0 0 453.542 1.349 50 0 JDAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000000899591 553833675 /nfs/dbraw/zinc/83/36/75/553833675.db2.gz MZUIGQXFKKMMMN-UHFFFAOYSA-N 0 0 457.961 1.994 50 0 JDAARN COc1ccc(N(CC(=O)N2CCN(c3ccc(F)cc3)CC2)S(C)(=O)=O)cc1OC ZINC000000916484 553847771 /nfs/dbraw/zinc/84/77/71/553847771.db2.gz YAXFIHHNDDOPJY-UHFFFAOYSA-N 0 0 451.520 1.958 50 0 JDAARN CCOC(=O)CC1=C(C(=O)OCC)[C@]2(c3ccccc3NC2=O)C(C(=O)OC(C)C)=C(N)O1 ZINC000000989368 553894286 /nfs/dbraw/zinc/89/42/86/553894286.db2.gz UICKFOSHJDTVKD-HSZRJFAPSA-N 0 0 458.467 1.799 50 0 biogenic JDAARN COC(=O)CC1=C(C(=O)OC)[C@@]2(c3ccccc3NC2=O)C(C(=O)OCc2ccccc2)=C(N)O1 ZINC000000989373 553894309 /nfs/dbraw/zinc/89/43/09/553894309.db2.gz YAMKVBLBJAAXFT-VWLOTQADSA-N 0 0 478.457 1.811 50 0 biogenic JDAARN O=C(N[C@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1)C1CCCCC1 ZINC000001840639 553994847 /nfs/dbraw/zinc/99/48/47/553994847.db2.gz BMLPETBEZSXYHD-FQEVSTJZSA-N 0 0 450.417 1.991 50 0 JDAARN O=C(N[C@@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1)C1CCCCC1 ZINC000001840640 553994881 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ZINC000003228299 554434013 /nfs/dbraw/zinc/43/40/13/554434013.db2.gz GYDRCJWLYNJJEM-UHFFFAOYSA-N 0 0 466.487 1.328 50 0 JDAARN CC(C)Cn1c(N)c(C(=O)CSc2nnc(Cc3cccc4ccccc43)n2N)c(=O)n(C)c1=O ZINC000003377880 554460683 /nfs/dbraw/zinc/46/06/83/554460683.db2.gz JOJKWWNNIQUZDN-UHFFFAOYSA-N 0 0 493.593 1.810 50 0 JDAARN COc1ccc(OC)c(S(=O)(=O)N2CCCC[C@H]2C(=O)N2CCN(c3ccccn3)CC2)c1 ZINC000004115431 554474171 /nfs/dbraw/zinc/47/41/71/554474171.db2.gz KSRGTZBJRJNTQE-IBGZPJMESA-N 0 0 474.583 1.991 50 0 JDAARN O=C(CCCn1c(=O)[nH]c2ccc(Br)cc2c1=O)N1CCN(c2ncccn2)CC1 ZINC000004791722 554479809 /nfs/dbraw/zinc/47/98/09/554479809.db2.gz SMFQYOXQLNZYEQ-UHFFFAOYSA-N 0 0 473.331 1.371 50 0 JDAARN CC(=O)OC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)C(=O)Nc1ccc(N(C)C)cc1 ZINC000006073877 554501709 /nfs/dbraw/zinc/50/17/09/554501709.db2.gz KBVJXIUSKWAASH-UFYCRDLUSA-N 0 0 452.460 1.049 50 0 JDAARN CCCCn1c2nc(COC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)n(CCC)c2c(=O)[nH]c1=O ZINC000006134860 554506714 /nfs/dbraw/zinc/50/67/14/554506714.db2.gz WGWMORIKADDUPK-UHFFFAOYSA-N 0 0 491.570 1.704 50 0 JDAARN O=C(COC(=O)Cn1cnc2ccccc21)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000006147856 554510944 /nfs/dbraw/zinc/51/09/44/554510944.db2.gz ZYDNYDXHRCSGQL-UHFFFAOYSA-N 0 0 458.496 1.239 50 0 JDAARN Cn1c(CCC(=O)Nc2ccc3c(c2)OCO3)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000006153415 554512502 /nfs/dbraw/zinc/51/25/02/554512502.db2.gz VFQPRFJNNMOODX-UHFFFAOYSA-N 0 0 472.523 1.894 50 0 JDAARN CCOC(=O)C1=c2/c(=C/c3ccncc3)c(N)c(C(=O)OC)n2C(=O)[C@H](c2ccncc2)S1 ZINC000006378688 554532884 /nfs/dbraw/zinc/53/28/84/554532884.db2.gz GYUHGEFKSQBCRA-QZEGLACASA-N 0 0 464.503 1.275 50 0 JDAARN Cn1c2nc(N3CCN(c4ccccc4)CC3)n(CCSc3ncccn3)c2c(=O)[nH]c1=O ZINC000006531086 554549422 /nfs/dbraw/zinc/54/94/22/554549422.db2.gz NYQQSCMBAWOKFL-UHFFFAOYSA-N 0 0 464.555 1.332 50 0 JDAARN CCOC(=O)CNC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OC(C)(C)C ZINC000006546891 554550108 /nfs/dbraw/zinc/55/01/08/554550108.db2.gz OVRUIXQNIAAVBF-ROUUACIJSA-N 0 0 497.614 1.745 50 0 biogenic JDAARN CN(CC(=O)N[C@@H]1CCCc2ccccc21)S(=O)(=O)c1ccc2c(c1)c(=O)n(C)c(=O)n2C ZINC000006577575 554552960 /nfs/dbraw/zinc/55/29/60/554552960.db2.gz AYXWXJLAVMDNHH-LJQANCHMSA-N 0 0 470.551 1.052 50 0 JDAARN COc1cccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCC(=O)Nc2ccccc2)c1 ZINC000006577903 554553635 /nfs/dbraw/zinc/55/36/35/554553635.db2.gz PQUXTSXJSADBPP-UHFFFAOYSA-N 0 0 464.507 1.974 50 0 JDAARN Cc1ccc(CCNC(=O)CN2C(=O)COc3ccc(S(=O)(=O)N4CCCC4)cc32)cc1 ZINC000008583152 554601039 /nfs/dbraw/zinc/60/10/39/554601039.db2.gz LVZZFPMRKCXODL-UHFFFAOYSA-N 0 0 457.552 1.864 50 0 JDAARN CCOC(=O)N1CCN(S(=O)(=O)N2CCC[C@H](C(=O)NCc3cc(OC)ccc3OC)C2)CC1 ZINC000008583368 554601293 /nfs/dbraw/zinc/60/12/93/554601293.db2.gz WPUHBTAMSFIRBA-KRWDZBQOSA-N 0 0 498.602 1.051 50 0 JDAARN O=C(CN1C(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc21)N1CCN(c2ccccc2)CC1 ZINC000008589281 554602174 /nfs/dbraw/zinc/60/21/74/554602174.db2.gz UWZXSVVFYRUNSO-UHFFFAOYSA-N 0 0 484.578 1.545 50 0 JDAARN O=C(N[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000008601643 554603108 /nfs/dbraw/zinc/60/31/08/554603108.db2.gz FTJUAZLUJXBAEA-QGZVFWFLSA-N 0 0 463.943 1.896 50 0 JDAARN COc1ccc(O[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)cc1 ZINC000008739315 554640846 /nfs/dbraw/zinc/64/08/46/554640846.db2.gz RPHXBVOPPUTUES-XDWAVFMPSA-N 0 0 454.428 1.157 50 0 biogenic JDAARN O=C([C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc2c(c1)OCCO2)N1CCN(C(=O)C2CC2)CC1 ZINC000008745429 554648701 /nfs/dbraw/zinc/64/87/01/554648701.db2.gz BHBSUBRWEKPMON-OAQYLSRUSA-N 0 0 499.589 1.428 50 0 JDAARN O=C(c1cccc(S(=O)(=O)N2CCOCC2)c1)N1CCC(c2nnc3ccccn32)CC1 ZINC000008746026 554649126 /nfs/dbraw/zinc/64/91/26/554649126.db2.gz ATYPYDYSGCDJOL-UHFFFAOYSA-N 0 0 455.540 1.770 50 0 JDAARN COCCOC(=O)C1=C(N)Oc2c(=O)cc(CO)oc2[C@H]1c1ccc(Br)cc1 ZINC000008748234 554650993 /nfs/dbraw/zinc/65/09/93/554650993.db2.gz YVMOYPSVKZMPBP-AWEZNQCLSA-N 0 0 452.257 1.779 50 0 JDAARN CSCC[C@H](NC(N)=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000008749145 554651583 /nfs/dbraw/zinc/65/15/83/554651583.db2.gz GWFJVWJNRSVJDT-AWEZNQCLSA-N 0 0 468.523 1.328 50 0 JDAARN NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000008761994 554661468 /nfs/dbraw/zinc/66/14/68/554661468.db2.gz XHGIWCXAACQYGK-RBUKOAKNSA-N 0 0 455.515 1.357 50 0 biogenic JDAARN COc1ccc(-c2cc(=O)oc3cc(OCC(=O)N[C@H]4CS(=O)(=O)C[C@@H]4O)ccc32)cc1 ZINC000008764753 554665347 /nfs/dbraw/zinc/66/53/47/554665347.db2.gz ZKAIELXGYJZEOU-OALUTQOASA-N 0 0 459.476 1.122 50 0 biogenic JDAARN Cn1c2nc(Cl)n(CC(=O)N3c4ccccc4NC(=O)C34CCCC4)c2c(=O)n(C)c1=O ZINC000008768465 554669180 /nfs/dbraw/zinc/66/91/80/554669180.db2.gz VPVFIQRQQLGQRW-UHFFFAOYSA-N 0 0 456.890 1.385 50 0 JDAARN C[C@@H](O)[C@@H](NC(=O)C[C@@H](CNC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)c1ccc(Cl)cc1)C(=O)[O-] ZINC000008770189 554670554 /nfs/dbraw/zinc/67/05/54/554670554.db2.gz USOKXTYKLYYGSR-XBTSVGFCSA-N 0 0 473.957 1.595 50 0 biogenic JDAARN NC(=O)c1ccc(-n2nc(C(=O)N3CCOCC3)/c(=N/C(=O)c3ccc(F)cc3)s2)cc1 ZINC000008770591 554670706 /nfs/dbraw/zinc/67/07/06/554670706.db2.gz ROFRVKNXOBDTEG-GFMRDNFCSA-N 0 0 455.471 1.385 50 0 JDAARN COc1cc(OC)cc(C(=O)N[C@H](C(=O)OCC(=O)Nc2ccc(C(N)=O)cc2)C(C)C)c1 ZINC000008773147 554672758 /nfs/dbraw/zinc/67/27/58/554672758.db2.gz UKRCARWUHWPJCY-FQEVSTJZSA-N 0 0 457.483 1.739 50 0 JDAARN COc1ccc(S(=O)(=O)n2nc(OC(=O)c3cc(OC)c(OC)c(OC)c3)cc2N)cc1 ZINC000008774883 554673421 /nfs/dbraw/zinc/67/34/21/554673421.db2.gz CDJDPUTZFIBKKP-UHFFFAOYSA-N 0 0 463.468 1.956 50 0 JDAARN NS(=O)(=O)Cc1ccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)cc1 ZINC000008775047 554673568 /nfs/dbraw/zinc/67/35/68/554673568.db2.gz AFUDKCNNYAHZTH-MRXNPFEDSA-N 0 0 457.599 1.254 50 0 JDAARN CCOC(=O)C1CCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(Cl)cc2)CC1 ZINC000008775060 554673579 /nfs/dbraw/zinc/67/35/79/554673579.db2.gz NGFKOGWCPNEKNW-UHFFFAOYSA-N 0 0 459.934 1.915 50 0 JDAARN Cn1c2nc(NCc3ccc(S(N)(=O)=O)cc3)n(Cc3ccc(Cl)cc3)c2c(=O)n(C)c1=O ZINC000008775481 554673794 /nfs/dbraw/zinc/67/37/94/554673794.db2.gz ICDFNRZAVQXIPS-UHFFFAOYSA-N 0 0 488.957 1.395 50 0 JDAARN Cn1c2nc(N3CCN(C(=O)CC4CCCC4)CC3)n(Cc3ccccc3)c2c(=O)n(C)c1=O ZINC000008775419 554673838 /nfs/dbraw/zinc/67/38/38/554673838.db2.gz MTHVNWUQWPNQBK-UHFFFAOYSA-N 0 0 464.570 1.711 50 0 JDAARN Cn1c2nc(N3CCN(C(=O)C4CCCCC4)CC3)n(Cc3ccccc3)c2c(=O)n(C)c1=O ZINC000008775422 554673869 /nfs/dbraw/zinc/67/38/69/554673869.db2.gz GDLXMDHJYFAFNN-UHFFFAOYSA-N 0 0 464.570 1.711 50 0 JDAARN CC(=O)Nc1ccc(NC(=O)[C@H]2C=C([O-])NC(N3CCN(c4ccccc4F)CC3)=[NH+]2)cc1 ZINC000008777046 554674453 /nfs/dbraw/zinc/67/44/53/554674453.db2.gz OVCRWIYXHXVFGS-LJQANCHMSA-N 0 0 452.490 1.789 50 0 JDAARN Cc1c(C(=O)OCC(=O)N(C2CC2)[C@@H]2CCS(=O)(=O)C2)sc2nc3n(c(=O)c12)CCC3 ZINC000008777155 554674632 /nfs/dbraw/zinc/67/46/32/554674632.db2.gz JTELOAAUJKTNSP-CYBMUJFWSA-N 0 0 465.553 1.048 50 0 JDAARN CCn1c(CN2C[C@H](C(N)=O)Oc3ccccc32)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000008778806 554675411 /nfs/dbraw/zinc/67/54/11/554675411.db2.gz ZLJZNHCLCGQTFJ-OAQYLSRUSA-N 0 0 485.566 1.330 50 0 JDAARN COc1ccccc1N1CCN(C(=O)CN2C(=O)N[C@H](Cc3c[nH]c4ccccc34)C2=O)CC1 ZINC000008779701 554677077 /nfs/dbraw/zinc/67/70/77/554677077.db2.gz YPOXSIMUPXROGR-HXUWFJFHSA-N 0 0 461.522 1.988 50 0 JDAARN CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1Oc1ccc2c(c1)CC[C@H]1[C@H]3CCC(=O)[C@@]3(C)CC[C@H]21 ZINC000008789971 554683083 /nfs/dbraw/zinc/68/30/83/554683083.db2.gz GUDKVGOOQSWBLK-VTFQISJVSA-N 0 0 473.566 1.434 50 0 biogenic JDAARN O=C([O-])CC[C@H]1[NH2+][C@@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]12 ZINC000008790294 554683570 /nfs/dbraw/zinc/68/35/70/554683570.db2.gz UNZNMYRTDVBSNM-BNVGKWPLSA-N 0 0 497.891 1.854 50 0 biogenic JDAARN CCOC(=O)N1CCN(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccccc3OCC)C2)CC1 ZINC000008812134 554693408 /nfs/dbraw/zinc/69/34/08/554693408.db2.gz DHPXNTUXDUXNFL-IBGZPJMESA-N 0 0 482.603 1.432 50 0 JDAARN CCOC(=O)N1CCN(S(=O)(=O)N2CCC[C@H](C(=O)NCCc3ccc(Cl)cc3)C2)CC1 ZINC000008812129 554693416 /nfs/dbraw/zinc/69/34/16/554693416.db2.gz BARZFVJGWNNWEI-SFHVURJKSA-N 0 0 487.022 1.730 50 0 JDAARN COC(=O)C1=C(C)N=c2s/c(=C3/c4ccccc4N(C(C)=O)C3=O)c(=O)n2[C@@H]1c1ccccc1 ZINC000008818840 554702602 /nfs/dbraw/zinc/70/26/02/554702602.db2.gz ZKXAHBKZVXGMEQ-GOBJLOIFSA-N 0 0 473.510 1.672 50 0 JDAARN Cc1cc(F)ccc1S(=O)(=O)N1CCCO[C@H]1CNC(=O)C(=O)NCCC1=CCCCC1 ZINC000008830375 554720076 /nfs/dbraw/zinc/72/00/76/554720076.db2.gz AJMVHFILDQTARQ-FQEVSTJZSA-N 0 0 467.563 1.994 50 0 JDAARN COc1ccc(N2CCn3c2nn(CC(=O)Nc2ccc(Br)cc2)c(=O)c3=O)cc1 ZINC000008849313 554746921 /nfs/dbraw/zinc/74/69/21/554746921.db2.gz QKVVFZBJLQHKFE-UHFFFAOYSA-N 0 0 472.299 1.967 50 0 JDAARN CCOc1ccc(NC(=O)Cn2nc3n(c(=O)c2=O)CCN3c2ccc(OCC)cc2)cc1 ZINC000008849415 554746979 /nfs/dbraw/zinc/74/69/79/554746979.db2.gz KVOMVKWIXAEQNU-UHFFFAOYSA-N 0 0 451.483 1.993 50 0 JDAARN O=C(CCn1nc(-c2cccs2)oc1=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000008855554 554751179 /nfs/dbraw/zinc/75/11/79/554751179.db2.gz ZPHQGBXDCCZRFK-UHFFFAOYSA-N 0 0 464.525 1.615 50 0 JDAARN Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)N(c3ccccc3)[C@@H]3CCS(=O)(=O)C3)C2=O)cc1 ZINC000008861042 554757801 /nfs/dbraw/zinc/75/78/01/554757801.db2.gz HGQCJLYKJKDBTO-AUSIDOKSSA-N 0 0 455.536 1.982 50 0 JDAARN CCS(=O)(=O)c1ncc(Cl)c(C(=O)N(Cc2ccccc2)[C@H]2CCS(=O)(=O)C2)n1 ZINC000008868658 554762364 /nfs/dbraw/zinc/76/23/64/554762364.db2.gz OXNWCABILHMKAM-AWEZNQCLSA-N 0 0 457.961 1.753 50 0 JDAARN CN(C(=O)[C@H]1N2C(=O)C[C@H]2S(=O)(=O)C1(C)C)C1(C(=O)NC2CCCCC2)CCCCC1 ZINC000008876637 554771849 /nfs/dbraw/zinc/77/18/49/554771849.db2.gz DXFCKHCUUUHMCM-QZTJIDSGSA-N 0 0 453.605 1.731 50 0 biogenic JDAARN CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)OCC(=O)Nc2ccc(F)c(Cl)c2)cc1 ZINC000008876922 554772079 /nfs/dbraw/zinc/77/20/79/554772079.db2.gz HFVKNQSKMFZIKA-UHFFFAOYSA-N 0 0 457.867 1.898 50 0 JDAARN C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1ccc(S(=O)(=O)N2CCOCC2)cn1 ZINC000008893900 554782789 /nfs/dbraw/zinc/78/27/89/554782789.db2.gz DIWDKPGDMMLFFS-OAHLLOKOSA-N 0 0 476.580 1.959 50 0 JDAARN O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000008894330 554783312 /nfs/dbraw/zinc/78/33/12/554783312.db2.gz XKMJYUQUQZBMOJ-WZONZLPQSA-N 0 0 453.520 1.600 50 0 JDAARN O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000008894318 554783449 /nfs/dbraw/zinc/78/34/49/554783449.db2.gz XKMJYUQUQZBMOJ-JPYJTQIMSA-N 0 0 453.520 1.600 50 0 JDAARN O=C(CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000008894432 554783674 /nfs/dbraw/zinc/78/36/74/554783674.db2.gz ASULKRPCKWJEDG-SBUREZEXSA-N 0 0 469.519 1.437 50 0 JDAARN O=C1N[C@]2(CCOc3ccccc32)C(=O)N1Cc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000008894493 554783795 /nfs/dbraw/zinc/78/37/95/554783795.db2.gz FCUUKICPCUIDNT-QFIPXVFZSA-N 0 0 457.508 1.437 50 0 JDAARN 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555904268 /nfs/dbraw/zinc/90/42/68/555904268.db2.gz HRBUBLQCYHAHJL-UHFFFAOYSA-N 0 0 476.555 1.607 50 0 JDAARN CCOC(=O)C1=C(CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)NC(=O)N[C@@H]1c1ccco1 ZINC000015409705 555904469 /nfs/dbraw/zinc/90/44/69/555904469.db2.gz ICMKNIYTGVYSRL-OAQYLSRUSA-N 0 0 488.566 1.766 50 0 JDAARN COc1c2c(cc3c1[C@@H](c1nnnn1-c1ccc(C(=O)NC[C@@H]4CCCO4)cc1)N(C)CC3)OCO2 ZINC000015414851 555906638 /nfs/dbraw/zinc/90/66/38/555906638.db2.gz BJSVWNJSFKEJMP-RXVVDRJESA-N 0 0 492.536 1.886 50 0 biogenic JDAARN COc1c2c(cc3c1[C@H](c1nnnn1-c1ccccc1C(=O)N1CCOCC1)N(C)CC3)OCO2 ZINC000015415051 555906875 /nfs/dbraw/zinc/90/68/75/555906875.db2.gz CRQPVNKLISKOGS-HXUWFJFHSA-N 0 0 478.509 1.449 50 0 biogenic JDAARN COC(=O)[C@@H]1CCCN1C(=O)C1CCN(c2nc(C)c3ccc(S(C)(=O)=O)cc3n2)CC1 ZINC000012130454 555911725 /nfs/dbraw/zinc/91/17/25/555911725.db2.gz MFYBFVXJOZZXRU-IBGZPJMESA-N 0 0 460.556 1.722 50 0 JDAARN COc1ccccc1CNc1nc(CN(CCO)[C@H]2CS(=O)(=O)C[C@@H]2O)nc2c(C)cccc12 ZINC000012131671 555911886 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CC(C)CN(C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000015611185 555918860 /nfs/dbraw/zinc/91/88/60/555918860.db2.gz OKGLNLJLZZKZIX-SJLPKXTDSA-N 0 0 460.593 1.898 50 0 JDAARN COc1cc(=O)n2c(c1C(=O)NCCC(C)C)CCN(C(=O)c1cnn3cccnc13)CC2 ZINC000012149273 555921273 /nfs/dbraw/zinc/92/12/73/555921273.db2.gz BYSKPXXBONNHDK-UHFFFAOYSA-N 0 0 452.515 1.374 50 0 JDAARN NC(=O)[C@@H]1CCCN(C(=O)C[C@]2(c3ccccc3)CC(=O)N(CCCOc3cccnc3)C2=O)C1 ZINC000012149452 555921496 /nfs/dbraw/zinc/92/14/96/555921496.db2.gz CMHGCDOFSHGQQY-NIYFSFCBSA-N 0 0 478.549 1.661 50 0 JDAARN Cn1c2ncn(CCCC(=O)Nc3ccnn3Cc3ccc(Cl)cc3)c2c(=O)n(C)c1=O ZINC000015641475 555921512 /nfs/dbraw/zinc/92/15/12/555921512.db2.gz PFONDLJFFKZHNR-UHFFFAOYSA-N 0 0 455.906 1.751 50 0 JDAARN NC(=O)[C@H]1CCCN(C(=O)C[C@]2(c3ccccc3)CC(=O)N(CCCOc3cccnc3)C2=O)C1 ZINC000012149453 555921542 /nfs/dbraw/zinc/92/15/42/555921542.db2.gz CMHGCDOFSHGQQY-AFMDSPMNSA-N 0 0 478.549 1.661 50 0 JDAARN O=C(C[C@H]1NC(=O)NC1=O)N1CCN(Cc2cc(=O)c(OCc3ccccc3Cl)co2)CC1 ZINC000022330216 555922595 /nfs/dbraw/zinc/92/25/95/555922595.db2.gz XNEWPBXOLNREDW-QGZVFWFLSA-N 0 0 474.901 1.115 50 0 JDAARN O=C(C[C@@H]1NC(=O)NC1=O)N1CCN(Cc2cc(=O)c(OCc3ccccc3Cl)co2)CC1 ZINC000022330212 555922627 /nfs/dbraw/zinc/92/26/27/555922627.db2.gz XNEWPBXOLNREDW-KRWDZBQOSA-N 0 0 474.901 1.115 50 0 JDAARN COc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1N1CCN(C(=O)COC(C)=O)CC1 ZINC000022351189 555924221 /nfs/dbraw/zinc/92/42/21/555924221.db2.gz ZQLHSKRARCVNIM-MRXNPFEDSA-N 0 0 453.561 1.328 50 0 JDAARN COC(=O)C1=C(OC(=O)CN2C(=O)c3ccccc3C2=O)c2ccccc2S(=O)(=O)N1C(C)C ZINC000015669531 555924259 /nfs/dbraw/zinc/92/42/59/555924259.db2.gz YZIUKNKJBGCGMB-UHFFFAOYSA-N 0 0 484.486 1.780 50 0 JDAARN O=C(CSc1nnnn1Cc1ccccc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000022358644 555925430 /nfs/dbraw/zinc/92/54/30/555925430.db2.gz VVJAGLHVSWVYGH-UHFFFAOYSA-N 0 0 452.540 1.887 50 0 JDAARN CN(C(=O)CSc1nc(CN2CCOCC2)nc2ccccc21)[C@H]1CCS(=O)(=O)C1 ZINC000022373445 555926861 /nfs/dbraw/zinc/92/68/61/555926861.db2.gz DHSOANQQOPXASP-HNNXBMFYSA-N 0 0 450.586 1.200 50 0 JDAARN COC(=O)c1c(OC(C)C)cc(=O)n2c1CCN(C(=O)[C@H]1CC(=O)N(Cc3ccccn3)C1)CC2 ZINC000012152775 555926985 /nfs/dbraw/zinc/92/69/85/555926985.db2.gz NDUVUEUEOVTMPA-KRWDZBQOSA-N 0 0 482.537 1.251 50 0 JDAARN COc1ccc(S(=O)(=O)N2CCC(NC(=O)CCCn3c(C)csc3=O)CC2)cc1 ZINC000022379490 555927840 /nfs/dbraw/zinc/92/78/40/555927840.db2.gz RSKBQQYVBFSYKJ-UHFFFAOYSA-N 0 0 453.586 1.977 50 0 JDAARN O=C(CN1CCOCC1)Nc1ccc(NC(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)cc1 ZINC000022384260 555928295 /nfs/dbraw/zinc/92/82/95/555928295.db2.gz GBQNZUCMUXHRNI-UHFFFAOYSA-N 0 0 458.540 1.650 50 0 JDAARN Cc1c(C)n(-c2cccc(C)c2C)c2nc3c(c(=O)n(CCN4CCOCC4)c(=O)n3C)n12 ZINC000022406097 555929198 /nfs/dbraw/zinc/92/91/98/555929198.db2.gz MTRLHBCVDWBBPN-UHFFFAOYSA-N 0 0 450.543 1.704 50 0 JDAARN CCN(C(=O)[C@H](C)Sc1nc(CN2CCOCC2)nc2ccccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000022405926 555929319 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461.588 1.637 50 0 JDAARN COCCN1C(=O)C[C@@](CC(=O)N2CCN(c3cccc(C)n3)CC2)(c2cccc(OC)c2)C1=O ZINC000012167529 555933443 /nfs/dbraw/zinc/93/34/43/555933443.db2.gz QETRTCOJJDBVNJ-SANMLTNESA-N 0 0 480.565 1.781 50 0 JDAARN COc1cc(=O)n2c(c1C(=O)NCc1ccc3c(c1)OCO3)CCN(C(=O)C(C)(C)C)CC2 ZINC000012182487 555935405 /nfs/dbraw/zinc/93/54/05/555935405.db2.gz CMUWZJKLCWUFDE-UHFFFAOYSA-N 0 0 455.511 1.946 50 0 JDAARN COc1cc(C[C@]2(CCC(=O)N3CCC[C@@H](C(=O)N4CCOCC4)C3)CCC(=O)N2)ccc1F ZINC000012183687 555936068 /nfs/dbraw/zinc/93/60/68/555936068.db2.gz OLJRCVISQJPJEC-KBMIEXCESA-N 0 0 475.561 1.903 50 0 JDAARN COC(=O)c1c2c(sc1S(=O)(=O)N(C)CC(C)C)CN(C(=O)c1csnn1)CC2 ZINC000012191122 555938535 /nfs/dbraw/zinc/93/85/35/555938535.db2.gz YUZPOMTYHSLHDH-UHFFFAOYSA-N 0 0 458.587 1.861 50 0 JDAARN COC(=O)CCCC(=O)N1CCN(c2ncccc2C(=O)NCc2ccc3c(c2)OCO3)CC1 ZINC000022665743 555941869 /nfs/dbraw/zinc/94/18/69/555941869.db2.gz UAIQBSNAGUAZDQ-UHFFFAOYSA-N 0 0 468.510 1.732 50 0 JDAARN CCOc1ccccc1CNC(=O)[C@H]1CCCN(S(=O)(=O)N2CCC3(CC2)OCCO3)C1 ZINC000015677792 555941940 /nfs/dbraw/zinc/94/19/40/555941940.db2.gz FNMSQPOMOCZJCK-IBGZPJMESA-N 0 0 467.588 1.497 50 0 JDAARN CCOC(=O)N1CCN(C(=O)[C@@H]2CC23CCN(C(=O)CCn2c4ccccc4[nH]c2=O)CC3)CC1 ZINC000012211821 555943437 /nfs/dbraw/zinc/94/34/37/555943437.db2.gz FFGWWHXBDFVYBP-SFHVURJKSA-N 0 0 483.569 1.649 50 0 JDAARN COC(=O)C[C@H]1C(=O)NCCN1C(=O)CC[C@@]1(Cc2ccc3ccccc3c2)CCC(=O)N1 ZINC000012212737 555943592 /nfs/dbraw/zinc/94/35/92/555943592.db2.gz QQLCDGZULUGJPK-NBGIEHNGSA-N 0 0 451.523 1.701 50 0 JDAARN COc1cc(CNC(=O)CN(C)S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)cc(OC)c1OC ZINC000015678654 555944242 /nfs/dbraw/zinc/94/42/42/555944242.db2.gz GKSSGRGLJDNJFH-UHFFFAOYSA-N 0 0 475.523 1.491 50 0 JDAARN COc1cc(NC(=O)CN(C)S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)cc(OC)c1OC ZINC000015678602 555944253 /nfs/dbraw/zinc/94/42/53/555944253.db2.gz GIHLFLPCOJZRPP-UHFFFAOYSA-N 0 0 461.496 1.813 50 0 JDAARN O=C(NC12CC3CC(CC(C3)C1)C2)c1cccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)c1 ZINC000012226900 555944354 /nfs/dbraw/zinc/94/43/54/555944354.db2.gz DOBLOOZJNCHODZ-DIKOGFFKSA-N 0 0 452.598 1.851 50 0 JDAARN COC(=O)C[C@@H]1C(=O)NCCN1C(=S)NC(=O)CCCOc1ccc(Cl)cc1Cl ZINC000012292510 555949384 /nfs/dbraw/zinc/94/93/84/555949384.db2.gz FYQKLSFTPYQQBT-CYBMUJFWSA-N 0 0 462.355 1.917 50 0 JDAARN O=C(CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccc3nsnc32)C1)N1CCCCC1 ZINC000012321342 555951535 /nfs/dbraw/zinc/95/15/35/555951535.db2.gz PWJPXGJTDTYACU-CQSZACIVSA-N 0 0 451.574 1.221 50 0 JDAARN C[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccc3nsnc32)C1)C(=O)N1CCCC1 ZINC000012322339 555952537 /nfs/dbraw/zinc/95/25/37/555952537.db2.gz YMLRFUCZBRALKP-UONOGXRCSA-N 0 0 451.574 1.219 50 0 JDAARN Cc1cc(C)c(S(=O)(=O)N2CCCC[C@@H]2CCNC(=O)C(=O)NCCN2CCOCC2)c(C)c1 ZINC000022851104 555956931 /nfs/dbraw/zinc/95/69/31/555956931.db2.gz IGDGADIDUHTKKQ-OAQYLSRUSA-N 0 0 494.658 1.110 50 0 JDAARN O=C(NCCNC(=O)c1cnccn1)c1nc(Cn2c3ccccc3nc2C(F)(F)F)no1 ZINC000012360427 555957062 /nfs/dbraw/zinc/95/70/62/555957062.db2.gz VIBDSQDLOXUWQP-UHFFFAOYSA-N 0 0 460.376 1.436 50 0 JDAARN CCCN1C(=O)c2cc(C(=O)N3CCC4(CC3)OCCO4)nn2C[C@@]1(C)C(=O)NC1CCCC1 ZINC000015723880 555959017 /nfs/dbraw/zinc/95/90/17/555959017.db2.gz ZVEYPGHWHYCOKG-QHCPKHFHSA-N 0 0 473.574 1.546 50 0 biogenic JDAARN CC(=O)c1cccc(-n2nnnc2SCC(=O)Nc2nn(-c3ccccc3)nc2C(N)=O)c1 ZINC000012364757 555959901 /nfs/dbraw/zinc/95/99/01/555959901.db2.gz WZSDNPYDOXECRN-UHFFFAOYSA-N 0 0 463.483 1.275 50 0 JDAARN O=C1C[C@@H](N2CCN([C@@H]3CC(=O)N(CCc4ccccc4)C3=O)CC2)C(=O)N1CCc1ccccc1 ZINC000022876279 555963219 /nfs/dbraw/zinc/96/32/19/555963219.db2.gz KQVQTKDJHRUHAP-DNQXCXABSA-N 0 0 488.588 1.344 50 0 JDAARN O=C1C[C@@H](N2CCN(CCO)CC2)C(=O)N1c1ccc(Br)cc1Br ZINC000022874513 555963283 /nfs/dbraw/zinc/96/32/83/555963283.db2.gz HBXAKHHHJOBTGD-CQSZACIVSA-N 0 0 461.154 1.453 50 0 JDAARN O=C(Nc1ccc(N2CCCS2(=O)=O)cc1)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1 ZINC000022900387 555964440 /nfs/dbraw/zinc/96/44/40/555964440.db2.gz HKISCMSQCBRLOK-LJQANCHMSA-N 0 0 479.580 1.936 50 0 JDAARN O=C(COc1ccc(Cl)cc1)NCCNC(=O)c1nc(CS(=O)(=O)c2ccccc2)no1 ZINC000012376812 555964775 /nfs/dbraw/zinc/96/47/75/555964775.db2.gz CBVRMAKSSIPNNK-UHFFFAOYSA-N 0 0 478.914 1.622 50 0 JDAARN CC(=O)c1ccc(NC(=O)CSc2nc(=O)n(CCN3CCOCC3)c3c2CCC3)cc1 ZINC000022908874 555965600 /nfs/dbraw/zinc/96/56/00/555965600.db2.gz AFZDRSOAYAXZSD-UHFFFAOYSA-N 0 0 456.568 1.998 50 0 JDAARN COc1cc(NC(=O)CSc2nc(=O)n(CCN3CCOCC3)c3c2CCC3)cc(OC)c1 ZINC000022908907 555965987 /nfs/dbraw/zinc/96/59/87/555965987.db2.gz OUASYEVHBPKCEV-UHFFFAOYSA-N 0 0 474.583 1.812 50 0 JDAARN C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)CN2CCN(Cc3ccc4c(c3)CCO4)CC2)C1=O ZINC000022912729 555968058 /nfs/dbraw/zinc/96/80/58/555968058.db2.gz FNYHTZLDXMQVFF-MHZLTWQESA-N 0 0 491.592 1.714 50 0 JDAARN CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)CN1CCN(CC(=O)NC2CC2)CC1 ZINC000022912842 555968566 /nfs/dbraw/zinc/96/85/66/555968566.db2.gz IXGKMNRRKDPVAJ-UHFFFAOYSA-N 0 0 489.926 1.652 50 0 JDAARN CC(=O)c1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(C)(=O)=O)c1 ZINC000012380209 555968547 /nfs/dbraw/zinc/96/85/47/555968547.db2.gz NBCJNDGWWBTAPK-UHFFFAOYSA-N 0 0 495.579 1.315 50 0 JDAARN O=C(CN1CCN(CC(=O)N2CCCC2)CC1)Nc1cccc(I)c1 ZINC000022915585 555970320 /nfs/dbraw/zinc/97/03/20/555970320.db2.gz CVMXNEKOSDTGJJ-UHFFFAOYSA-N 0 0 456.328 1.470 50 0 JDAARN CCOc1cc(C(=O)N2CCN(c3c(C)n(C)c(=O)n(C)c3=O)CC2)cc(OCC)c1OCC ZINC000015729917 555970970 /nfs/dbraw/zinc/97/09/70/555970970.db2.gz ZHPRROHBQSMXSW-UHFFFAOYSA-N 0 0 474.558 1.551 50 0 JDAARN O=C(CCNS(=O)(=O)c1ccc(N2CCCC2=O)cc1)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000012390468 555973429 /nfs/dbraw/zinc/97/34/29/555973429.db2.gz ZKWRDLUBCPVKOV-SFHVURJKSA-N 0 0 496.593 1.931 50 0 JDAARN COc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cccc4nsnc43)CC2)cc1 ZINC000012390270 555973484 /nfs/dbraw/zinc/97/34/84/555973484.db2.gz KPCAHZDRAYQZSD-UHFFFAOYSA-N 0 0 454.555 1.395 50 0 JDAARN C[C@H]1CSc2ccc(S(=O)(=O)NCCc3ccc(S(N)(=O)=O)cc3)cc2NC1=O ZINC000015731125 555973916 /nfs/dbraw/zinc/97/39/16/555973916.db2.gz KOKDBNADRJUCTG-LBPRGKRZSA-N 0 0 455.583 1.535 50 0 JDAARN CCOC(=O)C1=C(COC(=O)Cc2n[nH]c(=O)c3ccccc23)NC(=O)N[C@H]1c1cccs1 ZINC000012400057 555975378 /nfs/dbraw/zinc/97/53/78/555975378.db2.gz MZLYOHMULDCJFT-IBGZPJMESA-N 0 0 468.491 1.942 50 0 JDAARN O=C(CN1CCN(CC(=O)N2CCOCC2)CC1)Nc1ccccc1C(=O)Nc1ccccc1 ZINC000022921629 555975480 /nfs/dbraw/zinc/97/54/80/555975480.db2.gz RRJCWHFOKOVAHX-UHFFFAOYSA-N 0 0 465.554 1.354 50 0 JDAARN NS(=O)(=O)c1ccc(CCNC(=O)CN2CCN(Cc3c(F)cccc3Cl)CC2)cc1 ZINC000022921818 555975484 /nfs/dbraw/zinc/97/54/84/555975484.db2.gz SQEVFKIDKLJLDW-UHFFFAOYSA-N 0 0 468.982 1.603 50 0 JDAARN O=C(CN1CCN(Cc2ccc3c(c2)OCO3)CC1)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000022928274 555978560 /nfs/dbraw/zinc/97/85/60/555978560.db2.gz OSIGTTDLVGIISD-OAQYLSRUSA-N 0 0 471.579 1.753 50 0 JDAARN COc1cccc([C@]2(C)NC(=O)N(CN3CCN(CC(=O)N4CCCCCC4)CC3)C2=O)c1 ZINC000022928310 555978596 /nfs/dbraw/zinc/97/85/96/555978596.db2.gz XADSKJWXJMDRRF-DEOSSOPVSA-N 0 0 457.575 1.440 50 0 JDAARN O=C(Cn1cnc(S(=O)(=O)N2CCc3ccccc32)c1)N1CCN(c2ccccc2)CC1 ZINC000015767849 555986489 /nfs/dbraw/zinc/98/64/89/555986489.db2.gz BYINULCABWTCQI-UHFFFAOYSA-N 0 0 451.552 1.983 50 0 JDAARN CCCCNC(=O)CN1CCN(CC(=O)NCC(=O)Nc2ccc(Br)cc2C)CC1 ZINC000022935298 555988259 /nfs/dbraw/zinc/98/82/59/555988259.db2.gz WLYPLYRMULNWDZ-UHFFFAOYSA-N 0 0 482.423 1.346 50 0 JDAARN O=C(CN1CCN(CN2C(=O)C(=O)N(Cc3cccs3)C2=O)CC1)Nc1ccccc1Cl ZINC000022945014 555993484 /nfs/dbraw/zinc/99/34/84/555993484.db2.gz XJQLKFXMASCQAF-UHFFFAOYSA-N 0 0 475.958 1.906 50 0 JDAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCCC3)cc2C[C@H]1C(=O)NCCc1c(C)noc1C ZINC000015775574 555993954 /nfs/dbraw/zinc/99/39/54/555993954.db2.gz ORQUWUHLGBFESE-NRFANRHFSA-N 0 0 460.556 1.712 50 0 JDAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCCC3)cc2C[C@H]1C(=O)NCc1c(C)nn(C)c1C ZINC000015775578 555993966 /nfs/dbraw/zinc/99/39/66/555993966.db2.gz CNTRSFCENJEFEO-NRFANRHFSA-N 0 0 459.572 1.415 50 0 JDAARN COc1ccc(S(=O)(=O)NCCNC(=O)[C@H](CCSC)NC(=O)c2ccccc2)cc1 ZINC000022971451 555994064 /nfs/dbraw/zinc/99/40/64/555994064.db2.gz FTPZXFAIKANVDI-IBGZPJMESA-N 0 0 465.597 1.641 50 0 JDAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCOCC3)cc2C[C@H]1C(=O)NCc1cccc(Cl)c1 ZINC000015775739 555994209 /nfs/dbraw/zinc/99/42/09/555994209.db2.gz QEHLALWVOXZEAP-NRFANRHFSA-N 0 0 477.970 1.955 50 0 JDAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCOCC3)cc2C[C@@H]1C(=O)NCc1cccc(Cl)c1 ZINC000015775737 555994267 /nfs/dbraw/zinc/99/42/67/555994267.db2.gz QEHLALWVOXZEAP-OAQYLSRUSA-N 0 0 477.970 1.955 50 0 JDAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCOCC3)cc2C[C@@H]1C(=O)NCCCc1ccccc1 ZINC000015775781 555994545 /nfs/dbraw/zinc/99/45/45/555994545.db2.gz USQPHFXGVBIHRX-HSZRJFAPSA-N 0 0 471.579 1.734 50 0 JDAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCOCC3)cc2C[C@@H]1C(=O)NCCC1=CCCCC1 ZINC000015775838 555994547 /nfs/dbraw/zinc/99/45/47/555994547.db2.gz REOYAYZISDHQEG-JOCHJYFZSA-N 0 0 461.584 1.992 50 0 JDAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCOCC3)cc2C[C@@H]1C(=O)NCc1cccc(C)c1 ZINC000015775801 555994569 /nfs/dbraw/zinc/99/45/69/555994569.db2.gz WPDXLQOQFRMDHK-JOCHJYFZSA-N 0 0 457.552 1.610 50 0 JDAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCOCC3)cc2C[C@H]1C(=O)NCCC1=CCCCC1 ZINC000015775840 555994605 /nfs/dbraw/zinc/99/46/05/555994605.db2.gz REOYAYZISDHQEG-QFIPXVFZSA-N 0 0 461.584 1.992 50 0 JDAARN CCc1ccc(CNC(=O)[C@@H]2Cc3cc(S(=O)(=O)N4CCOCC4)ccc3N2C(C)=O)cc1 ZINC000015775898 555994846 /nfs/dbraw/zinc/99/48/46/555994846.db2.gz QXURLDVLYPREKA-QHCPKHFHSA-N 0 0 471.579 1.864 50 0 JDAARN CCc1ccc(CNC(=O)[C@H]2Cc3cc(S(=O)(=O)N4CCOCC4)ccc3N2C(C)=O)cc1 ZINC000015775900 555994917 /nfs/dbraw/zinc/99/49/17/555994917.db2.gz QXURLDVLYPREKA-HSZRJFAPSA-N 0 0 471.579 1.864 50 0 JDAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)C[C@@H](C(=O)NCCCN1CCCC1=O)N2C(C)=O ZINC000015775969 555995259 /nfs/dbraw/zinc/99/52/59/555995259.db2.gz KXFYRDKFCMLVFP-FQEVSTJZSA-N 0 0 464.588 1.123 50 0 JDAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)C[C@@H](C(=O)N1CCN(c3ncccn3)CC1)N2C(C)=O ZINC000015775921 555995274 /nfs/dbraw/zinc/99/52/74/555995274.db2.gz IFNLAUVWQCMUJT-NRFANRHFSA-N 0 0 486.598 1.134 50 0 JDAARN CSc1nc2nc(C)c(CC(=O)OCC(=O)NCc3ccccc3CN3CCOCC3)c(C)n2n1 ZINC000022988599 555995369 /nfs/dbraw/zinc/99/53/69/555995369.db2.gz NPNAAXSLXGGBMI-UHFFFAOYSA-N 0 0 498.609 1.697 50 0 JDAARN CCCn1c(N)c(N(CCOC)C(=O)c2csc(COc3ccc(F)cc3)n2)c(=O)[nH]c1=O ZINC000022991295 555995911 /nfs/dbraw/zinc/99/59/11/555995911.db2.gz YAKOOVWVMGEYLL-UHFFFAOYSA-N 0 0 477.518 1.997 50 0 JDAARN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCc3ccccc32)C(=O)N2CCN(C)CC2)cc1 ZINC000022996637 555996227 /nfs/dbraw/zinc/99/62/27/555996227.db2.gz UGFPPURTDROVID-UHFFFAOYSA-N 0 0 456.568 1.942 50 0 JDAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C(N)=O)cc2)C(=O)N2CCN(C)CC2)cc1 ZINC000022996746 555996564 /nfs/dbraw/zinc/99/65/64/555996564.db2.gz BFJIFNQIIQGBIQ-UHFFFAOYSA-N 0 0 473.555 1.091 50 0 JDAARN Cc1ccc(CNC(=O)CN(C(=O)N2CCN(C)CC2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000022996743 555996714 /nfs/dbraw/zinc/99/67/14/555996714.db2.gz FGAGOVDCIJKHEZ-UHFFFAOYSA-N 0 0 458.584 1.978 50 0 JDAARN Cc1cccc(N2CCN(CCNC(=O)CN(C)c3nnc(N4CCCC4=O)s3)CC2)c1C ZINC000015777299 555996858 /nfs/dbraw/zinc/99/68/58/555996858.db2.gz LCSKGAQIOWDHHE-UHFFFAOYSA-N 0 0 471.631 1.656 50 0 JDAARN Cc1nn(CCC(=O)N2CCN(c3ccccc3)CC2)c(C)c1S(=O)(=O)N1CCOCC1 ZINC000015777542 555997274 /nfs/dbraw/zinc/99/72/74/555997274.db2.gz LDUAFVLAMBUNQJ-UHFFFAOYSA-N 0 0 461.588 1.260 50 0 JDAARN COC(=O)C1CCN(C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2Cl)CC1 ZINC000012528978 555997770 /nfs/dbraw/zinc/99/77/70/555997770.db2.gz WQZSSVPJBQLXCA-UHFFFAOYSA-N 0 0 460.936 1.151 50 0 JDAARN COc1ccc(CC(=O)N2CCN(S(=O)(=O)c3cc4c5c(c3)CCC(=O)N5CCC4)CC2)cc1 ZINC000015779789 555998139 /nfs/dbraw/zinc/99/81/39/555998139.db2.gz GHGHOKYIAFYNIA-UHFFFAOYSA-N 0 0 483.590 1.996 50 0 JDAARN O=C(c1ccc2c(c1)OCO2)N1CCN(S(=O)(=O)c2cc3c4c(c2)CCC(=O)N4CCC3)CC1 ZINC000015779845 555998487 /nfs/dbraw/zinc/99/84/87/555998487.db2.gz VVZLMZKVFAQCPC-UHFFFAOYSA-N 0 0 483.546 1.787 50 0 JDAARN O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000012529198 555998482 /nfs/dbraw/zinc/99/84/82/555998482.db2.gz DJQKNSPKQICWJP-UHFFFAOYSA-N 0 0 479.580 1.744 50 0 JDAARN CCOC(=O)c1cccc(NC(=O)CS(=O)(=O)c2ccc3c(c2)S(=O)(=O)N=CN3)c1 ZINC000015780168 555998929 /nfs/dbraw/zinc/99/89/29/555998929.db2.gz WRXZNVJUHPVVOZ-UHFFFAOYSA-N 0 0 451.482 1.418 50 0 JDAARN COc1ccc(NC(=O)CS(=O)(=O)c2ccc3c(c2)S(=O)(=O)N=C(C)N3)cc1OC ZINC000015780180 555998946 /nfs/dbraw/zinc/99/89/46/555998946.db2.gz ZPPVTKRLIGJCLC-UHFFFAOYSA-N 0 0 453.498 1.649 50 0 JDAARN O=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000012530180 556000011 /nfs/dbraw/zinc/00/00/11/556000011.db2.gz LLIHSJRXACCTKR-UHFFFAOYSA-N 0 0 499.636 1.735 50 0 JDAARN O=C(NCc1ccccc1S(=O)(=O)N1CCOCC1)[C@@H]1CC(=O)N(c2ccccc2F)C1 ZINC000023041388 556001471 /nfs/dbraw/zinc/00/14/71/556001471.db2.gz HOUFTBSXDVGIGR-QGZVFWFLSA-N 0 0 461.515 1.516 50 0 JDAARN 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CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NC[C@@H]1COc3ccccc3O1)n2C ZINC000012585274 556082969 /nfs/dbraw/zinc/08/29/69/556082969.db2.gz DOKIXVVEJJEGQT-OAHLLOKOSA-N 0 0 458.540 1.712 50 0 JDAARN COc1ccc(CN2CCN(C(=O)CCCN3C(=O)NC4(CCCC4)C3=O)CC2)cc1OC ZINC000023674065 556082992 /nfs/dbraw/zinc/08/29/92/556082992.db2.gz FEPSFTRSWMOHPY-UHFFFAOYSA-N 0 0 458.559 1.993 50 0 JDAARN CCCN(C(=O)[C@H]1CS[C@]2(C)CCC(=O)N12)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000023682011 556083320 /nfs/dbraw/zinc/08/33/20/556083320.db2.gz HNMFTPSGSHKLTK-IVZQSRNASA-N 0 0 457.556 1.364 50 0 JDAARN CCOC(=O)C1CCN(CC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2C)CC1 ZINC000012586540 556083491 /nfs/dbraw/zinc/08/34/91/556083491.db2.gz IEHGPXPNCWDNQK-UHFFFAOYSA-N 0 0 453.561 1.230 50 0 JDAARN C[C@H](NC(=O)COC(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O)c1ccc2c(c1)OCCO2 ZINC000023701187 556083938 /nfs/dbraw/zinc/08/39/38/556083938.db2.gz PAMURIIWYRJGHS-VZSHHBOJSA-N 0 0 459.499 1.679 50 0 JDAARN O=C(CN1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)N(C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000023705077 556084633 /nfs/dbraw/zinc/08/46/33/556084633.db2.gz XOSVXZLEKLNKAC-OAQYLSRUSA-N 0 0 491.635 1.324 50 0 JDAARN CC(C)(CNC(=O)c1ccc(NC(=O)Cc2sc(N3CCCC3)nc2O)cc1)N1CCOCC1 ZINC000023717379 556084952 /nfs/dbraw/zinc/08/49/52/556084952.db2.gz QBVSKAYCJVPKQM-LJQANCHMSA-N 0 0 487.626 1.950 50 0 JDAARN CC(C)(CNC(=O)c1ccc(NC(=O)Cc2sc(N3CCCC3)nc2O)cc1)N1CCOCC1 ZINC000023717376 556085015 /nfs/dbraw/zinc/08/50/15/556085015.db2.gz QBVSKAYCJVPKQM-IBGZPJMESA-N 0 0 487.626 1.950 50 0 JDAARN C[C@]1(C2CC2)NC(=O)N(CN2CCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)C1=O ZINC000023731688 556085932 /nfs/dbraw/zinc/08/59/32/556085932.db2.gz XCFQVHXSWUQVEZ-GOSISDBHSA-N 0 0 476.477 1.570 50 0 JDAARN O=C(c1ccc(N2CCCS2(=O)=O)cc1)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 ZINC000023731973 556085947 /nfs/dbraw/zinc/08/59/47/556085947.db2.gz NDKMPFDRZMOQRM-UHFFFAOYSA-N 0 0 473.580 1.254 50 0 JDAARN C[C@@H]1C[C@H](C)CN(C(=O)CN2CCN(C(=O)c3cccc(S(=O)(=O)N4CCCC4)c3)CC2)C1 ZINC000012590484 556086612 /nfs/dbraw/zinc/08/66/12/556086612.db2.gz BSYBJGQXCBOCQP-BGYRXZFFSA-N 0 0 476.643 1.733 50 0 JDAARN C[C@@H](OC(=O)c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1)C(=O)N1CCCC1 ZINC000023742002 556086864 /nfs/dbraw/zinc/08/68/64/556086864.db2.gz NFCFDNKWOHGGSE-CYBMUJFWSA-N 0 0 458.496 1.825 50 0 JDAARN NC(=O)C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]21 ZINC000015953554 556087196 /nfs/dbraw/zinc/08/71/96/556087196.db2.gz CYQDZXIVJYKOBF-CCFTVXDOSA-N 0 0 469.295 1.250 50 0 biogenic JDAARN C[C@@H]1CCCC[C@]12NC(=O)N(CN1CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC1)C2=O ZINC000023762824 556087830 /nfs/dbraw/zinc/08/78/30/556087830.db2.gz OAGVIPLPRZCNKQ-HXOBKFHXSA-N 0 0 492.598 1.612 50 0 JDAARN Cc1cccc(CN2CCN(C(=O)CN(C)[C@@H](C)C(=O)Nc3ccc(C(N)=O)cc3)CC2)c1 ZINC000023762903 556087850 /nfs/dbraw/zinc/08/78/50/556087850.db2.gz AHMRCWBMIWJBDS-IBGZPJMESA-N 0 0 451.571 1.697 50 0 JDAARN CCc1nn2c(nc(CN3CCN(S(=O)(=O)c4ccc5c(c4)OCCCO5)CC3)cc2=O)s1 ZINC000023763417 556087972 /nfs/dbraw/zinc/08/79/72/556087972.db2.gz CYHWZBOISJTGQG-UHFFFAOYSA-N 0 0 491.595 1.381 50 0 JDAARN Cc1cccc(CN2CCN(C(=O)[C@H](CCS(C)(=O)=O)N3C(=O)c4ccccc4C3=O)CC2)c1 ZINC000023788733 556088163 /nfs/dbraw/zinc/08/81/63/556088163.db2.gz BTSDRUNZPBXPNZ-QFIPXVFZSA-N 0 0 483.590 1.739 50 0 JDAARN O=S(=O)(CCN1CCN(CCS(=O)(=O)Oc2ccccc2)CC1)Oc1ccccc1 ZINC000023777129 556088202 /nfs/dbraw/zinc/08/82/02/556088202.db2.gz WVFJYVYCZJQWDS-UHFFFAOYSA-N 0 0 454.570 1.422 50 0 JDAARN COc1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)[C@H]([C@@H](C)O)N[C@]32C(=O)Nc3c2cc(Cl)cc3C)cc1 ZINC000015956631 556088436 /nfs/dbraw/zinc/08/84/36/556088436.db2.gz HAZDICSIAPABTK-LBGIPMNZSA-N 0 0 469.925 1.958 50 0 biogenic JDAARN COc1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)[C@H]([C@@H](C)O)N[C@]32C(=O)Nc3ccc(Cl)cc32)cc1 ZINC000015956864 556088813 /nfs/dbraw/zinc/08/88/13/556088813.db2.gz WDHLJWGPWDLVFW-HOTVIMPFSA-N 0 0 455.898 1.650 50 0 biogenic JDAARN C[C@H](C(=O)N1CCN(Cc2ccccc2)CC1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000023817120 556089254 /nfs/dbraw/zinc/08/92/54/556089254.db2.gz KUZBWSDLWGZFFX-HXUWFJFHSA-N 0 0 474.602 1.865 50 0 JDAARN CC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCN(CCOc3ccccc3)CC2)cc1 ZINC000023817993 556089693 /nfs/dbraw/zinc/08/96/93/556089693.db2.gz PXOLYDAKJSFCCG-SFHVURJKSA-N 0 0 459.568 1.779 50 0 JDAARN CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](CC(N)=O)N[C@@]32c3cc(Cl)ccc3NC2=O)cc1 ZINC000015958631 556090237 /nfs/dbraw/zinc/09/02/37/556090237.db2.gz GTSCOLQJGCZSNV-BKJGLDIHSA-N 0 0 496.907 1.317 50 0 biogenic JDAARN Cc1cc2c(c(Cl)c1)NC(=O)[C@@]21N[C@H](CC(N)=O)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21 ZINC000015958835 556090732 /nfs/dbraw/zinc/09/07/32/556090732.db2.gz IDYAUYJHCDEREF-SAQZZPNQSA-N 0 0 452.898 1.444 50 0 biogenic JDAARN C[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)N1CCN(Cc2ccncc2)CC1 ZINC000023846390 556092103 /nfs/dbraw/zinc/09/21/03/556092103.db2.gz XOYYETJIVSQKKE-KRWDZBQOSA-N 0 0 460.556 1.254 50 0 JDAARN COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1C(=O)OCc1nc(-c2ccccc2OC)no1 ZINC000023865114 556093881 /nfs/dbraw/zinc/09/38/81/556093881.db2.gz QPRPEKAEHKWMNH-UHFFFAOYSA-N 0 0 457.439 1.902 50 0 JDAARN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC[C@H]1CN(Cc2ccccc2)CCO1 ZINC000023865373 556093918 /nfs/dbraw/zinc/09/39/18/556093918.db2.gz AEJMXBMNZSTIOG-NRFANRHFSA-N 0 0 473.595 1.647 50 0 JDAARN COc1ccc(C(=O)NCc2ccccc2CN2CCOCC2)cc1S(=O)(=O)NC1CC1 ZINC000023867084 556095602 /nfs/dbraw/zinc/09/56/02/556095602.db2.gz OSOPVMRHJWPXSG-UHFFFAOYSA-N 0 0 459.568 1.898 50 0 JDAARN Cc1cc(Cl)cc2c1NC(=O)[C@@]21N[C@@H](CC(N)=O)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000015969627 556095692 /nfs/dbraw/zinc/09/56/92/556095692.db2.gz IBJQJMXXEBRGSG-NARGUJOISA-N 0 0 466.925 1.487 50 0 biogenic JDAARN Cc1cc(Cl)cc2c1NC(=O)[C@]21N[C@H](CC(N)=O)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000015969633 556095708 /nfs/dbraw/zinc/09/57/08/556095708.db2.gz IBJQJMXXEBRGSG-BKJGLDIHSA-N 0 0 466.925 1.487 50 0 biogenic JDAARN O=C(c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000023873101 556096584 /nfs/dbraw/zinc/09/65/84/556096584.db2.gz YJWOVSFVTBOQQS-HXUWFJFHSA-N 0 0 487.578 1.831 50 0 JDAARN O=S(=O)(Cc1ccccc1)N1CCN(Cc2cccc(S(=O)(=O)N3CCOCC3)c2)CC1 ZINC000023873085 556096636 /nfs/dbraw/zinc/09/66/36/556096636.db2.gz BNLBEYWMPRXPCR-UHFFFAOYSA-N 0 0 479.624 1.355 50 0 JDAARN CN(CC(=O)N1CCN(C)CC1)C(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1 ZINC000023873232 556096797 /nfs/dbraw/zinc/09/67/97/556096797.db2.gz GRFJDMMVFOOPIL-UHFFFAOYSA-N 0 0 470.595 1.280 50 0 JDAARN O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000023873352 556097156 /nfs/dbraw/zinc/09/71/56/556097156.db2.gz ONJAKICOIDPSIX-QGZVFWFLSA-N 0 0 472.592 1.456 50 0 JDAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CN(C)c1ccc(S(=O)(=O)N2CCCC2)cn1 ZINC000023873443 556097162 /nfs/dbraw/zinc/09/71/62/556097162.db2.gz ZXHZJXXSYGBVMD-QGZVFWFLSA-N 0 0 467.617 1.675 50 0 JDAARN COc1ccc(N2C(=O)C(=O)N(CN3CCCN(S(=O)(=O)c4ccc(F)cc4)CC3)C2=O)cc1 ZINC000023881128 556097902 /nfs/dbraw/zinc/09/79/02/556097902.db2.gz WOKQHLGNOIOHLD-UHFFFAOYSA-N 0 0 490.513 1.484 50 0 JDAARN O=C1c2cc(F)ccc2N(CN2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)C1=O ZINC000023881887 556098233 /nfs/dbraw/zinc/09/82/33/556098233.db2.gz QPCYPLAUPLTCFP-UHFFFAOYSA-N 0 0 475.498 1.480 50 0 JDAARN Cn1nnnc1SCC(=O)Nc1ccc(C(=O)N2CCN(CCOc3ccccc3)CC2)cc1 ZINC000023882138 556098637 /nfs/dbraw/zinc/09/86/37/556098637.db2.gz UKNLJZKBONLZAE-UHFFFAOYSA-N 0 0 481.582 1.778 50 0 JDAARN COc1ccc(S(=O)(=O)N2CCN(CN3C(=O)N[C@](C)(c4ccc5c(c4)CCC5)C3=O)CC2)cc1 ZINC000023882224 556098657 /nfs/dbraw/zinc/09/86/57/556098657.db2.gz ZPJUSOXVEIIPIL-RUZDIDTESA-N 0 0 498.605 1.915 50 0 JDAARN CCc1cc2c(cc1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)oc(C)c(-c1ccc3c(c1)OCO3)c2=O ZINC000012656977 556099352 /nfs/dbraw/zinc/09/93/52/556099352.db2.gz ZNSJKSGSZMLRQF-CPSSSWKVSA-N 0 0 486.473 1.238 50 0 biogenic JDAARN C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)C1=O ZINC000023948190 556103694 /nfs/dbraw/zinc/10/36/94/556103694.db2.gz VVIVYOCSYVNKDX-QHCPKHFHSA-N 0 0 470.551 1.987 50 0 JDAARN CCn1c(CN2CCN(c3ncccn3)CC2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000023956306 556104841 /nfs/dbraw/zinc/10/48/41/556104841.db2.gz KKVWSYXJPTVOLD-UHFFFAOYSA-N 0 0 471.587 1.189 50 0 JDAARN O=C([C@@H](Cc1ccccc1)n1cnnn1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000012758688 556108579 /nfs/dbraw/zinc/10/85/79/556108579.db2.gz KEEAHBJDTQSVAI-JOCHJYFZSA-N 0 0 466.567 1.479 50 0 JDAARN NC(=O)C[C@@H]1N[C@@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(Cc3ccccc3Cl)C(=O)[C@@H]21 ZINC000016011871 556110592 /nfs/dbraw/zinc/11/05/92/556110592.db2.gz VVTBSMYAGVVXCF-KANGHSEISA-N 0 0 473.316 1.789 50 0 JDAARN COc1ccccc1CN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CC(N)=O)N[C@@]21c2ccc(Cl)c(C)c2NC1=O ZINC000016012013 556111003 /nfs/dbraw/zinc/11/10/03/556111003.db2.gz MAGHCENZLGOWSY-RSOWOLOUSA-N 0 0 482.924 1.453 50 0 JDAARN NC(=O)C[C@H]1N[C@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(Cc3ccccc3Cl)C(=O)[C@H]12 ZINC000016012637 556111304 /nfs/dbraw/zinc/11/13/04/556111304.db2.gz OQMFCUJHSQGUCN-XNGFIGEISA-N 0 0 456.861 1.275 50 0 JDAARN COc1ccccc1CN1C(=O)[C@@H]2[C@H](C1=O)[C@H]([C@@H](C)O)N[C@]21C(=O)Nc2c1ccc(Cl)c2C ZINC000016012846 556111717 /nfs/dbraw/zinc/11/17/17/556111717.db2.gz NIYWENHKSUWDEC-LBGIPMNZSA-N 0 0 469.925 1.958 50 0 JDAARN Cc1ccc2c(c1C)NC(=O)[C@@]21N[C@H](CC(N)=O)[C@H]2C(=O)N(Cc3ccccc3Cl)C(=O)[C@H]21 ZINC000016013166 556112010 /nfs/dbraw/zinc/11/20/10/556112010.db2.gz LPKBYCXQBOYVBB-SYSFZUQMSA-N 0 0 466.925 1.753 50 0 JDAARN COc1cccc(NC(=O)CN(C)C(=O)CN2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1 ZINC000012785368 556112989 /nfs/dbraw/zinc/11/29/89/556112989.db2.gz HTLJVYKSMLYBAN-UHFFFAOYSA-N 0 0 478.546 1.238 50 0 JDAARN O=C([O-])CC[C@@H]1[NH2+][C@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@@H]21 ZINC000016020369 556113010 /nfs/dbraw/zinc/11/30/10/556113010.db2.gz QCWOALXBNDMMTD-GHCZAOPSSA-N 0 0 451.454 1.654 50 0 JDAARN O=C([O-])CC[C@H]1[NH2+][C@@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]12 ZINC000016020374 556113106 /nfs/dbraw/zinc/11/31/06/556113106.db2.gz QCWOALXBNDMMTD-ZHNFZGJGSA-N 0 0 451.454 1.654 50 0 JDAARN NS(=O)(=O)c1ccc(CCNC(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 ZINC000012799153 556113938 /nfs/dbraw/zinc/11/39/38/556113938.db2.gz NVYRPVGNWMLGMI-UHFFFAOYSA-N 0 0 479.624 1.800 50 0 JDAARN O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1)c1cccs1 ZINC000023990021 556114072 /nfs/dbraw/zinc/11/40/72/556114072.db2.gz ZIZIEPUSLDTBDE-MOPGFXCFSA-N 0 0 461.609 1.421 50 0 JDAARN C[C@@H](C(=O)Nc1sc2c(c1C(N)=O)CCC2)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000012804874 556114588 /nfs/dbraw/zinc/11/45/88/556114588.db2.gz QZKBGMWXHJNDCE-KBXCAEBGSA-N 0 0 484.578 1.647 50 0 JDAARN O=C(C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 ZINC000012805027 556114937 /nfs/dbraw/zinc/11/49/37/556114937.db2.gz AXNULQHEHNRBHN-GJZGRUSLSA-N 0 0 476.580 1.974 50 0 JDAARN O=C(C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)N(C[C@H]1CCCO1)c1nc2ccccc2s1 ZINC000012805016 556114941 /nfs/dbraw/zinc/11/49/41/556114941.db2.gz AXNULQHEHNRBHN-HUUCEWRRSA-N 0 0 476.580 1.974 50 0 JDAARN O=C(NCc1ccccc1CN1CCOCC1)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 ZINC000023994678 556115124 /nfs/dbraw/zinc/11/51/24/556115124.db2.gz XMHNUUDPMANHNL-UHFFFAOYSA-N 0 0 477.558 1.609 50 0 JDAARN O=C(c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1Cl)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000023995525 556115318 /nfs/dbraw/zinc/11/53/18/556115318.db2.gz ZPTFIQBNSGMPFO-CYBMUJFWSA-N 0 0 496.438 1.379 50 0 JDAARN O=C(c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1Cl)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000023995527 556115391 /nfs/dbraw/zinc/11/53/91/556115391.db2.gz ZPTFIQBNSGMPFO-ZDUSSCGKSA-N 0 0 496.438 1.379 50 0 JDAARN O=C(C(=O)N1CCN(Cc2nc(=O)c3c(-c4ccc(F)cc4)csc3[nH]2)CC1)N1CCOCC1 ZINC000023995891 556115840 /nfs/dbraw/zinc/11/58/40/556115840.db2.gz WCVAZOFSLHZANG-UHFFFAOYSA-N 0 0 485.541 1.294 50 0 JDAARN NS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)c1 ZINC000024013427 556116353 /nfs/dbraw/zinc/11/63/53/556116353.db2.gz MBQVTVYNMXWEEB-UHFFFAOYSA-N 0 0 486.594 1.064 50 0 JDAARN COCC1=C(C(=O)OC)[C@]2(c3ccccc3NC2=O)C(C(=O)OCc2ccccc2)=C(N)O1 ZINC000016029324 556116630 /nfs/dbraw/zinc/11/66/30/556116630.db2.gz QBENIHQTLQZUCY-XMMPIXPASA-N 0 0 450.447 1.894 50 0 JDAARN NC(=O)C[C@H]1N[C@@]2(C(=O)Nc3c2cccc3Cl)[C@@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]12 ZINC000016033842 556117940 /nfs/dbraw/zinc/11/79/40/556117940.db2.gz GDKHVNLGHXSZDG-PPSDVSMJSA-N 0 0 456.861 1.275 50 0 JDAARN O=C([O-])CC[C@@H]1[NH2+][C@@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@@H]21 ZINC000016034015 556118348 /nfs/dbraw/zinc/11/83/48/556118348.db2.gz FGCQQSFWAVNJSF-QYUDBREXSA-N 0 0 455.417 1.750 50 0 JDAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)CN1c2ccccc2OCCC1=O ZINC000024071688 556118751 /nfs/dbraw/zinc/11/87/51/556118751.db2.gz OWTICPUQNRBMBK-QGZVFWFLSA-N 0 0 460.556 1.634 50 0 JDAARN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CCn1nc(-c2cccs2)oc1=O ZINC000012860068 556118902 /nfs/dbraw/zinc/11/89/02/556118902.db2.gz JLZDWEQBWQKXNK-UHFFFAOYSA-N 0 0 478.552 1.923 50 0 JDAARN O=C(c1cc(F)cc(F)c1)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 ZINC000024097059 556121349 /nfs/dbraw/zinc/12/13/49/556121349.db2.gz UDVJEWKQYXQUJZ-UHFFFAOYSA-N 0 0 452.483 1.343 50 0 JDAARN CC(=O)N1CCc2cc(C(=O)N3CCC(C(=O)Nc4ccc(S(N)(=O)=O)cc4)CC3)ccc21 ZINC000024111960 556122024 /nfs/dbraw/zinc/12/20/24/556122024.db2.gz IYNXDRDTKOZLTL-UHFFFAOYSA-N 0 0 470.551 1.734 50 0 JDAARN C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)Nc3cccc(S(=O)(=O)N(C)C)c3)c2)C[C@H](C)O1 ZINC000016043377 556122467 /nfs/dbraw/zinc/12/24/67/556122467.db2.gz ITGYOPOKVYSYJY-IYBDPMFKSA-N 0 0 481.596 1.987 50 0 JDAARN CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1Oc1ccc2c(c1)CC[C@H]1[C@@H]3CCC(=O)[C@@]3(C)CC[C@H]21 ZINC000012881088 556123696 /nfs/dbraw/zinc/12/36/96/556123696.db2.gz GUDKVGOOQSWBLK-CRPSZJDASA-N 0 0 473.566 1.434 50 0 biogenic JDAARN CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000012907769 556126859 /nfs/dbraw/zinc/12/68/59/556126859.db2.gz CUKUPNUEQDNTFK-HXUWFJFHSA-N 0 0 477.608 1.457 50 0 JDAARN CC(C)CN(CC(C)C)C(=O)COn1nnc2ccc(S(=O)(=O)N3CCOCC3)cc21 ZINC000012907730 556126924 /nfs/dbraw/zinc/12/69/24/556126924.db2.gz YWKCBCQFCLMHPW-UHFFFAOYSA-N 0 0 453.565 1.021 50 0 JDAARN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CNC(=O)c1ccc2c(c1)OCO2 ZINC000012908329 556127409 /nfs/dbraw/zinc/12/74/09/556127409.db2.gz GVSYDSMPSBJVGU-UHFFFAOYSA-N 0 0 461.496 1.113 50 0 JDAARN CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12 ZINC000012908448 556127452 /nfs/dbraw/zinc/12/74/52/556127452.db2.gz UHKAABXHBWPMSI-OXJNMPFZSA-N 0 0 469.585 1.499 50 0 JDAARN O=C(CSc1n[nH]c(=O)n1Cc1ccccc1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000012908509 556127725 /nfs/dbraw/zinc/12/77/25/556127725.db2.gz BDZSPUOSOVGNKU-FQEVSTJZSA-N 0 0 495.561 1.223 50 0 JDAARN NS(=O)(=O)c1ccc(Br)c(C(=O)NCc2ccccc2CN2CCOCC2)c1 ZINC000024379575 556130205 /nfs/dbraw/zinc/13/02/05/556130205.db2.gz CCXJUAOBWVKJSI-UHFFFAOYSA-N 0 0 468.373 1.859 50 0 JDAARN CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)OCc3cn4cc(C)ccc4n3)c2)CC1 ZINC000016250498 556131339 /nfs/dbraw/zinc/13/13/39/556131339.db2.gz KHEFQSVTMSNHPC-UHFFFAOYSA-N 0 0 456.524 1.853 50 0 JDAARN O=C(COC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)NC(=O)NCc1cccs1 ZINC000024509532 556133024 /nfs/dbraw/zinc/13/30/24/556133024.db2.gz ZBMFNJFJRCRAKW-UHFFFAOYSA-N 0 0 483.543 1.857 50 0 JDAARN CCOC(=O)Cn1c(=O)c2c3c(sc2n(CC(=O)N2CCC(C)CC2)c1=O)COC(C)(C)C3 ZINC000024545375 556135457 /nfs/dbraw/zinc/13/54/57/556135457.db2.gz IBAQZGSQQNZMBC-UHFFFAOYSA-N 0 0 477.583 1.898 50 0 JDAARN C[C@@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000012916891 556136061 /nfs/dbraw/zinc/13/60/61/556136061.db2.gz AVWYLUYGHXBJBH-YOEHRIQHSA-N 0 0 451.545 1.100 50 0 JDAARN CCN(C(=O)Cn1cccc(C(F)(F)F)c1=O)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000024587684 556137370 /nfs/dbraw/zinc/13/73/70/556137370.db2.gz DSLYJPLMZBDDGN-UHFFFAOYSA-N 0 0 463.416 1.401 50 0 JDAARN Cc1ccc(S(=O)(=O)NCCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1C ZINC000012918714 556137661 /nfs/dbraw/zinc/13/76/61/556137661.db2.gz NMMKFUXLDGYNQN-UHFFFAOYSA-N 0 0 465.597 1.505 50 0 JDAARN COc1cc2nc(CN3CCOCC3)n(CC(=O)N3CCc4ccccc4C3)c(=O)c2cc1OC ZINC000024601193 556137728 /nfs/dbraw/zinc/13/77/28/556137728.db2.gz MCKKDKMVKQFHLE-UHFFFAOYSA-N 0 0 478.549 1.831 50 0 JDAARN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N3CCN([C@@H]4CCS(=O)(=O)C4)CC3)cc2)cc1 ZINC000024602220 556138317 /nfs/dbraw/zinc/13/83/17/556138317.db2.gz NWFKGKUADXYBKN-OAQYLSRUSA-N 0 0 491.635 1.765 50 0 JDAARN O=C(CCNS(=O)(=O)c1ccccc1F)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000012920997 556139595 /nfs/dbraw/zinc/13/95/95/556139595.db2.gz BXHAJAHTIRGVQP-UHFFFAOYSA-N 0 0 473.523 1.166 50 0 JDAARN CCCCN(C(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000012921110 556139751 /nfs/dbraw/zinc/13/97/51/556139751.db2.gz NOALDGKYUJNSFS-QMHKHESXSA-N 0 0 471.583 1.754 50 0 JDAARN CS(=O)(=O)N1CCCc2cc(C(=O)N3CCN(CC(=O)Nc4cccc(F)c4)CC3)ccc21 ZINC000012922043 556140478 /nfs/dbraw/zinc/14/04/78/556140478.db2.gz NONUKJMNEZQPQQ-UHFFFAOYSA-N 0 0 474.558 1.934 50 0 JDAARN Cc1nnnn1/C(=C\c1ccccc1)C(=O)OCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1C ZINC000012924042 556142500 /nfs/dbraw/zinc/14/25/00/556142500.db2.gz GVKXQLYTIQGVIJ-NDENLUEZSA-N 0 0 484.538 1.720 50 0 JDAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(=O)n(CCOc4ccccc4)n3)CC2)cc1 ZINC000012925398 556143729 /nfs/dbraw/zinc/14/37/29/556143729.db2.gz YYFOKPKZOCEGGT-UHFFFAOYSA-N 0 0 482.562 1.777 50 0 JDAARN O=C(CCNS(=O)(=O)c1ccccc1F)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000012927543 556145503 /nfs/dbraw/zinc/14/55/03/556145503.db2.gz ZYABIVGLRIOWOH-UHFFFAOYSA-N 0 0 473.523 1.166 50 0 JDAARN COc1ccc(CN2CCN(S(=O)(=O)CCN(C)S(=O)(=O)c3ccc(F)cc3)CC2)cc1 ZINC000024707718 556146140 /nfs/dbraw/zinc/14/61/40/556146140.db2.gz KEVKERCXHOQJQM-UHFFFAOYSA-N 0 0 485.603 1.602 50 0 JDAARN Cc1ccc(C(=O)N2CCCN(CC(=O)N(C)C)CC2)cc1S(=O)(=O)NCc1ccccc1 ZINC000024712532 556146526 /nfs/dbraw/zinc/14/65/26/556146526.db2.gz HGXFPIPPSLSMCW-UHFFFAOYSA-N 0 0 472.611 1.710 50 0 JDAARN Cn1cnc2c1c(=O)n(CCCSc1nc3ccccc3c(=O)n1C[C@H]1CCCO1)c(=O)n2C ZINC000024718808 556147082 /nfs/dbraw/zinc/14/70/82/556147082.db2.gz BIKKEPPCJPLLOW-OAHLLOKOSA-N 0 0 482.566 1.505 50 0 JDAARN CCS(=O)(=O)N1C[C@H](C(=O)Nc2ccccc2C(=O)N2CCOCC2)Oc2ccccc21 ZINC000016651489 556149588 /nfs/dbraw/zinc/14/95/88/556149588.db2.gz QBEFQFZIESMGMG-HXUWFJFHSA-N 0 0 459.524 1.715 50 0 JDAARN O=C(Cn1c(=O)c(N2CCOCC2)nc2ccccc21)N1CCN(c2ccc(F)cc2)CC1 ZINC000024755510 556150366 /nfs/dbraw/zinc/15/03/66/556150366.db2.gz ZJICSEGZCWNLQF-UHFFFAOYSA-N 0 0 451.502 1.721 50 0 JDAARN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSc1nnnn1CC(C)C ZINC000024756188 556150686 /nfs/dbraw/zinc/15/06/86/556150686.db2.gz VESDRDGKWPQLMK-UHFFFAOYSA-N 0 0 454.578 1.389 50 0 JDAARN Cc1nc2ccccc2c(C)c1CC(=O)N1CCN(S(=O)(=O)c2cc(C(N)=O)n(C)c2)CC1 ZINC000024760443 556151532 /nfs/dbraw/zinc/15/15/32/556151532.db2.gz QGGCXLUZYNIPOL-UHFFFAOYSA-N 0 0 469.567 1.365 50 0 JDAARN CCCCn1c(N)c(N(CCOC)C(=O)COC(=O)COc2cc(C)ccc2Cl)c(=O)[nH]c1=O ZINC000012937968 556152359 /nfs/dbraw/zinc/15/23/59/556152359.db2.gz QRWUBDZQKHTATM-UHFFFAOYSA-N 0 0 496.948 1.482 50 0 JDAARN Cc1noc(C)c1COc1ccc(CC(=O)O[C@@H](C)C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000012938256 556152470 /nfs/dbraw/zinc/15/24/70/556152470.db2.gz HWYWDULSMUCURQ-DOTOQJQBSA-N 0 0 450.513 1.648 50 0 JDAARN O=C(CNS(=O)(=O)c1ccc(N2CCCC2=O)cc1)N1CCN(CCOc2ccccc2)CC1 ZINC000012939220 556152999 /nfs/dbraw/zinc/15/29/99/556152999.db2.gz VQKUTGIWNBUDCU-UHFFFAOYSA-N 0 0 486.594 1.315 50 0 JDAARN Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)CSc2nnc(C3CCCCC3)n2N)CC1 ZINC000024770585 556153587 /nfs/dbraw/zinc/15/35/87/556153587.db2.gz GLYKCCPDIDYMSC-UHFFFAOYSA-N 0 0 483.620 1.270 50 0 JDAARN C[C@H](OC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1)C(=O)N1CC(=O)Nc2ccccc21 ZINC000012945705 556157303 /nfs/dbraw/zinc/15/73/03/556157303.db2.gz 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/nfs/dbraw/zinc/15/40/97/195154097.db2.gz VZQWLKRPMBWXJI-ZHRRBRCNSA-N 0 0 464.588 1.631 50 0 JDAARN C[C@H](OC(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000012851789 195155028 /nfs/dbraw/zinc/15/50/28/195155028.db2.gz JENFQUMHTHTIQI-DOTOQJQBSA-N 0 0 459.524 1.295 50 0 JDAARN Cc1ccccc1C(=O)NCC(=O)O[C@H](C)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000012852158 195155211 /nfs/dbraw/zinc/15/52/11/195155211.db2.gz KKJJKHDDWCIUDT-QGZVFWFLSA-N 0 0 489.550 1.316 50 0 JDAARN Cc1ccccc1C(=O)NCC(=O)O[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000012852161 195155229 /nfs/dbraw/zinc/15/52/29/195155229.db2.gz KKJJKHDDWCIUDT-KRWDZBQOSA-N 0 0 489.550 1.316 50 0 JDAARN CCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(-n4cncn4)nc3)CC2)cc1OCC ZINC000012852450 195155246 /nfs/dbraw/zinc/15/52/46/195155246.db2.gz WVWXPKXDSQCRBY-UHFFFAOYSA-N 0 0 486.554 1.606 50 0 JDAARN CCOC(=O)c1ccc(S(=O)(=O)N2CCN(Cn3nnn(C[C@@H]4CCCO4)c3=S)CC2)cc1 ZINC000012853077 195155780 /nfs/dbraw/zinc/15/57/80/195155780.db2.gz IFALJDLKMNHHAF-KRWDZBQOSA-N 0 0 496.615 1.129 50 0 JDAARN CCOC(=O)c1ccc(S(=O)(=O)N2CCN(Cn3nnn(C[C@H]4CCCO4)c3=S)CC2)cc1 ZINC000012853083 195155794 /nfs/dbraw/zinc/15/57/94/195155794.db2.gz IFALJDLKMNHHAF-QGZVFWFLSA-N 0 0 496.615 1.129 50 0 JDAARN COC(=O)c1ccc(OC[C@H](O)CN2CCN(S(=O)(=O)c3ccccc3Cl)CC2)cc1 ZINC000012853563 195156065 /nfs/dbraw/zinc/15/60/65/195156065.db2.gz RZLDJGNBVFIEKS-QGZVFWFLSA-N 0 0 468.959 1.873 50 0 JDAARN COc1ccc([C@H](CNC(=O)CN(C)S(=O)(=O)c2ccc(C(C)=O)cc2)N2CCOCC2)cc1 ZINC000012854407 195156499 /nfs/dbraw/zinc/15/64/99/195156499.db2.gz TYYZUVFUTZPMOT-QHCPKHFHSA-N 0 0 489.594 1.708 50 0 JDAARN COc1ccc(CCNC(=O)c2ccc(OCC(=O)N3CCOCC3)c(OC)c2)cc1OC ZINC000012854328 195156574 /nfs/dbraw/zinc/15/65/74/195156574.db2.gz QQEAIGFAHXPORY-UHFFFAOYSA-N 0 0 458.511 1.923 50 0 JDAARN CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](C)OC(=O)[C@H](C)N2C(=O)[C@@H]3CCCC[C@@H]3C2=O)cc1 ZINC000012854397 195156578 /nfs/dbraw/zinc/15/65/78/195156578.db2.gz SKNWZLKBDMUQNJ-STEAMIEHSA-N 0 0 493.582 1.807 50 0 JDAARN CNS(=O)(=O)c1ccc(C(=O)N2CCN(S(=O)(=O)c3c(C)c(C)cc(C)c3C)CC2)cc1 ZINC000012858596 195158439 /nfs/dbraw/zinc/15/84/39/195158439.db2.gz YJDSJAHQUPOTHW-UHFFFAOYSA-N 0 0 479.624 1.975 50 0 JDAARN C[C@@H](OC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O)C(=O)Nc1ncnc2[nH]cnc21 ZINC000012865968 195161436 /nfs/dbraw/zinc/16/14/36/195161436.db2.gz ILIXIHPVFJFLHI-LLVKDONJSA-N 0 0 477.458 1.914 50 0 JDAARN CC(C)c1ccccc1OC[C@H](O)CN1CCN(S(=O)(=O)c2ccc(C(N)=O)cc2)CC1 ZINC000012867106 195161869 /nfs/dbraw/zinc/16/18/69/195161869.db2.gz NFXNXQYSBVHLNL-LJQANCHMSA-N 0 0 461.584 1.655 50 0 JDAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCn3c4ccccc4n(C)c3=O)CC2)c(C)c1 ZINC000012868361 195162457 /nfs/dbraw/zinc/16/24/57/195162457.db2.gz UPUWDNDMWNJZED-UHFFFAOYSA-N 0 0 456.568 1.880 50 0 JDAARN CC[C@@]1(C)NC(=O)N(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)C1=O ZINC000012898986 195176668 /nfs/dbraw/zinc/17/66/68/195176668.db2.gz ODYFBQUWHPQIHR-JOCHJYFZSA-N 0 0 462.572 1.718 50 0 JDAARN CC(C)CN(C(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000012869581 195162864 /nfs/dbraw/zinc/16/28/64/195162864.db2.gz ZQVIGKUOUNEIGJ-MWTRTKDXSA-N 0 0 471.583 1.610 50 0 JDAARN CCOC(=O)C1=C(COC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc32)NC(=O)NC1 ZINC000012869349 195162959 /nfs/dbraw/zinc/16/29/59/195162959.db2.gz HDEKSROVVGRHAX-UHFFFAOYSA-N 0 0 462.462 1.732 50 0 JDAARN O=C(Cn1cnc2cc(F)ccc2c1=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000012872234 195164197 /nfs/dbraw/zinc/16/41/97/195164197.db2.gz FDIMHDKJUHNGOQ-FQEVSTJZSA-N 0 0 452.442 1.046 50 0 JDAARN Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)C2CCN([C@H]3CCS(=O)(=O)C3)CC2)CC1 ZINC000012872881 195164337 /nfs/dbraw/zinc/16/43/37/195164337.db2.gz MHEZINUHTKXBBV-NRFANRHFSA-N 0 0 476.643 1.285 50 0 JDAARN CCCCn1c(N)c(N(CCC(C)C)C(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)c(=O)[nH]c1=O ZINC000012872805 195164483 /nfs/dbraw/zinc/16/44/83/195164483.db2.gz OYZYPBPDZFHCDH-OAHLLOKOSA-N 0 0 469.542 1.983 50 0 JDAARN Cc1cccc(OCCC(=O)OCC(=O)N(C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)c1 ZINC000012880126 195167901 /nfs/dbraw/zinc/16/79/01/195167901.db2.gz YUDCPUZTLVASQU-UHFFFAOYSA-N 0 0 466.494 1.451 50 0 JDAARN CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1Oc1ccc2c(c1)CC[C@H]1[C@@H]3CCC(=O)[C@@]3(C)CC[C@@H]21 ZINC000012881082 195168424 /nfs/dbraw/zinc/16/84/24/195168424.db2.gz GUDKVGOOQSWBLK-BBNZSKQYSA-N 0 0 473.566 1.434 50 0 biogenic JDAARN C[C@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1=O ZINC000012882406 195169112 /nfs/dbraw/zinc/16/91/12/195169112.db2.gz OTGAZNYRXVNAAV-JOCHJYFZSA-N 0 0 490.969 1.640 50 0 JDAARN CCOC(=O)C1=C(COC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)NC(=O)NC1 ZINC000012882335 195169146 /nfs/dbraw/zinc/16/91/46/195169146.db2.gz XRJVRXFGCYCNNQ-UHFFFAOYSA-N 0 0 465.528 1.069 50 0 JDAARN O=C([O-])CC[C@@H]1[NH2+][C@]2(C(=O)Nc3c2cccc3Cl)[C@@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@@H]21 ZINC000012883426 195169635 /nfs/dbraw/zinc/16/96/35/195169635.db2.gz VIKKRIPDMMYURS-GGMMCWFTSA-N 0 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CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1n1nc(COc2ccc(Cl)cc2)n(C2CC2)c1=S ZINC000012898869 195176584 /nfs/dbraw/zinc/17/65/84/195176584.db2.gz SZVBIROHPYNPTI-WSIUPNEHSA-N 0 0 484.962 1.098 50 0 JDAARN Cc1ccc(NC(=O)CN2C(=O)N[C@@H](Cc3ccccc3)C2=O)cc1S(=O)(=O)N1CCOCC1 ZINC000012865692 195161203 /nfs/dbraw/zinc/16/12/03/195161203.db2.gz XJKFTZDOEXPWQK-IBGZPJMESA-N 0 0 486.550 1.118 50 0 JDAARN O=C(CN1C(=O)N[C@@]2(CCCCc3ccccc32)C1=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000012865028 195161278 /nfs/dbraw/zinc/16/12/78/195161278.db2.gz DCIRTALUPNXYOX-RUZDIDTESA-N 0 0 496.589 1.693 50 0 JDAARN COC(=O)c1ccc2c(c1)nc(SCC(=O)NCc1ccccc1)n(CCN1CCOCC1)c2=O ZINC000020643678 195194159 /nfs/dbraw/zinc/19/41/59/195194159.db2.gz FBLKIRQKVHWAPO-UHFFFAOYSA-N 0 0 496.589 1.924 50 0 JDAARN COCCCNC(=O)CSc1nc2cc(C(=O)NCCOC)ccc2c(=O)n1Cc1ccco1 ZINC000020644105 195194319 /nfs/dbraw/zinc/19/43/19/195194319.db2.gz QICJVYCAJDADET-UHFFFAOYSA-N 0 0 488.566 1.659 50 0 JDAARN O=C(c1ccc(N2C(=O)CCC2=O)cc1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000012903537 195178610 /nfs/dbraw/zinc/17/86/10/195178610.db2.gz WTTWAGGKWASHDT-UHFFFAOYSA-N 0 0 485.518 1.258 50 0 JDAARN CC(C)CN(C(=O)COC(=O)c1ccc2c(c1)OCO2)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000012904633 195178783 /nfs/dbraw/zinc/17/87/83/195178783.db2.gz WZRDSWKVEASUSU-UHFFFAOYSA-N 0 0 494.504 1.742 50 0 JDAARN CCOC(=O)c1sc(NC(=O)[C@@H](CCS(C)(=O)=O)N2C(=O)c3ccccc3C2=O)nc1C ZINC000012904260 195178805 /nfs/dbraw/zinc/17/88/05/195178805.db2.gz JUCNEOIGDPUEPN-CQSZACIVSA-N 0 0 479.536 1.666 50 0 JDAARN CCOC(=O)c1sc(NC(=O)[C@H](CCS(C)(=O)=O)N2C(=O)c3ccccc3C2=O)nc1C ZINC000012904267 195178821 /nfs/dbraw/zinc/17/88/21/195178821.db2.gz JUCNEOIGDPUEPN-AWEZNQCLSA-N 0 0 479.536 1.666 50 0 JDAARN O=C(CNS(=O)(=O)c1ccc(N2CCCC2=O)cc1)N1CCN(Cc2ccsc2)CC1 ZINC000012904854 195178962 /nfs/dbraw/zinc/17/89/62/195178962.db2.gz GMWNLVVIPFTNGK-UHFFFAOYSA-N 0 0 462.597 1.498 50 0 JDAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)CCn1ncc(=O)c2ccccc21 ZINC000012905111 195178988 /nfs/dbraw/zinc/17/89/88/195178988.db2.gz IWLFDENMHFNPGS-QGZVFWFLSA-N 0 0 457.556 1.618 50 0 JDAARN CN(C(=O)COC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000012905404 195179289 /nfs/dbraw/zinc/17/92/89/195179289.db2.gz BPZLQHSUJXVIKK-QGZVFWFLSA-N 0 0 472.585 1.054 50 0 JDAARN CN(C)S(=O)(=O)c1cc(C(=O)N2CCN(Cc3cnn(C)c3)CC2)c(Cl)cc1Cl ZINC000020608287 195182003 /nfs/dbraw/zinc/18/20/03/195182003.db2.gz HYMOBOGUQNRVFF-UHFFFAOYSA-N 0 0 460.387 1.935 50 0 JDAARN COc1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)[C@H]([C@H](C)O)N[C@]32C(=O)Nc3c2cc(Cl)cc3C)cc1 ZINC000020610477 195183655 /nfs/dbraw/zinc/18/36/55/195183655.db2.gz HAZDICSIAPABTK-YWTZNMIMSA-N 0 0 469.925 1.958 50 0 biogenic JDAARN COc1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)[C@H](CC(N)=O)N[C@]32c3cc(C)cc(Cl)c3NC2=O)cc1 ZINC000020611499 195185242 /nfs/dbraw/zinc/18/52/42/195185242.db2.gz FKNYZLPNAVUPGM-NARGUJOISA-N 0 0 482.924 1.453 50 0 biogenic JDAARN 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195215582 /nfs/dbraw/zinc/21/55/82/195215582.db2.gz SCZIYFXPJJRCDD-UHFFFAOYSA-N 0 0 484.578 1.805 50 0 JDAARN COc1nc(NCCN2CCOCC2)nc(Nc2ccc(I)cc2)n1 ZINC000020757246 195216291 /nfs/dbraw/zinc/21/62/91/195216291.db2.gz AJFANYLCUHILPU-UHFFFAOYSA-N 0 0 456.288 1.973 50 0 JDAARN C[C@H](NS(=O)(=O)c1ccc2c(c1)c(=O)n(C)c(=O)n2C)C(=O)Nc1ccc(Cl)cc1 ZINC000020760329 195217449 /nfs/dbraw/zinc/21/74/49/195217449.db2.gz WDNMHCIFKBHBQW-NSHDSACASA-N 0 0 450.904 1.196 50 0 JDAARN COc1cc2ncn(CC(=O)NCCC(=O)N3CCc4ccccc4C3)c(=O)c2cc1OC ZINC000020761920 195218151 /nfs/dbraw/zinc/21/81/51/195218151.db2.gz NGYFTFDCDRBPMT-UHFFFAOYSA-N 0 0 450.495 1.505 50 0 biogenic JDAARN CN(CC(=O)NCc1ccc2c(c1)OCO2)S(=O)(=O)c1cc2c(cc1Cl)NC(=O)CO2 ZINC000020762136 195218306 /nfs/dbraw/zinc/21/83/06/195218306.db2.gz FHIWCTAKNXEZNG-UHFFFAOYSA-N 0 0 467.887 1.337 50 0 JDAARN COc1ccc(OC)c(NC(=O)CN(C)S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)c1 ZINC000020761902 195218326 /nfs/dbraw/zinc/21/83/26/195218326.db2.gz FRXKUZXNWNILJD-UHFFFAOYSA-N 0 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C[C@@H](CS(=O)(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2)C(=O)N1CCC2(CC1)OCCO2 ZINC000020940528 195255101 /nfs/dbraw/zinc/25/51/01/195255101.db2.gz KLQATBBHCMTQKN-UONOGXRCSA-N 0 0 454.570 1.895 50 0 JDAARN CCOc1ccc(CNC(=O)CN(C)S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)cc1OC ZINC000020923465 195248615 /nfs/dbraw/zinc/24/86/15/195248615.db2.gz GZFJMPOIKOFVDQ-UHFFFAOYSA-N 0 0 459.524 1.872 50 0 JDAARN CCS(=O)(=O)N1CC(=O)N(c2ccc(OC)cc2)[C@@](C)(C(=O)NCc2ccc(F)cc2)C1 ZINC000020929892 195251077 /nfs/dbraw/zinc/25/10/77/195251077.db2.gz SHDJLWLMSCWEKL-JOCHJYFZSA-N 0 0 463.531 1.908 50 0 JDAARN COC(=O)CN1C(=O)CSc2ccc(S(=O)(=O)NCc3ccc4c(c3)OCO4)cc21 ZINC000020935688 195252598 /nfs/dbraw/zinc/25/25/98/195252598.db2.gz YWBHWMVNRHZGAQ-UHFFFAOYSA-N 0 0 450.494 1.506 50 0 JDAARN O=c1ccc(-c2ccc(S(=O)(=O)NCCCN3CCN(c4ccccc4)CC3)s2)n[nH]1 ZINC000020984973 195260371 /nfs/dbraw/zinc/26/03/71/195260371.db2.gz RWCXYKARAOSUSO-UHFFFAOYSA-N 0 0 459.597 1.989 50 0 JDAARN O=c1ccc(-c2ccc(S(=O)(=O)N(CCN3CCOCC3)Cc3ccco3)s2)n[nH]1 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COc1ccc(N2C(=O)CN(S(C)(=O)=O)C[C@@]2(C)C(=O)NCc2ccc(C)cc2)c(OC)c1 ZINC000021529053 195307818 /nfs/dbraw/zinc/30/78/18/195307818.db2.gz CSIWVICQMUZFGY-QHCPKHFHSA-N 0 0 475.567 1.696 50 0 JDAARN COc1ccc(OC)c(CN2C(=O)CN(S(C)(=O)=O)C[C@@]2(C)C(=O)NCc2ccc(C)cc2)c1 ZINC000021529182 195307905 /nfs/dbraw/zinc/30/79/05/195307905.db2.gz XAXZDZULDGMBLC-DEOSSOPVSA-N 0 0 489.594 1.691 50 0 JDAARN C[C@@]1(C(=O)NCc2ccc(Cl)cc2)CN(S(C)(=O)=O)CC(=O)N1CCc1ccco1 ZINC000021529332 195308318 /nfs/dbraw/zinc/30/83/18/195308318.db2.gz WQHVWTATXCXVKY-FQEVSTJZSA-N 0 0 453.948 1.654 50 0 JDAARN CN1C(=O)c2cc(C(=O)NCCCN3CCCC3=O)nn2C[C@]1(C)C(=O)NC1CCCCCC1 ZINC000021530857 195309218 /nfs/dbraw/zinc/30/92/18/195309218.db2.gz PZEOPWRIUOYXNI-XMMPIXPASA-N 0 0 472.590 1.309 50 0 JDAARN C[C@H]1Oc2ccccc2N(CC(=O)N2CCN(c3ccc(=O)n(-c4ccccc4)n3)CC2)C1=O ZINC000021887365 195325250 /nfs/dbraw/zinc/32/52/50/195325250.db2.gz OQZZIPUWYYABST-GOSISDBHSA-N 0 0 459.506 1.695 50 0 JDAARN CC1=C(C(=O)N2CCN(c3ccc(F)cc3)CC2)C2(CCN(S(C)(=O)=O)CC2)OC1=O ZINC000021887525 195325288 /nfs/dbraw/zinc/32/52/88/195325288.db2.gz LQIKBMZYVTZHMY-UHFFFAOYSA-N 0 0 451.520 1.142 50 0 biogenic JDAARN CCC(=O)N1c2ccc(S(=O)(=O)N3CCCCC3)cc2C[C@H]1C(=O)NCCCN1CCOCC1 ZINC000021926083 195334450 /nfs/dbraw/zinc/33/44/50/195334450.db2.gz HYXYCVHHZIRZTK-QFIPXVFZSA-N 0 0 492.642 1.367 50 0 JDAARN O=C([C@@H]1CCCN1c1nnc(N2CCCC2=O)s1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000021927072 195334658 /nfs/dbraw/zinc/33/46/58/195334658.db2.gz KPUZPGUDRIQLKM-KRWDZBQOSA-N 0 0 484.582 1.707 50 0 JDAARN COc1cccc(N2CCN(C(=O)[C@H]3CCCN3c3nnc(N4CCCC4=O)s3)CC2)c1 ZINC000021927010 195334696 /nfs/dbraw/zinc/33/46/96/195334696.db2.gz TXHXIJVRWTWCDF-GOSISDBHSA-N 0 0 456.572 1.991 50 0 JDAARN Cc1nn(C)c(C)c1CNC(=O)CN1c2cc(S(=O)(=O)N(C)C)ccc2N2CCCC[C@H]2C1=O ZINC000021941904 195339322 /nfs/dbraw/zinc/33/93/22/195339322.db2.gz HJBWSXPRAGMOGQ-FQEVSTJZSA-N 0 0 488.614 1.309 50 0 JDAARN 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C[C@@H](Sc1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1-c1ccc(F)cc1)C(=O)NC(N)=O ZINC000002618045 554242575 /nfs/dbraw/zinc/24/25/75/554242575.db2.gz ALINGPGPTVXDGX-GFCCVEGCSA-N 0 0 492.558 1.999 50 0 JDAARN O=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)Nc1ccccc1N1CCOCC1 ZINC000002622284 554246628 /nfs/dbraw/zinc/24/66/28/554246628.db2.gz ZSBMIEVPHXWTPU-UHFFFAOYSA-N 0 0 451.570 1.787 50 0 JDAARN CCN(C(=O)CSc1nc2ccccc2c(=O)n1[C@H](C)COC)[C@@H]1CCS(=O)(=O)C1 ZINC000002623576 554247679 /nfs/dbraw/zinc/24/76/79/554247679.db2.gz IJNHFOBTQRURBK-HUUCEWRRSA-N 0 0 453.586 1.732 50 0 JDAARN COC(=O)c1sc(N)c(C(=O)OC)c1COC(=O)CNS(=O)(=O)c1ccc(C)cc1 ZINC000002631881 554253435 /nfs/dbraw/zinc/25/34/35/554253435.db2.gz FCVKMYQZTAEWSW-UHFFFAOYSA-N 0 0 456.498 1.234 50 0 JDAARN Cc1csc(NC(=O)[C@@H](NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C(C)C)n1 ZINC000002632374 554253954 /nfs/dbraw/zinc/25/39/54/554253954.db2.gz BNBLKXOAOCKOKQ-KRWDZBQOSA-N 0 0 466.585 1.866 50 0 JDAARN C[C@H](NS(=O)(=O)c1cccc2nsnc21)C(=O)OCC(=O)Nc1ccc2c(c1)OCCO2 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/nfs/dbraw/zinc/67/37/81/554673781.db2.gz HXCYFGSLBWOFFF-UHFFFAOYSA-N 0 0 472.549 1.753 50 0 JDAARN COc1ccc(C(=O)N2CCN(c3nc4c(c(=O)n(C)c(=O)n4C)n3Cc3ccccc3)CC2)cc1 ZINC000008775404 554673842 /nfs/dbraw/zinc/67/38/42/554673842.db2.gz JKGNSBDLWSMKPG-UHFFFAOYSA-N 0 0 488.548 1.453 50 0 JDAARN CC(C)NC(=O)CSc1ccccc1C(=O)OCC(=O)N(C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000008778002 554675041 /nfs/dbraw/zinc/67/50/41/554675041.db2.gz ZBJOCQTXODAEAQ-MRXNPFEDSA-N 0 0 468.597 1.638 50 0 JDAARN CN(CC(=O)N1CCN(CC(=O)Nc2cccc(F)c2)CC1)Cc1ccccc1N1CCOCC1 ZINC000008780058 554677282 /nfs/dbraw/zinc/67/72/82/554677282.db2.gz VCFZVPIBBKOOSZ-UHFFFAOYSA-N 0 0 483.588 1.877 50 0 JDAARN CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1Oc1ccc2c(c1)CC[C@H]1[C@H]3CCC(=O)[C@@]3(C)CC[C@@H]21 ZINC000008789973 554683055 /nfs/dbraw/zinc/68/30/55/554683055.db2.gz GUDKVGOOQSWBLK-IZWLFHCUSA-N 0 0 473.566 1.434 50 0 biogenic JDAARN Cc1cc2c(c(C)c1)NC(=O)[C@]21[NH2+][C@H](CCC(=O)[O-])[C@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]21 ZINC000008790599 554683973 /nfs/dbraw/zinc/68/39/73/554683973.db2.gz LERNXAHDJSRORW-WYMULPSZSA-N 0 0 491.500 1.818 50 0 biogenic JDAARN CCc1ccc2c(c1)[C@@]1([NH2+][C@H](CCC(=O)[O-])[C@H]3C(=O)N(Cc4ccc5c(c4)OCO5)C(=O)[C@H]31)C(=O)N2 ZINC000008791189 554684456 /nfs/dbraw/zinc/68/44/56/554684456.db2.gz JQESAXREDTUXNX-WGXFTBGVSA-N 0 0 491.500 1.763 50 0 biogenic JDAARN O=C(CN1C(=O)CSc2ccc(S(=O)(=O)N3CCCC3)cc21)NCCCN1CCCC1=O ZINC000008813019 554695075 /nfs/dbraw/zinc/69/50/75/554695075.db2.gz XGVBLLSVUQEKAW-UHFFFAOYSA-N 0 0 480.612 1.039 50 0 JDAARN CCOC(=O)c1ccc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(NC(C)=O)cc2)o1 ZINC000008815626 554697042 /nfs/dbraw/zinc/69/70/42/554697042.db2.gz OHELZENLMXZRIQ-SFHVURJKSA-N 0 0 463.512 1.884 50 0 JDAARN COc1ccc(CNC(=O)COC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1OC ZINC000008824923 554712580 /nfs/dbraw/zinc/71/25/80/554712580.db2.gz UXFZIYARPGZWML-UHFFFAOYSA-N 0 0 478.523 1.198 50 0 JDAARN CCn1c(COC(=O)Cn2[nH]c(=O)c3ccccc3c2=O)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000008825566 554714052 /nfs/dbraw/zinc/71/40/52/554714052.db2.gz ZVRWTGYKGYUBRB-UHFFFAOYSA-N 0 0 485.522 1.053 50 0 JDAARN CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)C(=O)OCC(=O)Nc2cc(F)ccc2C)cc1 ZINC000008825707 554714308 /nfs/dbraw/zinc/71/43/08/554714308.db2.gz JUQSMURXXMCXAD-CYBMUJFWSA-N 0 0 451.476 1.941 50 0 JDAARN C[C@H](OC(=O)c1cccc(S(=O)(=O)N(C)C)c1)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F ZINC000008825921 554714741 /nfs/dbraw/zinc/71/47/41/554714741.db2.gz NKJUJVIJESNYNM-NSHDSACASA-N 0 0 487.456 1.654 50 0 JDAARN Cc1cc(Cl)ccc1OCC(=O)NCCOc1nc(N2CCOCC2)nc(N2CCOCC2)n1 ZINC000008828839 554719244 /nfs/dbraw/zinc/71/92/44/554719244.db2.gz WYNRIDVQASCWQW-UHFFFAOYSA-N 0 0 492.964 1.081 50 0 JDAARN CCNC(=O)NC(=O)[C@H](C)OC(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1OC ZINC000008829681 554719893 /nfs/dbraw/zinc/71/98/93/554719893.db2.gz JEMMGGSTUSIJIC-AWEZNQCLSA-N 0 0 455.533 1.651 50 0 JDAARN CC(=O)N[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]1Oc1ccc(Cl)cc1 ZINC000008834015 554731726 /nfs/dbraw/zinc/73/17/26/554731726.db2.gz WYEQTOCFACZKOK-LASHMREHSA-N 0 0 457.863 1.375 50 0 biogenic JDAARN CN(Cc1ccccc1Br)C(=O)Cn1c(Cl)nc2c1c(=O)n(C)c(=O)n2C ZINC000008848948 554746627 /nfs/dbraw/zinc/74/66/27/554746627.db2.gz RPXARUOZAVXSGK-UHFFFAOYSA-N 0 0 454.712 1.508 50 0 JDAARN C[C@H](OC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000008849832 554747144 /nfs/dbraw/zinc/74/71/44/554747144.db2.gz HTCWMEFBPSZEAD-AWEZNQCLSA-N 0 0 477.514 1.896 50 0 JDAARN Cc1cc(C)c(S(=O)(=O)N2CCO[C@@H]2CNC(=O)C(=O)NCCc2c[nH]c3ccccc23)c(C)c1 ZINC000008855212 554750779 /nfs/dbraw/zinc/75/07/79/554750779.db2.gz QYYFBIMEISFVDH-JOCHJYFZSA-N 0 0 498.605 1.915 50 0 JDAARN CN1CCN(S(=O)(=O)c2cccc(C(=O)NCC3(N4CCOCC4)CCCCC3)c2)CC1 ZINC000008855530 554751200 /nfs/dbraw/zinc/75/12/00/554751200.db2.gz DGFKHUUKWBDCOW-UHFFFAOYSA-N 0 0 464.632 1.388 50 0 JDAARN CC(=O)c1ccc(N2CCN(C(=O)CNS(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)c(F)c1 ZINC000008860858 554757340 /nfs/dbraw/zinc/75/73/40/554757340.db2.gz JTZNUCOXSJEESE-UHFFFAOYSA-N 0 0 491.541 1.817 50 0 JDAARN O=C(CN1C(=O)NC(Cc2ccccc2)(Cc2ccccc2)C1=O)N[C@H]1CCS(=O)(=O)C1 ZINC000008861063 554757772 /nfs/dbraw/zinc/75/77/72/554757772.db2.gz OZPHZYKGSXTWGX-IBGZPJMESA-N 0 0 455.536 1.066 50 0 JDAARN O=C(C1=CN2CCS(=O)(=O)N=C2C=C1)N1C[C@@H](C(=O)N2CCCCC2)Oc2ccccc21 ZINC000008862229 554759914 /nfs/dbraw/zinc/75/99/14/554759914.db2.gz FMEZBCUYVRIDCN-IBGZPJMESA-N 0 0 456.524 1.291 50 0 JDAARN CS(=O)(=O)N1CCc2cc(C(=O)CN3C(=O)N[C@H](Cc4c[nH]c5ccccc45)C3=O)ccc21 ZINC000008862455 554760618 /nfs/dbraw/zinc/76/06/18/554760618.db2.gz FSZQGMGVCGRYJF-LJQANCHMSA-N 0 0 466.519 1.836 50 0 JDAARN CCS(=O)(=O)c1ncc(Cl)c(C(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)n1 ZINC000008868646 554762393 /nfs/dbraw/zinc/76/23/93/554762393.db2.gz DKKXAIRZSCVHQQ-LLVKDONJSA-N 0 0 463.990 1.815 50 0 JDAARN C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)N(C)Cc1ccc2c(c1)OCO2 ZINC000008879789 554775417 /nfs/dbraw/zinc/77/54/17/554775417.db2.gz YCZKNRKZZKORSF-INIZCTEOSA-N 0 0 461.540 1.895 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C[C@@]1(c2ccc3c(c2)OCO3)NC(=O)N(CN2CCN(S(=O)(=O)C=Cc3ccccc3)CC2)C1=O ZINC000014166685 555719396 /nfs/dbraw/zinc/71/93/96/555719396.db2.gz WXSUZPXYYGZZBV-WXQAMHPUSA-N 0 0 498.561 1.758 50 0 JDAARN CCN(CC)C(=O)CN1CCN(C(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)CC1 ZINC000014167387 555719685 /nfs/dbraw/zinc/71/96/85/555719685.db2.gz HXCAGYIANYUFDI-UHFFFAOYSA-N 0 0 456.634 1.161 50 0 JDAARN O=C(C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000014168200 555720573 /nfs/dbraw/zinc/72/05/73/555720573.db2.gz CVBAQHIGHDNCOO-UHFFFAOYSA-N 0 0 496.589 1.921 50 0 JDAARN CCCCn1c2nc(COC(=O)c3sccc3S(=O)(=O)NC3CC3)n(CC)c2c(=O)[nH]c1=O ZINC000010487055 555720564 /nfs/dbraw/zinc/72/05/64/555720564.db2.gz QZKYZPBTPFSBOE-UHFFFAOYSA-N 0 0 495.583 1.566 50 0 JDAARN NC(=O)c1c2c(sc1NC(=O)CSc1nnc(C[C@H]3CCS(=O)(=O)C3)o1)CCC2 ZINC000014169146 555721223 /nfs/dbraw/zinc/72/12/23/555721223.db2.gz GTGILJHRNRYTGC-SECBINFHSA-N 0 0 456.571 1.427 50 0 JDAARN Cc1ccc(CN(C)CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)o1 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ZINC000022016968 555861966 /nfs/dbraw/zinc/86/19/66/555861966.db2.gz KHHZVAHJMQROFJ-UHFFFAOYSA-N 0 0 479.946 1.731 50 0 JDAARN Cn1c(CN(c2ccccc2)S(C)(=O)=O)nnc1SCC(=O)NCc1ccc2c(c1)OCO2 ZINC000015019782 555862747 /nfs/dbraw/zinc/86/27/47/555862747.db2.gz QVKPBXKDUSMLHL-UHFFFAOYSA-N 0 0 489.579 1.919 50 0 JDAARN O=C(/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCN(CCOc2ccccc2)CC1 ZINC000022025342 555864118 /nfs/dbraw/zinc/86/41/18/555864118.db2.gz CTVFRPQPQFKUMA-DHZHZOJOSA-N 0 0 485.606 1.944 50 0 JDAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CN(C)CN1C(=O)NC2(CCCCCC2)C1=O ZINC000022025285 555864200 /nfs/dbraw/zinc/86/42/00/555864200.db2.gz RDBLHCHXECPELY-QGZVFWFLSA-N 0 0 451.593 1.894 50 0 JDAARN CCN(C(=O)COC(=O)CSc1ccc(F)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000022027808 555864232 /nfs/dbraw/zinc/86/42/32/555864232.db2.gz DRFJGUWVNYMPLR-UHFFFAOYSA-N 0 0 486.525 1.995 50 0 JDAARN O=C(c1ccc(CN2CCOCC2)cc1)N1CCN(C(=O)c2ccc(CN3CCOCC3)cc2)CC1 ZINC000022064072 555868580 /nfs/dbraw/zinc/86/85/80/555868580.db2.gz JBEDDZUBJSDODH-UHFFFAOYSA-N 0 0 492.620 1.949 50 0 JDAARN O=C(CSc1nnc(-c2ccco2)o1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000022067295 555869214 /nfs/dbraw/zinc/86/92/14/555869214.db2.gz UBIJXBSCXYGQRZ-UHFFFAOYSA-N 0 0 492.535 1.726 50 0 JDAARN COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCc2cn3ccc(C)cc3n2)c(OC)c1 ZINC000011932706 555869591 /nfs/dbraw/zinc/86/95/91/555869591.db2.gz BAEYCPABQTWUOX-FQEVSTJZSA-N 0 0 451.527 1.667 50 0 JDAARN CC(=O)c1ccc(N2CCN(C(=O)CSc3nnc(SCC(N)=O)s3)CC2)c(F)c1 ZINC000022068566 555869606 /nfs/dbraw/zinc/86/96/06/555869606.db2.gz MDLADFDEYGXIHZ-UHFFFAOYSA-N 0 0 469.589 1.898 50 0 JDAARN COc1cc(=O)n2c(c1C(=O)NCc1nonc1C)CCN(C(=O)CSc1ccccc1)CC2 ZINC000011966684 555872114 /nfs/dbraw/zinc/87/21/14/555872114.db2.gz CEBYZLLENZANEG-UHFFFAOYSA-N 0 0 483.550 1.655 50 0 JDAARN CC(C)CN(C(=O)CSc1nnc(COc2ccccc2F)n1N)[C@H]1CCS(=O)(=O)C1 ZINC000022085288 555872538 /nfs/dbraw/zinc/87/25/38/555872538.db2.gz UHMSSHXKKUBILS-AWEZNQCLSA-N 0 0 471.580 1.474 50 0 JDAARN CC(C)CN(C(=O)CSc1nnc(COc2ccccc2F)n1N)[C@@H]1CCS(=O)(=O)C1 ZINC000022085284 555872541 /nfs/dbraw/zinc/87/25/41/555872541.db2.gz UHMSSHXKKUBILS-CQSZACIVSA-N 0 0 471.580 1.474 50 0 JDAARN COc1ccc(-c2noc(C(=O)NCCNC(=O)Cn3nc(C)c(Br)c3C)n2)cc1 ZINC000015082215 555873293 /nfs/dbraw/zinc/87/32/93/555873293.db2.gz ZPLVGJFVOVPRKS-UHFFFAOYSA-N 0 0 477.319 1.867 50 0 JDAARN O=C(COc1ccc(Cl)cc1)NCCNC(=O)c1nc(Cn2cc(Br)cn2)no1 ZINC000015083255 555873882 /nfs/dbraw/zinc/87/38/82/555873882.db2.gz CQPZLXMRYBWMJL-UHFFFAOYSA-N 0 0 483.710 1.655 50 0 JDAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CN(C)CN1C(=O)NC2(CCC(C)CC2)C1=O ZINC000022096209 555873874 /nfs/dbraw/zinc/87/38/74/555873874.db2.gz GXLXHBZPWMURTB-CXJKMVGQSA-N 0 0 451.593 1.750 50 0 JDAARN COC(=O)[C@@H]1CCCN1C(=O)c1c(OC)cc(=O)n2c1CCN(C(=O)c1cccc(C)c1)CC2 ZINC000011973723 555874990 /nfs/dbraw/zinc/87/49/90/555874990.db2.gz IIPHEDNPGSQREI-IBGZPJMESA-N 0 0 467.522 1.641 50 0 JDAARN COc1cc(=O)n2c(c1C(=O)N(C)[C@@H](C)c1ccco1)CCN(C(=O)C1=C(C)OCCO1)CC2 ZINC000011973626 555875009 /nfs/dbraw/zinc/87/50/09/555875009.db2.gz RCVPLLVMIHLBEK-HNNXBMFYSA-N 0 0 471.510 1.946 50 0 JDAARN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)Cc1csc(N2CCCC2=O)n1 ZINC000015092126 555876086 /nfs/dbraw/zinc/87/60/86/555876086.db2.gz DDGVAOUCBOBISI-UHFFFAOYSA-N 0 0 464.569 1.780 50 0 JDAARN COCCN(C(=O)CCN1C(=O)c2ccc(Br)cc2C1=O)[C@H]1CCS(=O)(=O)C1 ZINC000011990890 555877849 /nfs/dbraw/zinc/87/78/49/555877849.db2.gz YXEBFXDPQZBHGF-ZDUSSCGKSA-N 0 0 473.345 1.097 50 0 JDAARN CN(C)S(=O)(=O)c1ccc(NC(=O)COC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)cc1 ZINC000015126560 555878801 /nfs/dbraw/zinc/87/88/01/555878801.db2.gz CLJJNHHHIKSBEL-UHFFFAOYSA-N 0 0 476.479 1.729 50 0 JDAARN CN(C)[C@@H](CNS(=O)(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1)c1ccc(Cl)cc1 ZINC000011997606 555879396 /nfs/dbraw/zinc/87/93/96/555879396.db2.gz MRUAFNAGSBCBAO-SFHVURJKSA-N 0 0 471.988 1.988 50 0 JDAARN CC[C@H](C)N(C(=O)CSc1nnc(COc2ccccc2F)n1N)[C@H]1CCS(=O)(=O)C1 ZINC000022122660 555879375 /nfs/dbraw/zinc/87/93/75/555879375.db2.gz JJIGVPFUISSPBI-KBPBESRZSA-N 0 0 471.580 1.616 50 0 JDAARN COc1ccc([C@H](CNS(=O)(=O)c2cc(N3C(=O)CCS3(=O)=O)ccc2C)N(C)C)cc1 ZINC000011997789 555879789 /nfs/dbraw/zinc/87/97/89/555879789.db2.gz YPKRZRWATMXXPP-IBGZPJMESA-N 0 0 481.596 1.651 50 0 JDAARN COc1ccc(OC)c(CCNS(=O)(=O)c2cc(N3C(=O)CCS3(=O)=O)ccc2OC)c1 ZINC000011997847 555879981 /nfs/dbraw/zinc/87/99/81/555879981.db2.gz SIZXNPKCJHVYLM-UHFFFAOYSA-N 0 0 484.552 1.300 50 0 JDAARN COc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000011997901 555879986 /nfs/dbraw/zinc/87/99/86/555879986.db2.gz SZWYWWIXSAIBTA-KRWDZBQOSA-N 0 0 467.569 1.343 50 0 JDAARN Cc1ccc([C@H](CNS(=O)(=O)c2cc(N3C(=O)CCS3(=O)=O)ccc2C)N(C)C)cc1 ZINC000011997811 555880006 /nfs/dbraw/zinc/88/00/06/555880006.db2.gz GSTQBQGBIOOVLW-IBGZPJMESA-N 0 0 465.597 1.951 50 0 JDAARN Cc1cc(N2C(=O)[C@H](C)CS2(=O)=O)ccc1S(=O)(=O)NC[C@@H](c1ccco1)N(C)C ZINC000011998023 555880423 /nfs/dbraw/zinc/88/04/23/555880423.db2.gz DGCJUJRPQAKTSX-ZBFHGGJFSA-N 0 0 455.558 1.482 50 0 JDAARN CN(C)C(=O)COc1ccccc1C(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1 ZINC000022135041 555880522 /nfs/dbraw/zinc/88/05/22/555880522.db2.gz MHNMWKJPAPOXEV-UHFFFAOYSA-N 0 0 461.540 1.105 50 0 JDAARN COc1cc(=O)n2c(c1C(=O)NCCC(C)C)CCN(C(=O)Cn1nc3ccccc3n1)CC2 ZINC000012003443 555882758 /nfs/dbraw/zinc/88/27/58/555882758.db2.gz OWADAVAFIUWOMR-UHFFFAOYSA-N 0 0 466.542 1.462 50 0 JDAARN Nc1c(C(=O)CSc2nc(CN3CCOCC3)nc3ccccc32)c(=O)[nH]c(=O)n1C1CC1 ZINC000022188671 555883125 /nfs/dbraw/zinc/88/31/25/555883125.db2.gz OCKIFZCIGLFFSE-UHFFFAOYSA-N 0 0 468.539 1.204 50 0 JDAARN Cc1cc(N2CCCCS2(=O)=O)cc(C)c1S(=O)(=O)N1CCN(c2ncccn2)CC1 ZINC000012004433 555883389 /nfs/dbraw/zinc/88/33/89/555883389.db2.gz NHWJSULBZGGHDT-UHFFFAOYSA-N 0 0 465.601 1.534 50 0 JDAARN CCOC(=O)N1CCN(S(=O)(=O)c2c(C)cc(N3CCCCS3(=O)=O)cc2C)CC1 ZINC000012004423 555883512 /nfs/dbraw/zinc/88/35/12/555883512.db2.gz OSAVLQVIYDJTDJ-UHFFFAOYSA-N 0 0 459.590 1.696 50 0 JDAARN COCCn1c(N)c(N(Cc2ccccc2)C(=O)c2nc(C)n(-c3ccc(F)cc3)n2)c(=O)[nH]c1=O ZINC000015192188 555883552 /nfs/dbraw/zinc/88/35/52/555883552.db2.gz KRXWUZZQKSUEMC-UHFFFAOYSA-N 0 0 493.499 1.640 50 0 JDAARN CN(C)C(=O)[C@@H]1CN(C(=O)C2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)c2ccccc2O1 ZINC000015201827 555884063 /nfs/dbraw/zinc/88/40/63/555884063.db2.gz HKDLNASHCIEWDG-FQEVSTJZSA-N 0 0 482.562 1.730 50 0 JDAARN COc1ccc(OCCNS(=O)(=O)c2cc(N3CCCCS3(=O)=O)ccc2OC)cc1 ZINC000012016149 555884594 /nfs/dbraw/zinc/88/45/94/555884594.db2.gz XPBNGGGEXUUQAJ-UHFFFAOYSA-N 0 0 470.569 1.991 50 0 JDAARN COC(=O)c1cccc(NC(=O)c2cc(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)ccc2F)c1 ZINC000012031440 555887105 /nfs/dbraw/zinc/88/71/05/555887105.db2.gz NKVOXJIOXQPCAP-HNNXBMFYSA-N 0 0 455.485 1.825 50 0 JDAARN CC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc(C)c(S(=O)(=O)N4CCOCC4)c3)ccc21 ZINC000015246039 555890619 /nfs/dbraw/zinc/89/06/19/555890619.db2.gz MAGPOPWBRVIGED-UHFFFAOYSA-N 0 0 479.580 1.726 50 0 JDAARN CC(C)CNC(=O)COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1 ZINC000015279853 555893460 /nfs/dbraw/zinc/89/34/60/555893460.db2.gz OJBIVNJMFFQBCM-UHFFFAOYSA-N 0 0 467.588 1.627 50 0 JDAARN COC(=O)c1cc(OC)c(OC)cc1NCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1OC ZINC000015321652 555898440 /nfs/dbraw/zinc/89/84/40/555898440.db2.gz IMLDTLAADAGHEZ-UHFFFAOYSA-N 0 0 481.527 1.800 50 0 JDAARN COc1ccc(C(=O)N2CCN(C(=O)C[C@]3(c4cccc(OC)c4)CC(=O)N(C)C3=O)CC2)cc1 ZINC000012056941 555899115 /nfs/dbraw/zinc/89/91/15/555899115.db2.gz OWKDMJOPXUNXLK-SANMLTNESA-N 0 0 479.533 1.705 50 0 JDAARN CC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)CN3C(=O)NC4(CCCC4)C3=O)CC2)cc1 ZINC000015378668 555901603 /nfs/dbraw/zinc/90/16/03/555901603.db2.gz YMHZCLLWIIXFLS-UHFFFAOYSA-N 0 0 462.572 1.508 50 0 JDAARN Cc1cc(C)c(S(=O)(=O)N2CCO[C@H]2CNC(=O)C(=O)NCCc2ccccc2)c(C)c1 ZINC000012080657 555903510 /nfs/dbraw/zinc/90/35/10/555903510.db2.gz ZZSODZZMYZUMLQ-FQEVSTJZSA-N 0 0 459.568 1.434 50 0 JDAARN COc1ccccc1CCNC(=O)C(=O)NC[C@@H]1OCCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000012080698 555903838 /nfs/dbraw/zinc/90/38/38/555903838.db2.gz CGBKGLPIYJIXDN-IBGZPJMESA-N 0 0 481.958 1.171 50 0 JDAARN Cc1ccc(S(=O)(=O)N2CCO[C@H]2CNC(=O)C(=O)NCCc2c[nH]c3ccccc23)cc1 ZINC000012080789 555904042 /nfs/dbraw/zinc/90/40/42/555904042.db2.gz BAIUNEXPCMWZAU-NRFANRHFSA-N 0 0 470.551 1.298 50 0 JDAARN O=C(NCCc1ccccc1)C(=O)NC[C@H]1OCCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000012080752 555904050 /nfs/dbraw/zinc/90/40/50/555904050.db2.gz OSENDEZVLDDKQK-GOSISDBHSA-N 0 0 451.932 1.162 50 0 JDAARN O=C(NCc1ccccc1Cl)C(=O)NC[C@H]1OCCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000012080758 555904079 /nfs/dbraw/zinc/90/40/79/555904079.db2.gz IQXDLFIKOUGEMF-QGZVFWFLSA-N 0 0 472.350 1.773 50 0 JDAARN Cc1ccc(S(=O)(=O)N2CCO[C@@H]2CNC(=O)C(=O)NCc2ccccc2Cl)cc1 ZINC000012080796 555904145 /nfs/dbraw/zinc/90/41/45/555904145.db2.gz WAOOMEIQOZUHNQ-GOSISDBHSA-N 0 0 451.932 1.428 50 0 JDAARN CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN1CCN(c2ncccn2)CC1 ZINC000015403360 555904190 /nfs/dbraw/zinc/90/41/90/555904190.db2.gz OYIWMELREPXCKK-UHFFFAOYSA-N 0 0 488.614 1.811 50 0 JDAARN O=C(NCCc1c[nH]c2ccccc12)C(=O)NC[C@H]1OCCN1C(=O)c1ccc2c(c1)OCO2 ZINC000012080743 555904177 /nfs/dbraw/zinc/90/41/77/555904177.db2.gz MTJUGKVYKKZEAI-OAQYLSRUSA-N 0 0 464.478 1.170 50 0 JDAARN COc1ccc(-n2c3nc(-c4cc(OC)c(OC)c(OC)c4)nc(C(N)=O)c3[nH]c2=O)cc1 ZINC000012080843 555904443 /nfs/dbraw/zinc/90/44/43/555904443.db2.gz UAYIVYKAZCUEKX-UHFFFAOYSA-N 0 0 451.439 1.909 50 0 JDAARN CCOC(=O)C1=C(CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)NC(=O)N[C@H]1c1ccco1 ZINC000015409706 555904478 /nfs/dbraw/zinc/90/44/78/555904478.db2.gz ICMKNIYTGVYSRL-NRFANRHFSA-N 0 0 488.566 1.766 50 0 JDAARN COc1c2c(cc3c1[C@H](c1nnnn1-c1ccc(C(=O)NCCCO)cc1)N(C)CC3)OCO2 ZINC000015414757 555906202 /nfs/dbraw/zinc/90/62/02/555906202.db2.gz LYHCKPLDIOWJFL-LJQANCHMSA-N 0 0 466.498 1.089 50 0 biogenic JDAARN COc1c2c(cc3c1[C@@H](c1nnnn1-c1ccc(C(=O)N(C)CCO)cc1)N(C)CC3)OCO2 ZINC000015414966 555906859 /nfs/dbraw/zinc/90/68/59/555906859.db2.gz LSSSOTDRWOQTDB-IBGZPJMESA-N 0 0 466.498 1.041 50 0 biogenic JDAARN COc1c2c(cc3c1[C@@H](c1nnnn1-c1ccccc1C(=O)NC[C@@H](C)O)N(C)CC3)OCO2 ZINC000015415013 555906867 /nfs/dbraw/zinc/90/68/67/555906867.db2.gz BWYRQNIBRXKOLL-YJYMSZOUSA-N 0 0 466.498 1.088 50 0 biogenic JDAARN COc1c2c(cc3c1[C@H](c1nnnn1-c1ccccc1C(=O)NC[C@@H](C)O)N(C)CC3)OCO2 ZINC000015415010 555906897 /nfs/dbraw/zinc/90/68/97/555906897.db2.gz BWYRQNIBRXKOLL-BFUOFWGJSA-N 0 0 466.498 1.088 50 0 biogenic JDAARN COc1c2c(cc3c1[C@H](c1nnnn1-c1cccc(C(=O)N(C)CCO)c1)N(C)CC3)OCO2 ZINC000015415473 555907244 /nfs/dbraw/zinc/90/72/44/555907244.db2.gz KFMYJBXXZZNQML-LJQANCHMSA-N 0 0 466.498 1.041 50 0 biogenic JDAARN COc1c2c(cc3c1[C@@H](c1nnnn1-c1cccc(C(=O)N(C)CCO)c1)N(C)CC3)OCO2 ZINC000015415476 555907269 /nfs/dbraw/zinc/90/72/69/555907269.db2.gz KFMYJBXXZZNQML-IBGZPJMESA-N 0 0 466.498 1.041 50 0 biogenic JDAARN COCCN1C(=O)C[C@](CC(=O)N2CCN(c3ccccn3)CC2)(c2ccccc2C)C1=O ZINC000012100386 555907840 /nfs/dbraw/zinc/90/78/40/555907840.db2.gz AFFCXBIYIMQOJV-RUZDIDTESA-N 0 0 450.539 1.772 50 0 JDAARN CN(CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000015447962 555909931 /nfs/dbraw/zinc/90/99/31/555909931.db2.gz SJNWQKXYRTZYPV-UHFFFAOYSA-N 0 0 469.567 1.029 50 0 JDAARN CC[C@H](C)C(=O)C(=O)N1CCc2c(C(=O)OC)c(OCCCc3cnn(C)c3)cc(=O)n2CC1 ZINC000012129608 555911300 /nfs/dbraw/zinc/91/13/00/555911300.db2.gz OANCAXRVIKMTSF-INIZCTEOSA-N 0 0 472.542 1.380 50 0 JDAARN O=C(NN1C(=O)NC2(CCCCC2)C1=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000015497397 555911458 /nfs/dbraw/zinc/91/14/58/555911458.db2.gz YNKOXSVAMDPZIY-CQSZACIVSA-N 0 0 452.508 1.512 50 0 JDAARN COc1ccc(S(=O)(=O)N2CCN([C@@H](C)C(=O)N3CC(=O)Nc4ccccc43)CC2)cc1OC ZINC000015520411 555912658 /nfs/dbraw/zinc/91/26/58/555912658.db2.gz OMGTYBIEHBYZDU-INIZCTEOSA-N 0 0 488.566 1.384 50 0 JDAARN CC(C)(C)NC(=O)CN1CCN(C(=O)CSc2nnnn2-c2cccc(Cl)c2)CC1 ZINC000015519149 555912672 /nfs/dbraw/zinc/91/26/72/555912672.db2.gz GVZLFTAYKTTXDK-UHFFFAOYSA-N 0 0 451.984 1.467 50 0 JDAARN C[C@@]1(c2ccc3c(c2)OCO3)NC(=O)N(CC(=O)Nc2cccc(C(=O)NC3CC3)c2)C1=O ZINC000015517414 555912781 /nfs/dbraw/zinc/91/27/81/555912781.db2.gz GPQCWFHIVHHYSX-QHCPKHFHSA-N 0 0 450.451 1.713 50 0 JDAARN CCN(CC)S(=O)(=O)N1CCN(Cc2nc3cc(S(=O)(=O)N(C)C)ccc3n2CC)CC1 ZINC000022275954 555913204 /nfs/dbraw/zinc/91/32/04/555913204.db2.gz SEWUNIUXOVFGKQ-UHFFFAOYSA-N 0 0 486.664 1.011 50 0 JDAARN Cc1ccc(C(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)cc1S(=O)(=O)N1CCOCC1 ZINC000015536430 555913906 /nfs/dbraw/zinc/91/39/06/555913906.db2.gz GWPIDXLGBBYAKJ-JOCHJYFZSA-N 0 0 491.585 1.958 50 0 JDAARN Cc1sc2ncn(CC(=O)NCCCC(=O)NC[C@H]3COc4ccccc4O3)c(=O)c2c1C ZINC000012139759 555915943 /nfs/dbraw/zinc/91/59/43/555915943.db2.gz VADCOJSGTSKLQP-INIZCTEOSA-N 0 0 470.551 1.927 50 0 JDAARN COc1ccc(CNC(=O)C(=O)NC[C@H]2OCCCN2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000012140193 555917092 /nfs/dbraw/zinc/91/70/92/555917092.db2.gz ZESCQKNXMSBBKQ-HXUWFJFHSA-N 0 0 461.540 1.173 50 0 JDAARN COc1ccccc1CNC(=O)C(=O)NC[C@@H]1OCCCN1S(=O)(=O)c1ccc(C)cc1 ZINC000012140199 555917244 /nfs/dbraw/zinc/91/72/44/555917244.db2.gz MLTKESQYQPWAMX-FQEVSTJZSA-N 0 0 461.540 1.173 50 0 JDAARN COc1ccc(S(=O)(=O)N2CCCO[C@H]2CNC(=O)C(=O)NCc2ccc(F)cc2)cc1 ZINC000012140210 555917270 /nfs/dbraw/zinc/91/72/70/555917270.db2.gz UNQXHSBATWKWMU-IBGZPJMESA-N 0 0 465.503 1.004 50 0 JDAARN O=C(NCc1ccc(Cl)cc1)C(=O)NC[C@@H]1OCCCN1S(=O)(=O)c1ccc(F)cc1 ZINC000012140242 555917273 /nfs/dbraw/zinc/91/72/73/555917273.db2.gz PXLQRAFZPAPEMR-SFHVURJKSA-N 0 0 469.922 1.649 50 0 JDAARN COc1ccccc1CNC(=O)C(=O)NC[C@H]1OCCCN1S(=O)(=O)c1ccc(F)cc1 ZINC000012140240 555917276 /nfs/dbraw/zinc/91/72/76/555917276.db2.gz UVNZBVQLUMPYHA-LJQANCHMSA-N 0 0 465.503 1.004 50 0 JDAARN O=C(c1cc(-c2ccccc2)n[nH]1)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 ZINC000022282861 555917264 /nfs/dbraw/zinc/91/72/64/555917264.db2.gz SGTBHLJLQCSLJI-UHFFFAOYSA-N 0 0 482.566 1.455 50 0 JDAARN O=C(NCc1ccccc1Cl)C(=O)NC[C@@H]1OCCCN1S(=O)(=O)c1cccs1 ZINC000012140290 555917570 /nfs/dbraw/zinc/91/75/70/555917570.db2.gz MAAJHKCNYITNBE-HNNXBMFYSA-N 0 0 457.961 1.571 50 0 JDAARN COc1ccccc1CNC(=O)C(=O)NC[C@H]1OCCCN1S(=O)(=O)c1cc(F)ccc1F ZINC000012140266 555917591 /nfs/dbraw/zinc/91/75/91/555917591.db2.gz STIFAMGTXYSTCY-LJQANCHMSA-N 0 0 483.493 1.143 50 0 JDAARN O=C(NCc1ccc(Cl)cc1)C(=O)NC[C@@H]1OCCCN1S(=O)(=O)c1cccs1 ZINC000012140271 555917616 /nfs/dbraw/zinc/91/76/16/555917616.db2.gz PXNUJROEAYVCHS-HNNXBMFYSA-N 0 0 457.961 1.571 50 0 JDAARN CC(C)CN(C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)[C@H]1CCS(=O)(=O)C1 ZINC000015611188 555918909 /nfs/dbraw/zinc/91/89/09/555918909.db2.gz OKGLNLJLZZKZIX-WMZOPIPTSA-N 0 0 460.593 1.898 50 0 JDAARN O=C(COC(=O)c1ccccc1CN1C(=O)CNC1=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000022313417 555920588 /nfs/dbraw/zinc/92/05/88/555920588.db2.gz AQFZWYIGTGCLKO-UHFFFAOYSA-N 0 0 485.518 1.563 50 0 JDAARN NC(=O)[C@H]1CCCN(C(=O)C[C@@]2(c3ccccc3)CC(=O)N(CCCOc3cccnc3)C2=O)C1 ZINC000012149451 555921589 /nfs/dbraw/zinc/92/15/89/555921589.db2.gz CMHGCDOFSHGQQY-SIBVEZHUSA-N 0 0 478.549 1.661 50 0 JDAARN COc1ccc(C[C@]2(CCC(=O)N(C)[C@@H]3CS(=O)(=O)C[C@H]3O)CCC(=O)N2)c2ccccc12 ZINC000012150523 555922837 /nfs/dbraw/zinc/92/28/37/555922837.db2.gz ACBRLBWXTISCIE-YOSAUDMPSA-N 0 0 474.579 1.436 50 0 JDAARN CCOC(=O)CCC(=O)N1CCN(c2cc(S(=O)(=O)N(CC)CC)ccc2OC)CC1 ZINC000022345832 555923547 /nfs/dbraw/zinc/92/35/47/555923547.db2.gz FGRKRMWAOAHSIX-UHFFFAOYSA-N 0 0 455.577 1.718 50 0 JDAARN COc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1N1CCN(C(=O)COC(C)=O)CC1 ZINC000022351192 555924075 /nfs/dbraw/zinc/92/40/75/555924075.db2.gz ZQLHSKRARCVNIM-INIZCTEOSA-N 0 0 453.561 1.328 50 0 JDAARN Cc1c(C)n([C@H](C)c2ccccc2)c2nc3c(c(=O)n(CCN4CCOCC4)c(=O)n3C)n12 ZINC000022358789 555925739 /nfs/dbraw/zinc/92/57/39/555925739.db2.gz JKILHGXYRKETMU-GOSISDBHSA-N 0 0 450.543 1.708 50 0 JDAARN Cc1nn(C)c(C)c1CN1C(=O)c2cccc(N3CCC(C(=O)NC(C)(C)CO)CC3)c2C1=O ZINC000012152487 555926487 /nfs/dbraw/zinc/92/64/87/555926487.db2.gz XDKPZMKWSYIFKJ-UHFFFAOYSA-N 0 0 467.570 1.937 50 0 JDAARN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC[C@@H](c1cccs1)N1CCOCC1 ZINC000022374253 555927201 /nfs/dbraw/zinc/92/72/01/555927201.db2.gz ZBXGYSCWRULCEL-FQEVSTJZSA-N 0 0 479.624 1.881 50 0 JDAARN COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)N2CCN(c3ncccn3)CC2)CC1 ZINC000022377401 555927774 /nfs/dbraw/zinc/92/77/74/555927774.db2.gz VCASOOINFADOAK-UHFFFAOYSA-N 0 0 473.555 1.013 50 0 JDAARN Cc1ccc(NC(=O)CN2c3ccccc3OCCC2=O)cc1S(=O)(=O)N1CCOCC1 ZINC000022383847 555928199 /nfs/dbraw/zinc/92/81/99/555928199.db2.gz TZJMSCNUFWJGKL-UHFFFAOYSA-N 0 0 459.524 1.770 50 0 JDAARN Cc1ccc(S(=O)(=O)NCCC(=O)N2CCN(Cc3nc4ccccc4c(=O)[nH]3)CC2)cc1 ZINC000022386318 555928581 /nfs/dbraw/zinc/92/85/81/555928581.db2.gz LPZNSINLUAEOIM-UHFFFAOYSA-N 0 0 469.567 1.244 50 0 JDAARN C[C@@H](Sc1nc(CN2CCOCC2)nc2ccccc21)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000022405906 555929176 /nfs/dbraw/zinc/92/91/76/555929176.db2.gz XEWZLJUNHALKTO-HZPDHXFCSA-N 0 0 464.613 1.588 50 0 JDAARN CCN(C(=O)[C@H](C)Sc1nc(CN2CCOCC2)nc2ccccc21)[C@H]1CCS(=O)(=O)C1 ZINC000022405929 555929301 /nfs/dbraw/zinc/92/93/01/555929301.db2.gz ZBTDQHTXMWHBNE-IRXDYDNUSA-N 0 0 478.640 1.978 50 0 JDAARN O=C(CSc1nc(CN2CCOCC2)nc2ccccc21)N(C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000022405588 555929336 /nfs/dbraw/zinc/92/93/36/555929336.db2.gz CSHUDAKKXVJBTM-KRWDZBQOSA-N 0 0 476.624 1.732 50 0 JDAARN Cc1c(C)n2c(nc3c2c(=O)n(Cc2ccccc2Cl)c(=O)n3C)n1CCN1CCOCC1 ZINC000022406713 555929485 /nfs/dbraw/zinc/92/94/85/555929485.db2.gz VFRVVIMOKPOQJE-UHFFFAOYSA-N 0 0 470.961 1.800 50 0 JDAARN Cc1c(C)n2c(nc3c2c(=O)n(CCc2ccccc2)c(=O)n3C)n1CCN1CCOCC1 ZINC000022406470 555929511 /nfs/dbraw/zinc/92/95/11/555929511.db2.gz QSXBHDOSOPSFLZ-UHFFFAOYSA-N 0 0 450.543 1.341 50 0 JDAARN Cc1c(C)n2c(nc3c2c(=O)n(Cc2ccccc2C)c(=O)n3C)n1CCN1CCOCC1 ZINC000022406139 555929585 /nfs/dbraw/zinc/92/95/85/555929585.db2.gz OFUMYQUHXHCUBM-UHFFFAOYSA-N 0 0 450.543 1.455 50 0 JDAARN COC(=O)[C@@H]1CCCN1C(=O)c1c(OC)cc(=O)n2c1CCN(C(=O)c1cc(C)ccc1C)CC2 ZINC000012166386 555933175 /nfs/dbraw/zinc/93/31/75/555933175.db2.gz NPWQGVFMMBTRHJ-FQEVSTJZSA-N 0 0 481.549 1.950 50 0 JDAARN COCCN1C(=O)C[C@](CC(=O)N2CCN(c3cccc(C)n3)CC2)(c2cccc(OC)c2)C1=O ZINC000012167534 555933448 /nfs/dbraw/zinc/93/34/48/555933448.db2.gz QETRTCOJJDBVNJ-AREMUKBSSA-N 0 0 480.565 1.781 50 0 JDAARN COc1ccc(CCNC(=O)[C@H]2CCCN(S(=O)(=O)N3CCC4(CC3)OCCO4)C2)cc1OC ZINC000015677786 555941924 /nfs/dbraw/zinc/94/19/24/555941924.db2.gz WPUGXCQRZJRZJF-IBGZPJMESA-N 0 0 497.614 1.158 50 0 JDAARN CCOC(=O)CCCNC(=O)N1CCN(c2ncccc2C(=O)NCc2ccc3c(c2)OCO3)CC1 ZINC000022674630 555942554 /nfs/dbraw/zinc/94/25/54/555942554.db2.gz FGCQMUAUEUWGFA-UHFFFAOYSA-N 0 0 497.552 1.915 50 0 JDAARN CN(C(=O)CN1C(=O)CSc2ccc(S(=O)(=O)N3CCOCC3)cc21)C1CCCCC1 ZINC000015678518 555943920 /nfs/dbraw/zinc/94/39/20/555943920.db2.gz AWFYXYZQQBWOEU-UHFFFAOYSA-N 0 0 467.613 1.937 50 0 JDAARN COc1cccc(N2CCN(C(=O)CN(C)S(=O)(=O)c3ccc4[nH]c(=O)ccc4c3)CC2)c1 ZINC000015678599 555944307 /nfs/dbraw/zinc/94/43/07/555944307.db2.gz PJBVFKTZGSHTID-UHFFFAOYSA-N 0 0 470.551 1.506 50 0 JDAARN NS(=O)(=O)c1ccc(CCNC(=O)CN2c3ccccc3Oc3ncccc3C2=O)cc1 ZINC000015679936 555946808 /nfs/dbraw/zinc/94/68/08/555946808.db2.gz UZGWEWVMRVERMB-UHFFFAOYSA-N 0 0 452.492 1.840 50 0 JDAARN CC(=O)Nc1ccc(N2C(=O)CN(S(C)(=O)=O)C[C@]2(C)C(=O)NC2CCCCC2)cc1 ZINC000015680119 555947149 /nfs/dbraw/zinc/94/71/49/555947149.db2.gz HAJIWEHRWBSOCG-OAQYLSRUSA-N 0 0 450.561 1.461 50 0 JDAARN Cc1ccc(CNC(=O)[C@@]2(C)CN(S(C)(=O)=O)CC(=O)N2c2ccc(F)cc2F)cc1 ZINC000015680276 555947692 /nfs/dbraw/zinc/94/76/92/555947692.db2.gz SBHVJMLHICLRTM-OAQYLSRUSA-N 0 0 451.495 1.957 50 0 JDAARN C[C@@H](C(=O)OCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl)N1C(=O)c2ccccc2C1=O ZINC000012311576 555949876 /nfs/dbraw/zinc/94/98/76/555949876.db2.gz MMVNMYWQLMLAMB-LBPRGKRZSA-N 0 0 493.925 1.757 50 0 JDAARN NC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@H](C(=O)Nc2ccc(Cl)c(Cl)c2)CC(=O)N3)CC1 ZINC000012322028 555952058 /nfs/dbraw/zinc/95/20/58/555952058.db2.gz WSNYEYPIPBCDRN-LLVKDONJSA-N 0 0 479.324 1.843 50 0 JDAARN O=S(=O)(NCCNS(=O)(=O)c1cc(Cl)ccc1Cl)c1cccc2nonc21 ZINC000012322422 555952395 /nfs/dbraw/zinc/95/23/95/555952395.db2.gz PSFYBDRMKGPBQN-UHFFFAOYSA-N 0 0 451.313 1.786 50 0 JDAARN Cn1c(SCC(=O)NN2CC(=O)N(c3cccc(Cl)c3)CC2=O)nnc1-c1ccncc1 ZINC000012340823 555953628 /nfs/dbraw/zinc/95/36/28/555953628.db2.gz VWHLZXASEGXMLM-UHFFFAOYSA-N 0 0 471.930 1.529 50 0 JDAARN COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCN3S(=O)(=O)c2ccccc2)cc1 ZINC000012342419 555955545 /nfs/dbraw/zinc/95/55/45/555955545.db2.gz BFCWTVKEYCGXCU-UHFFFAOYSA-N 0 0 452.554 1.897 50 0 JDAARN O=C(CCc1nc(CN2CCN(S(=O)(=O)c3cccs3)CC2)no1)N1CCCCCC1 ZINC000015721989 555956507 /nfs/dbraw/zinc/95/65/07/555956507.db2.gz VSXGKFDCJJBIFQ-UHFFFAOYSA-N 0 0 467.617 1.973 50 0 JDAARN O=C(NCCCO)C(=O)NC[C@@H](c1ccc2c(c1)OCO2)N1CCN(c2ccc(F)cc2)CC1 ZINC000022851447 555957647 /nfs/dbraw/zinc/95/76/47/555957647.db2.gz JDEUEQNIHSBUST-FQEVSTJZSA-N 0 0 472.517 1.033 50 0 JDAARN CNC(=O)c1c2c(sc1NC(=O)c1cccc(S(C)(=O)=O)c1)CN(C(=O)OC)CC2 ZINC000012361185 555957719 /nfs/dbraw/zinc/95/77/19/555957719.db2.gz QWFFKIGSWUNJOI-UHFFFAOYSA-N 0 0 451.526 1.888 50 0 JDAARN O=C(NC[C@H](c1ccc2c(c1)OCO2)N1CCN(c2ccccc2F)CC1)C(=O)NC[C@@H]1CCCO1 ZINC000022851581 555958288 /nfs/dbraw/zinc/95/82/88/555958288.db2.gz ZOSSUOJYNXBUNU-SIKLNZKXSA-N 0 0 498.555 1.829 50 0 JDAARN COCCCNC(=O)C(=O)NC[C@@H](c1ccc2c(c1)OCO2)N1CCN(c2ccccc2F)CC1 ZINC000022851589 555958315 /nfs/dbraw/zinc/95/83/15/555958315.db2.gz JGHQEVVHMWWTOT-NRFANRHFSA-N 0 0 486.544 1.687 50 0 JDAARN CN1C(=O)c2cc(C(=O)N3CCC4(CC3)OCCO4)nn2C[C@@]1(C)C(=O)NC1CCCCCC1 ZINC000015723753 555958712 /nfs/dbraw/zinc/95/87/12/555958712.db2.gz CQYAOJPPFFUSHI-QHCPKHFHSA-N 0 0 473.574 1.546 50 0 biogenic JDAARN Cc1ccc(CNC(=O)[C@@]2(C)Cn3nc(C(=O)N4CCC5(CC4)OCCO5)cc3C(=O)N2C)cc1 ZINC000015723842 555958735 /nfs/dbraw/zinc/95/87/35/555958735.db2.gz FCLIMSVCOGKKCG-XMMPIXPASA-N 0 0 481.553 1.331 50 0 biogenic JDAARN CN1C(=O)c2cc(C(=O)N3CCC4(CC3)OCCO4)nn2C[C@]1(C)C(=O)NCc1ccccc1 ZINC000015723805 555958776 /nfs/dbraw/zinc/95/87/76/555958776.db2.gz MIFVYDFTNHVMFW-HSZRJFAPSA-N 0 0 467.526 1.023 50 0 biogenic JDAARN CC(=O)OC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](CNC(=O)c1ccc(C)c(C)c1)OC(C)=O ZINC000012368377 555960758 /nfs/dbraw/zinc/96/07/58/555960758.db2.gz MSJLXLUWRZXQEQ-QHAWAJNXSA-N 0 0 451.472 1.391 50 0 JDAARN Cc1cc(NC(=O)CN2CCN(C(=O)c3ccccc3F)CC2)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000022892334 555964099 /nfs/dbraw/zinc/96/40/99/555964099.db2.gz KFTDQXFXQGYQRT-INIZCTEOSA-N 0 0 463.535 1.087 50 0 JDAARN CC(C)[C@@H](NS(=O)(=O)c1cccc2nsnc21)C(=O)NCCNC(=O)c1ccco1 ZINC000022901826 555964761 /nfs/dbraw/zinc/96/47/61/555964761.db2.gz XZQZFXPMRDJIOD-OAHLLOKOSA-N 0 0 451.530 1.133 50 0 JDAARN O=C(COc1cccc(Cl)c1)NCCNC(=O)c1nc(CS(=O)(=O)c2ccccc2)no1 ZINC000012376813 555964727 /nfs/dbraw/zinc/96/47/27/555964727.db2.gz LUOMBOXBOMTZAK-UHFFFAOYSA-N 0 0 478.914 1.622 50 0 JDAARN CN(CC(=O)NC1CCN(C(=O)c2ccoc2)CC1)S(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000022900929 555964830 /nfs/dbraw/zinc/96/48/30/555964830.db2.gz RHCWNYWDKIDYFF-UHFFFAOYSA-N 0 0 477.539 1.482 50 0 JDAARN CC(C)[C@H](NS(=O)(=O)c1cccc2nsnc21)C(=O)NCCNC(=O)c1ccco1 ZINC000022901830 555964834 /nfs/dbraw/zinc/96/48/34/555964834.db2.gz XZQZFXPMRDJIOD-HNNXBMFYSA-N 0 0 451.530 1.133 50 0 JDAARN O=C(CSc1nc(=O)n(CCCN2CCOCC2)c2c1CCC2)Nc1ccc2c(c1)OCO2 ZINC000022908954 555966025 /nfs/dbraw/zinc/96/60/25/555966025.db2.gz RKRFXXQQVOLCCI-UHFFFAOYSA-N 0 0 472.567 1.914 50 0 JDAARN CCN1CCN(C(=O)[C@H](C)N2CCN(Cc3nc4sc5c(c4c(=O)[nH]3)CCCC5)CC2)CC1 ZINC000022912226 555967659 /nfs/dbraw/zinc/96/76/59/555967659.db2.gz BEXKUUZZQLJWNT-KRWDZBQOSA-N 0 0 472.659 1.534 50 0 JDAARN CCCC[C@@]1(c2ccc(F)cc2)NC(=O)N(CN2CCN([C@H]3CCS(=O)(=O)C3)CC2)C1=O ZINC000022913767 555968901 /nfs/dbraw/zinc/96/89/01/555968901.db2.gz PFNDMSMJYQHLCG-UGKGYDQZSA-N 0 0 466.579 1.525 50 0 JDAARN CCOC(=O)c1cc(S(=O)(=O)N2CCC[C@H]2C(=O)NCCc2nc3ccccc3[nH]2)cn1C ZINC000015728967 555969062 /nfs/dbraw/zinc/96/90/62/555969062.db2.gz AYDJFIVJASXPNC-SFHVURJKSA-N 0 0 473.555 1.590 50 0 JDAARN CCCC[C@@]1(c2ccc(F)cc2)NC(=O)N(CN2CCN([C@@H]3CCS(=O)(=O)C3)CC2)C1=O ZINC000022913758 555969026 /nfs/dbraw/zinc/96/90/26/555969026.db2.gz PFNDMSMJYQHLCG-KNQAVFIVSA-N 0 0 466.579 1.525 50 0 JDAARN COCCN(C(=O)CN1CCN(Cc2cccc3ccccc32)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000022915023 555969857 /nfs/dbraw/zinc/96/98/57/555969857.db2.gz HIBYAMIFAZDQRM-JOCHJYFZSA-N 0 0 459.612 1.620 50 0 JDAARN CCCCN(C(=O)CN1CCN(Cc2ccccc2)CC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000022917763 555971420 /nfs/dbraw/zinc/97/14/20/555971420.db2.gz HEMNPSXLXZNZPU-UHFFFAOYSA-N 0 0 470.618 1.726 50 0 JDAARN COc1ccccc1CNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc2c(c1)NC(=O)[C@H](C)O2 ZINC000015730130 555971466 /nfs/dbraw/zinc/97/14/66/555971466.db2.gz OBIQOEGRBQPBTF-KBXCAEBGSA-N 0 0 459.524 1.884 50 0 JDAARN C[C@@H]1CC(=O)Nc2cc(S(=O)(=O)NCCc3ccc(S(N)(=O)=O)cc3)ccc2S1 ZINC000015730910 555973132 /nfs/dbraw/zinc/97/31/32/555973132.db2.gz IBHVKNYMNLGMAY-GFCCVEGCSA-N 0 0 455.583 1.678 50 0 JDAARN COc1ccc(OCCN2CCN(CC(=O)NC(=O)Nc3ccc4c(c3)OCCO4)CC2)cc1 ZINC000022919227 555973297 /nfs/dbraw/zinc/97/32/97/555973297.db2.gz VBMLQQQXAQKCFR-UHFFFAOYSA-N 0 0 470.526 1.811 50 0 JDAARN CCOC(=O)N1CCN(C(=O)C2=C(C)C(=O)OC23CCN(S(=O)(=O)c2cccs2)CC3)CC1 ZINC000015731376 555974468 /nfs/dbraw/zinc/97/44/68/555974468.db2.gz MGYKVXWXORPPRC-UHFFFAOYSA-N 0 0 497.595 1.445 50 0 biogenic JDAARN CC(C)c1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCC(C(N)=O)CC4)[nH]c(=O)c32)cc1 ZINC000012391360 555974618 /nfs/dbraw/zinc/97/46/18/555974618.db2.gz WYUVJFGDLUZOEO-INIZCTEOSA-N 0 0 452.515 1.660 50 0 JDAARN COc1ccccc1N1CCN(C(=O)CCS(=O)(=O)c2ccc3c(c2)CC(=O)N3C)CC1 ZINC000015731650 555974731 /nfs/dbraw/zinc/97/47/31/555974731.db2.gz PFMBZZFMLKPQGC-UHFFFAOYSA-N 0 0 457.552 1.727 50 0 JDAARN O=C(CNS(=O)(=O)c1ccc(N2CCCC2=O)cc1)N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000012391795 555975044 /nfs/dbraw/zinc/97/50/44/555975044.db2.gz KGGIZAMLKSAYKF-QGZVFWFLSA-N 0 0 482.566 1.541 50 0 JDAARN COc1cc2nc(CSCC(=O)N3CCN(c4ccccn4)CC3)[nH]c(=O)c2cc1OC ZINC000012391812 555975116 /nfs/dbraw/zinc/97/51/16/555975116.db2.gz ZSNBVWMWSLNGHO-UHFFFAOYSA-N 0 0 455.540 1.917 50 0 JDAARN CC(C)CN(C(=O)CN1CCN(Cc2ccccc2)CC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000022924187 555976535 /nfs/dbraw/zinc/97/65/35/555976535.db2.gz PCMLRAKNLFAOAW-UHFFFAOYSA-N 0 0 470.618 1.582 50 0 JDAARN O=C(CN1CCN(CC(=O)N2CCOCC2)CC1)Nc1cc(C(F)(F)F)ccc1N1CCCC1 ZINC000022924259 555976542 /nfs/dbraw/zinc/97/65/42/555976542.db2.gz MDHRJONVBDNHIO-UHFFFAOYSA-N 0 0 483.535 1.721 50 0 JDAARN Cc1sc2nc(CN3CCN(CC(=O)NC(=O)Nc4ccc5c(c4)OCO5)CC3)[nH]c(=O)c2c1C ZINC000022925416 555977397 /nfs/dbraw/zinc/97/73/97/555977397.db2.gz OUBKTDKANPSVDG-UHFFFAOYSA-N 0 0 498.565 1.796 50 0 JDAARN COc1ccc(CN2CCN([C@H](C)C(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)CC2)cc1 ZINC000022926390 555977761 /nfs/dbraw/zinc/97/77/61/555977761.db2.gz ZPUZTIVHVXVUHC-OAQYLSRUSA-N 0 0 486.638 1.734 50 0 JDAARN COCCNC(=O)CN1CCN(CC(=O)N2N=C(c3cccs3)C[C@H]2c2cccs2)CC1 ZINC000022927188 555978281 /nfs/dbraw/zinc/97/82/81/555978281.db2.gz CDHMEFHJXQMKFS-SFHVURJKSA-N 0 0 475.640 1.868 50 0 JDAARN COc1cccc([C@@]2(C)NC(=O)N(CN3CCN(CC(=O)N4CCCCCC4)CC3)C2=O)c1 ZINC000022928305 555978540 /nfs/dbraw/zinc/97/85/40/555978540.db2.gz XADSKJWXJMDRRF-XMMPIXPASA-N 0 0 457.575 1.440 50 0 JDAARN O=C(CN1CCN(Cc2ccc3c(c2)OCO3)CC1)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000022928428 555979091 /nfs/dbraw/zinc/97/90/91/555979091.db2.gz NKLLQUZRJQZBPV-UHFFFAOYSA-N 0 0 454.483 1.652 50 0 JDAARN O=C(Cn1cnc(S(=O)(=O)N2CCCC2)c1)NCCCN1CCN(c2ccccc2F)CC1 ZINC000015734689 555980491 /nfs/dbraw/zinc/98/04/91/555980491.db2.gz IWLDVVIVWWAXSK-UHFFFAOYSA-N 0 0 478.594 1.135 50 0 JDAARN Cc1ccc(NC(=O)CN2CCN(CC(=O)NC3CC3)CC2)cc1I ZINC000022929732 555982409 /nfs/dbraw/zinc/98/24/09/555982409.db2.gz SRIZVAABZATTAJ-UHFFFAOYSA-N 0 0 456.328 1.434 50 0 JDAARN COc1ccc(C2=NN(C(=O)CN3CCN(CC(=O)NC4CC4)CC3)[C@@H](c3ccco3)C2)cc1 ZINC000022930180 555983482 /nfs/dbraw/zinc/98/34/82/555983482.db2.gz GMRSDDSBHPQWPF-JOCHJYFZSA-N 0 0 465.554 1.862 50 0 JDAARN COc1ccc(C2=NN(C(=O)CN3CCN(CC(=O)NC4CC4)CC3)[C@H](c3ccco3)C2)cc1 ZINC000022930183 555983540 /nfs/dbraw/zinc/98/35/40/555983540.db2.gz GMRSDDSBHPQWPF-QFIPXVFZSA-N 0 0 465.554 1.862 50 0 JDAARN CCOC(=O)N1CCC(NC(=O)CCNS(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000015741128 555983671 /nfs/dbraw/zinc/98/36/71/555983671.db2.gz APLLFSGUVVYFCD-UHFFFAOYSA-N 0 0 462.366 1.855 50 0 JDAARN COc1ccccc1N1CCN(C(=O)CN(C)S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)CC1 ZINC000015766569 555985820 /nfs/dbraw/zinc/98/58/20/555985820.db2.gz ATVJSPCVUHYHNQ-UHFFFAOYSA-N 0 0 460.512 1.099 50 0 JDAARN COc1ccccc1N1CCN(C(=O)Cn2cnc(S(=O)(=O)N3CCC(C)CC3)c2)CC1 ZINC000015767000 555985824 /nfs/dbraw/zinc/98/58/24/555985824.db2.gz LKOKASSQLAXIQB-UHFFFAOYSA-N 0 0 461.588 1.661 50 0 JDAARN O=C([C@@H]1CCCN(S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)C1)N1CCN(c2ccccc2)CC1 ZINC000015766522 555985841 /nfs/dbraw/zinc/98/58/41/555985841.db2.gz OLYYDQKNTMKLBK-QGZVFWFLSA-N 0 0 470.551 1.871 50 0 JDAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)N(CC(=O)N1CCOCC1)C(=O)[C@H]1CCCCN21 ZINC000015774360 555992806 /nfs/dbraw/zinc/99/28/06/555992806.db2.gz BCKXVMWEWDMQGX-LJQANCHMSA-N 0 0 464.588 1.281 50 0 JDAARN O=C1C(=O)N(C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)CCN1Cc1ccccn1 ZINC000015774719 555993085 /nfs/dbraw/zinc/99/30/85/555993085.db2.gz XPSJAUROAOOYPE-UHFFFAOYSA-N 0 0 462.959 1.759 50 0 JDAARN COC(=O)COc1ccc(C(=O)Cn2c3ccccc3n(CCN3CCOCC3)c2=N)cc1 ZINC000015774536 555993109 /nfs/dbraw/zinc/99/31/09/555993109.db2.gz COFWLERPEWNKHX-UHFFFAOYSA-N 0 0 452.511 1.689 50 0 JDAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CN1CCN(S(=O)(=O)CC)CC1)n2C ZINC000015774968 555993459 /nfs/dbraw/zinc/99/34/59/555993459.db2.gz KYXVSFANGAGBLV-UHFFFAOYSA-N 0 0 457.622 1.071 50 0 JDAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCCC3)cc2C[C@@H]1C(=O)NCCc1c(C)noc1C ZINC000015775572 555993961 /nfs/dbraw/zinc/99/39/61/555993961.db2.gz ORQUWUHLGBFESE-OAQYLSRUSA-N 0 0 460.556 1.712 50 0 JDAARN O=C(CCCC(=O)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1)c1cccs1 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ZINC000023732394 556086038 /nfs/dbraw/zinc/08/60/38/556086038.db2.gz YJNPOTFIHSUYDT-CTNGQTDRSA-N 0 0 492.642 1.393 50 0 JDAARN CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000023747218 556087176 /nfs/dbraw/zinc/08/71/76/556087176.db2.gz WEMHOTULCYZZHC-QHCPKHFHSA-N 0 0 484.578 1.552 50 0 JDAARN Cc1ccn2c(=O)cc(CN3CCN(S(=O)(=O)c4ccc5c(c4)OCCCO5)CC3)nc2c1 ZINC000023761389 556087609 /nfs/dbraw/zinc/08/76/09/556087609.db2.gz SSZVEESFDZHKNC-UHFFFAOYSA-N 0 0 470.551 1.671 50 0 JDAARN COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)CCC(=O)N1CCN(C(C)=O)CC1 ZINC000023761523 556087649 /nfs/dbraw/zinc/08/76/49/556087649.db2.gz KFPXFOUTKWPFQX-UHFFFAOYSA-N 0 0 494.614 1.669 50 0 JDAARN CN(CC(=O)c1c[nH]c(C(=O)N2CCCC2)c1)CC(=O)N1CCN(Cc2ccccc2)CC1 ZINC000023761905 556087898 /nfs/dbraw/zinc/08/78/98/556087898.db2.gz JBTIBDCRDYWBMC-UHFFFAOYSA-N 0 0 451.571 1.710 50 0 JDAARN Cc1cccc(CN2CCN(C(=O)[C@@H](CCS(C)(=O)=O)N3C(=O)c4ccccc4C3=O)CC2)c1 ZINC000023788731 556088314 /nfs/dbraw/zinc/08/83/14/556088314.db2.gz BTSDRUNZPBXPNZ-JOCHJYFZSA-N 0 0 483.590 1.739 50 0 JDAARN COc1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)[C@@H](CC(N)=O)N[C@@]32c3cc(Cl)cc(C)c3NC2=O)cc1 ZINC000015956691 556088819 /nfs/dbraw/zinc/08/88/19/556088819.db2.gz RTLALERPMMDQFG-BKJGLDIHSA-N 0 0 482.924 1.453 50 0 biogenic JDAARN CC(=O)c1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CCN(CCOc3ccccc3)CC2)cc1 ZINC000023817989 556089275 /nfs/dbraw/zinc/08/92/75/556089275.db2.gz PXOLYDAKJSFCCG-GOSISDBHSA-N 0 0 459.568 1.779 50 0 JDAARN CCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)n1 ZINC000023808903 556089411 /nfs/dbraw/zinc/08/94/11/556089411.db2.gz WJNXRCHYUUELKG-UHFFFAOYSA-N 0 0 456.528 1.863 50 0 JDAARN COc1ccccc1CN1C(=O)[C@@H]2[C@H](C1=O)[C@H]([C@@H](C)O)N[C@]21C(=O)Nc2ccc(Cl)cc21 ZINC000015958444 556089949 /nfs/dbraw/zinc/08/99/49/556089949.db2.gz SJIZLSKWOMRBFP-HOTVIMPFSA-N 0 0 455.898 1.650 50 0 biogenic JDAARN COc1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)[C@@H](CC(N)=O)N[C@@]32c3cccc(Cl)c3NC2=O)cc1 ZINC000015958588 556090210 /nfs/dbraw/zinc/09/02/10/556090210.db2.gz WRKDYLMLFCNVHJ-VGHKVXAASA-N 0 0 468.897 1.145 50 0 JDAARN COc1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)[C@H](CC(N)=O)N[C@@]32c3cccc(Cl)c3NC2=O)cc1 ZINC000015958589 556090219 /nfs/dbraw/zinc/09/02/19/556090219.db2.gz WRKDYLMLFCNVHJ-XITLKHQFSA-N 0 0 468.897 1.145 50 0 biogenic JDAARN Cc1cc2c(c(Cl)c1)NC(=O)[C@@]21N[C@@H](CC(N)=O)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21 ZINC000015958833 556090701 /nfs/dbraw/zinc/09/07/01/556090701.db2.gz IDYAUYJHCDEREF-XQNUDUSMSA-N 0 0 452.898 1.444 50 0 biogenic JDAARN CCc1ccc2c(c1)[C@]1(N[C@H]([C@@H](C)O)[C@H]3C(=O)N(Cc4ccc5c(c4)OCO5)C(=O)[C@H]31)C(=O)N2 ZINC000015959169 556090791 /nfs/dbraw/zinc/09/07/91/556090791.db2.gz JJMPDQAERXSDPT-BMRBBKCXSA-N 0 0 463.490 1.279 50 0 biogenic JDAARN O=C1C(=O)N(CN2CCN(S(=O)(=O)c3cccc(F)c3)CC2)C(=O)N1CCc1cccs1 ZINC000023843650 556090874 /nfs/dbraw/zinc/09/08/74/556090874.db2.gz IXUKMUZQXXEHTC-UHFFFAOYSA-N 0 0 480.543 1.185 50 0 JDAARN COc1ccc([C@H](CNC(=O)CN(c2ccccc2C)S(C)(=O)=O)N2CCOCC2)cc1 ZINC000023864695 556093469 /nfs/dbraw/zinc/09/34/69/556093469.db2.gz LXNZHCIXCWCJOF-QFIPXVFZSA-N 0 0 461.584 1.959 50 0 JDAARN C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)C1=O ZINC000023865266 556093732 /nfs/dbraw/zinc/09/37/32/556093732.db2.gz GRWLXCKCWYMBLV-DQEYMECFSA-N 0 0 475.505 1.354 50 0 JDAARN C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)C1=O ZINC000023865270 556093798 /nfs/dbraw/zinc/09/37/98/556093798.db2.gz GRWLXCKCWYMBLV-RPBOFIJWSA-N 0 0 475.505 1.354 50 0 JDAARN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000023865368 556093890 /nfs/dbraw/zinc/09/38/90/556093890.db2.gz AEJMXBMNZSTIOG-OAQYLSRUSA-N 0 0 473.595 1.647 50 0 JDAARN O=C(NCc1ccccc1CN1CCOCC1)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 ZINC000023865710 556094181 /nfs/dbraw/zinc/09/41/81/556094181.db2.gz YDMBFHMGMVLORI-QFIPXVFZSA-N 0 0 473.595 1.906 50 0 JDAARN C[C@H](O)[C@@H]1N[C@]2(C(=O)Nc3c2cccc3Cl)[C@@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]12 ZINC000015969305 556095248 /nfs/dbraw/zinc/09/52/48/556095248.db2.gz DZSFDEYHFSBIKV-SOHLIIOZSA-N 0 0 469.881 1.370 50 0 biogenic JDAARN O=C(NCc1ccccc1CN1CCOCC1)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1 ZINC000023866616 556095247 /nfs/dbraw/zinc/09/52/47/556095247.db2.gz HWBONIRRGAXTDN-QFIPXVFZSA-N 0 0 473.595 1.906 50 0 JDAARN Cc1cc2c(c(Cl)c1)NC(=O)[C@@]21N[C@H](CC(N)=O)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000015969892 556095924 /nfs/dbraw/zinc/09/59/24/556095924.db2.gz NAMMSLZIEDUSTO-SYSFZUQMSA-N 0 0 466.925 1.487 50 0 biogenic JDAARN Cc1cc2c(c(Cl)c1)NC(=O)[C@]21N[C@@H](CC(N)=O)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000015969890 556096011 /nfs/dbraw/zinc/09/60/11/556096011.db2.gz NAMMSLZIEDUSTO-DOGKRZLPSA-N 0 0 466.925 1.487 50 0 biogenic JDAARN C[C@]1(c2ccc3c(c2)OCO3)NC(=O)N(CN2CCN(S(=O)(=O)c3ccccc3)CC2)C1=O ZINC000023873159 556096595 /nfs/dbraw/zinc/09/65/95/556096595.db2.gz ZVDCBOYSVVVYQC-JOCHJYFZSA-N 0 0 472.523 1.146 50 0 JDAARN C[C@H](Sc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cn1)C(=O)N1CCNC1=O ZINC000023873140 556096623 /nfs/dbraw/zinc/09/66/23/556096623.db2.gz JTAHOMJTCFSZKH-KRWDZBQOSA-N 0 0 489.623 1.621 50 0 JDAARN Cn1nc(CC(=O)Nc2ccc(S(=O)(=O)NCCCN3CCOCC3)cc2)c2ccccc2c1=O ZINC000023873290 556096813 /nfs/dbraw/zinc/09/68/13/556096813.db2.gz GRSGYKVZDZTMLN-UHFFFAOYSA-N 0 0 499.593 1.115 50 0 JDAARN Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CN(C)c1ccc(S(=O)(=O)N2CCCC2)cn1 ZINC000023873444 556097394 /nfs/dbraw/zinc/09/73/94/556097394.db2.gz ZXHZJXXSYGBVMD-KRWDZBQOSA-N 0 0 467.617 1.675 50 0 JDAARN CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)c2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)C1=O ZINC000023881530 556097778 /nfs/dbraw/zinc/09/77/78/556097778.db2.gz VFFLQDWRCKNLCS-WZONZLPQSA-N 0 0 486.550 1.646 50 0 JDAARN Cc1noc(C)c1S(=O)(=O)N1CCN(CN2C(=O)N[C@](C)(c3ccc4c(c3)CCC4)C2=O)CC1 ZINC000023880921 556097808 /nfs/dbraw/zinc/09/78/08/556097808.db2.gz GIOOTLVYMFEKQS-HSZRJFAPSA-N 0 0 487.582 1.511 50 0 JDAARN CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)c2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)C1=O ZINC000023881517 556097917 /nfs/dbraw/zinc/09/79/17/556097917.db2.gz VFFLQDWRCKNLCS-MBSDFSHPSA-N 0 0 486.550 1.646 50 0 JDAARN C[C@@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(CC(=O)OCC(=O)NCC(=O)Nc1ccc(F)cc1)C2=O ZINC000023881807 556098245 /nfs/dbraw/zinc/09/82/45/556098245.db2.gz IDAHQIWYPJIWOT-LFVRLGFBSA-N 0 0 476.505 1.560 50 0 JDAARN Cn1nnnc1SCC(=O)Nc1ccc(C(=O)N[C@@H](CN2CCOCC2)c2ccccc2)cc1 ZINC000023909359 556101061 /nfs/dbraw/zinc/10/10/61/556101061.db2.gz AVCILIOZBXDSAQ-FQEVSTJZSA-N 0 0 481.582 1.744 50 0 JDAARN COc1ccc(CNC(=O)[C@H]2CS[C@](C)(C(=O)NCc3ccc(OC)cc3)N2C(=O)CO)cc1 ZINC000016000903 556105692 /nfs/dbraw/zinc/10/56/92/556105692.db2.gz LSMHLOXPVFVJQQ-HYBUGGRVSA-N 0 0 487.578 1.289 50 0 JDAARN O=C([C@H](Cc1ccccc1)n1cnnn1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000012758695 556108664 /nfs/dbraw/zinc/10/86/64/556108664.db2.gz KEEAHBJDTQSVAI-QFIPXVFZSA-N 0 0 466.567 1.479 50 0 JDAARN Cc1cc2c(c(Cl)c1)NC(=O)[C@]21N[C@@H](CC(N)=O)[C@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]21 ZINC000016009732 556108684 /nfs/dbraw/zinc/10/86/84/556108684.db2.gz POBTUOSSPLAQCR-XITLKHQFSA-N 0 0 470.888 1.584 50 0 JDAARN COc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H](CC(N)=O)N[C@@]21c2ccccc2NC1=O ZINC000016010102 556109478 /nfs/dbraw/zinc/10/94/78/556109478.db2.gz QUYBGSKJGHEJLJ-WBRFWCBQSA-N 0 0 454.870 1.149 50 0 JDAARN NC(=O)C[C@H]1N[C@@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(Cc3ccccc3Cl)C(=O)[C@H]12 ZINC000016011873 556110981 /nfs/dbraw/zinc/11/09/81/556110981.db2.gz VVTBSMYAGVVXCF-YDGKCNFYSA-N 0 0 473.316 1.789 50 0 JDAARN NC(=O)C[C@@H]1N[C@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(Cc3ccccc3Cl)C(=O)[C@@H]21 ZINC000016012635 556111417 /nfs/dbraw/zinc/11/14/17/556111417.db2.gz OQMFCUJHSQGUCN-PBWVOLNLSA-N 0 0 456.861 1.275 50 0 JDAARN NC(=O)C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]21 ZINC000016012658 556111749 /nfs/dbraw/zinc/11/17/49/556111749.db2.gz KSSQZJDNMRKHRM-CCFTVXDOSA-N 0 0 459.289 1.794 50 0 JDAARN Cc1ccc2c(c1C)NC(=O)[C@]21N[C@@H](CC(N)=O)[C@H]2C(=O)N(Cc3ccccc3Cl)C(=O)[C@H]21 ZINC000016013164 556112073 /nfs/dbraw/zinc/11/20/73/556112073.db2.gz LPKBYCXQBOYVBB-DOGKRZLPSA-N 0 0 466.925 1.753 50 0 JDAARN NC(=O)C[C@H]1N[C@@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]12 ZINC000016013141 556112117 /nfs/dbraw/zinc/11/21/17/556112117.db2.gz VSKSPZHWNJAIFH-YDGKCNFYSA-N 0 0 456.861 1.275 50 0 JDAARN Cc1ccc2c(c1C)NC(=O)[C@]21N[C@@H](CC(N)=O)[C@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]21 ZINC000016013190 556112124 /nfs/dbraw/zinc/11/21/24/556112124.db2.gz SBLZMJXTOYBWAV-DOGKRZLPSA-N 0 0 450.470 1.239 50 0 JDAARN CN(C)S(=O)(=O)c1ccc2oc(SCC(=O)N3CC(=O)NC(=O)C34CCCCC4)nc2c1 ZINC000012785110 556112281 /nfs/dbraw/zinc/11/22/81/556112281.db2.gz NHNAKWVNRITAJS-UHFFFAOYSA-N 0 0 480.568 1.358 50 0 JDAARN CCOc1ccc(NC(=O)CN(C)C(=O)c2cc(S(N)(=O)=O)ccc2OC)cc1OCC ZINC000023984250 556112526 /nfs/dbraw/zinc/11/25/26/556112526.db2.gz RSUPCTVDXGFOCU-UHFFFAOYSA-N 0 0 465.528 1.851 50 0 JDAARN Cc1cccc2c1NC(=O)[C@]21N[C@H](CC(N)=O)[C@H]2C(=O)N(Cc3ccccc3Cl)C(=O)[C@H]21 ZINC000016021297 556113687 /nfs/dbraw/zinc/11/36/87/556113687.db2.gz DJFORABKBRCNIF-VGHKVXAASA-N 0 0 452.898 1.444 50 0 JDAARN CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)N2CCN(Cc3ccsc3)CC2)c1 ZINC000023989566 556113777 /nfs/dbraw/zinc/11/37/77/556113777.db2.gz GECITQIMNYQEQF-UHFFFAOYSA-N 0 0 478.640 1.793 50 0 JDAARN NC(=O)CC[C@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000023989526 556113798 /nfs/dbraw/zinc/11/37/98/556113798.db2.gz LPNIIMRWUDSEPA-IBGZPJMESA-N 0 0 470.501 1.263 50 0 JDAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)N3CCN(CC(F)(F)F)CC3)CC2)cc1 ZINC000023989928 556114151 /nfs/dbraw/zinc/11/41/51/556114151.db2.gz VAVYQBLAHUMOLF-UHFFFAOYSA-N 0 0 490.548 1.315 50 0 JDAARN O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1)c1cccs1 ZINC000023990023 556114424 /nfs/dbraw/zinc/11/44/24/556114424.db2.gz ZIZIEPUSLDTBDE-OALUTQOASA-N 0 0 461.609 1.421 50 0 JDAARN O=C(N[C@H](Cc1ccccc1)C(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1)c1cccs1 ZINC000023990022 556114457 /nfs/dbraw/zinc/11/44/57/556114457.db2.gz ZIZIEPUSLDTBDE-RTBURBONSA-N 0 0 461.609 1.421 50 0 JDAARN O=C(N[C@@H](CN1CCOCC1)c1ccccc1)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 ZINC000023995536 556115431 /nfs/dbraw/zinc/11/54/31/556115431.db2.gz JRZZCUBTTOITAQ-NRFANRHFSA-N 0 0 477.558 1.650 50 0 JDAARN O=C(N[C@H](Cc1ccccc1)C(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1)c1ccccc1 ZINC000023995324 556115438 /nfs/dbraw/zinc/11/54/38/556115438.db2.gz BOZWDNYVRYGBGP-FCHUYYIVSA-N 0 0 455.580 1.359 50 0 JDAARN COc1cccc(Nc2nnc(SCC(=O)N3CCN([C@@H]4CCS(=O)(=O)C4)CC3)s2)c1 ZINC000024002709 556115971 /nfs/dbraw/zinc/11/59/71/556115971.db2.gz NTYLUAURQCVPTJ-OAHLLOKOSA-N 0 0 483.641 1.714 50 0 JDAARN NC(=O)C[C@H]1N[C@]2(C(=O)Nc3c2cccc3Cl)[C@@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]12 ZINC000016033840 556117947 /nfs/dbraw/zinc/11/79/47/556117947.db2.gz GDKHVNLGHXSZDG-SKGWCBBHSA-N 0 0 456.861 1.275 50 0 JDAARN COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)c3cc(Br)c[nH]3)CC2)c1 ZINC000024077748 556118740 /nfs/dbraw/zinc/11/87/40/556118740.db2.gz PFEBRQAFTFFUQX-UHFFFAOYSA-N 0 0 458.334 1.941 50 0 JDAARN Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000024072953 556118746 /nfs/dbraw/zinc/11/87/46/556118746.db2.gz OGKOCHZSOGKKAN-SFHVURJKSA-N 0 0 480.612 1.572 50 0 JDAARN COC(=O)C1C(C)=NC(=S)N[C@@H]1c1ccc(OCC(=O)N2C[C@@H](C)O[C@@H](C)C2)c(OC)c1 ZINC000016035710 556119259 /nfs/dbraw/zinc/11/92/59/556119259.db2.gz RUQQFQQMPXBOBR-MTJIALIYSA-N 0 0 463.556 1.676 50 0 JDAARN O=C(CSc1cccc[n+]1[O-])N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 ZINC000024136733 556123020 /nfs/dbraw/zinc/12/30/20/556123020.db2.gz HRADNOBYHSAKCA-UHFFFAOYSA-N 0 0 465.553 1.107 50 0 JDAARN CCOC(=O)c1ccc2c(c1)nc(SCC(=O)N1CCN([C@@H]3CCS(=O)(=O)C3)CC1)n2CC ZINC000024137643 556123097 /nfs/dbraw/zinc/12/30/97/556123097.db2.gz UDHJKXQNZRUYGX-QGZVFWFLSA-N 0 0 494.639 1.656 50 0 JDAARN CCOC(=O)C1=C(COC(=O)CNS(=O)(=O)c2ccc3ccccc3c2)NC(=O)N[C@H]1C ZINC000016044392 556124315 /nfs/dbraw/zinc/12/43/15/556124315.db2.gz GTAJOAFQGNVWPC-ZDUSSCGKSA-N 0 0 461.496 1.180 50 0 JDAARN CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)cc1 ZINC000012884720 556124380 /nfs/dbraw/zinc/12/43/80/556124380.db2.gz HCLOSYLWBIWBTE-UHFFFAOYSA-N 0 0 464.544 1.576 50 0 JDAARN COC(=O)[C@@H](CCSC)NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000012907697 556126567 /nfs/dbraw/zinc/12/65/67/556126567.db2.gz PZYOQJJEYXJYJI-MRXNPFEDSA-N 0 0 472.585 1.269 50 0 JDAARN CC(C)[C@@H](OC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1F)C(=O)NC(N)=O ZINC000012908096 556127104 /nfs/dbraw/zinc/12/71/04/556127104.db2.gz BRHUFESZNCKVMP-FUHWJXTLSA-N 0 0 465.503 1.478 50 0 JDAARN CC(C)[C@H](OC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1F)C(=O)NC(N)=O ZINC000012908091 556127153 /nfs/dbraw/zinc/12/71/53/556127153.db2.gz BRHUFESZNCKVMP-AEFFLSMTSA-N 0 0 465.503 1.478 50 0 JDAARN 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ZINC000019818020 556384886 /nfs/dbraw/zinc/38/48/86/556384886.db2.gz NPZQBEDBPMWFQE-UHFFFAOYSA-N 0 0 489.370 1.970 50 0 JDAARN COc1ccccc1[C@@H](CNC(=O)c1cccc(N2C(=O)CCS2(=O)=O)c1)N1CCOCC1 ZINC000019819087 556387269 /nfs/dbraw/zinc/38/72/69/556387269.db2.gz AEQAPWJVNROGJE-HXUWFJFHSA-N 0 0 473.551 1.565 50 0 JDAARN Cc1cccc([C@H](CNC(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2)N2CCOCC2)c1 ZINC000019819064 556387358 /nfs/dbraw/zinc/38/73/58/556387358.db2.gz YPCOTVAZKCKHDG-NRFANRHFSA-N 0 0 457.552 1.865 50 0 JDAARN COc1cccc([C@H](CNC(=O)c2cccc(N3C(=O)CCS3(=O)=O)c2)N2CCOCC2)c1 ZINC000019819068 556387368 /nfs/dbraw/zinc/38/73/68/556387368.db2.gz CDQUKKZKXYZOBS-NRFANRHFSA-N 0 0 473.551 1.565 50 0 JDAARN COc1cccc([C@@H](CNC(=O)c2cccc(N3C(=O)CCS3(=O)=O)c2)N2CCOCC2)c1 ZINC000019819066 556387433 /nfs/dbraw/zinc/38/74/33/556387433.db2.gz CDQUKKZKXYZOBS-OAQYLSRUSA-N 0 0 473.551 1.565 50 0 JDAARN CCOC(=O)C1CCN([C@H]2CS(=O)(=O)C[C@@H]2S(=O)(=O)c2cc(C)ccc2OC)CC1 ZINC000019821061 556391386 /nfs/dbraw/zinc/39/13/86/556391386.db2.gz VQJQGJHUHOYHOQ-LPHOPBHVSA-N 0 0 459.586 1.218 50 0 JDAARN CCOC(=O)[C@@H]1CCCN(c2nc3c(c(=O)[nH]2)[C@H](C(=O)Nc2ccc(F)c(F)c2)CC(=O)N3)C1 ZINC000019821482 556392063 /nfs/dbraw/zinc/39/20/63/556392063.db2.gz AMJRAZWMOQMMDA-DGCLKSJQSA-N 0 0 475.452 1.892 50 0 JDAARN CCOC(=O)[C@H]1CCCN(c2nc3c(c(=O)[nH]2)[C@H](C(=O)Nc2ccc(F)c(F)c2)CC(=O)N3)C1 ZINC000019821484 556392092 /nfs/dbraw/zinc/39/20/92/556392092.db2.gz AMJRAZWMOQMMDA-WCQYABFASA-N 0 0 475.452 1.892 50 0 JDAARN COc1cc2c(cc1OC)CN(C(=O)c1cccc(S(=O)(=O)N[C@@H]3CCS(=O)(=O)C3)c1)CC2 ZINC000031209516 556394443 /nfs/dbraw/zinc/39/44/43/556394443.db2.gz JIXROFDUSLYISE-GOSISDBHSA-N 0 0 494.591 1.368 50 0 JDAARN O=C(NCCN1CCN(Cc2ccc(Br)cc2)CC1)C(=O)NCc1ccccc1 ZINC000019831122 556398066 /nfs/dbraw/zinc/39/80/66/556398066.db2.gz HPBHBVQEPBKJMD-UHFFFAOYSA-N 0 0 459.388 1.999 50 0 JDAARN Cc1ccc(-c2noc([C@@H](C)N3CCN(S(=O)(=O)c4ccc(S(N)(=O)=O)cc4)CC3)n2)cc1 ZINC000031583930 556399870 /nfs/dbraw/zinc/39/98/70/556399870.db2.gz XVSNFXDVLPDNBA-MRXNPFEDSA-N 0 0 491.595 1.760 50 0 JDAARN CN(C(=O)c1cccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000031610384 556400455 /nfs/dbraw/zinc/40/04/55/556400455.db2.gz MEWOPNPVNLCXQE-FQEVSTJZSA-N 0 0 495.598 1.596 50 0 JDAARN CC(=O)c1ccc(NS(=O)(=O)c2cccc(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)c2)cc1 ZINC000031773010 556403440 /nfs/dbraw/zinc/40/34/40/556403440.db2.gz QMEBSLGMTWWRNG-GOSISDBHSA-N 0 0 457.551 1.651 50 0 JDAARN CC(=O)c1ccc(NS(=O)(=O)c2cccc(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)c2)cc1 ZINC000031773012 556403456 /nfs/dbraw/zinc/40/34/56/556403456.db2.gz QMEBSLGMTWWRNG-SFHVURJKSA-N 0 0 457.551 1.651 50 0 JDAARN COc1ccc(NS(=O)(=O)c2cccc(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)c2)cc1OC ZINC000031773002 556403504 /nfs/dbraw/zinc/40/35/04/556403504.db2.gz CDEXLAQQPGPRTG-INIZCTEOSA-N 0 0 475.566 1.465 50 0 JDAARN CC(=O)Nc1ccc(NS(=O)(=O)c2cccc(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)c2)cc1 ZINC000031773020 556403810 /nfs/dbraw/zinc/40/38/10/556403810.db2.gz ZHGGEWGFSBSNQC-SFHVURJKSA-N 0 0 472.566 1.407 50 0 JDAARN Cc1cc(C)cc(N2C(=O)CN(CCc3ccc(S(N)(=O)=O)cc3)[C@H]3CS(=O)(=O)C[C@H]32)c1 ZINC000031773640 556403812 /nfs/dbraw/zinc/40/38/12/556403812.db2.gz APJWHIAWRMSROB-LEWJYISDSA-N 0 0 477.608 1.008 50 0 JDAARN COC(=O)c1cccc(NS(=O)(=O)c2cccc(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)c2)c1 ZINC000031773026 556403813 /nfs/dbraw/zinc/40/38/13/556403813.db2.gz LCCUYOQVLIIAAX-QGZVFWFLSA-N 0 0 473.550 1.235 50 0 JDAARN Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)c2c(=O)[nH]n(C)c2n1 ZINC000031781323 556404228 /nfs/dbraw/zinc/40/42/28/556404228.db2.gz KTTXIGINASREME-UHFFFAOYSA-N 0 0 494.371 1.892 50 0 JDAARN Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N1CCC[C@H](C(=O)Nc2cccc(Br)c2)C1 ZINC000031807217 556405040 /nfs/dbraw/zinc/40/50/40/556405040.db2.gz LLFNEKSCPQQXJZ-NSHDSACASA-N 0 0 471.333 1.174 50 0 JDAARN Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000031807660 556405325 /nfs/dbraw/zinc/40/53/25/556405325.db2.gz LEDXBBAZASKWPJ-LLVKDONJSA-N 0 0 476.433 1.310 50 0 JDAARN O=C(C[C@@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O)N1CCN(CCc2ccccn2)CC1 ZINC000031807749 556405338 /nfs/dbraw/zinc/40/53/38/556405338.db2.gz DRDYKJMKGAKKPN-IBGZPJMESA-N 0 0 465.510 1.212 50 0 JDAARN Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)CCc1c(C)c2c(=O)[nH]n(C)c2[nH]c1=O ZINC000031809751 556405913 /nfs/dbraw/zinc/40/59/13/556405913.db2.gz PMNLGQOPSUCCFB-UHFFFAOYSA-N 0 0 490.358 1.964 50 0 JDAARN O=C(C[C@@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000032104524 556417645 /nfs/dbraw/zinc/41/76/45/556417645.db2.gz AJFVHUXFRSJEMR-SFHVURJKSA-N 0 0 454.458 1.918 50 0 JDAARN COc1cccc(N2CCN(C(=O)C[C@@H]3NC(=O)N(Cc4ccc5c(c4)OCO5)C3=O)CC2)c1 ZINC000032105552 556417938 /nfs/dbraw/zinc/41/79/38/556417938.db2.gz KAHPRTLLSJQCBI-IBGZPJMESA-N 0 0 466.494 1.788 50 0 JDAARN CC[C@@H](C)[C@H](NC(=O)Cn1cnc2cc(OC)c(OC)cc2c1=O)C(=O)NCc1ccccn1 ZINC000032124166 556426930 /nfs/dbraw/zinc/42/69/30/556426930.db2.gz SDEUCAKTBXVWOZ-QRQCRPRQSA-N 0 0 467.526 1.656 50 0 biogenic JDAARN CC[C@@H](C)[C@H](NC(=O)Cn1cnc2cc(OC)c(OC)cc2c1=O)C(=O)NCc1ccco1 ZINC000032124509 556427231 /nfs/dbraw/zinc/42/72/31/556427231.db2.gz VFPKWEJDBNAVDV-SZNDQCEHSA-N 0 0 456.499 1.854 50 0 biogenic JDAARN O=C(NC[C@@H]1CN(Cc2ccccc2)CCO1)c1cnn(-c2ccc(=O)[nH]n2)c1C(F)(F)F ZINC000032275858 556433963 /nfs/dbraw/zinc/43/39/63/556433963.db2.gz JAAJUISVTWAFTC-OAHLLOKOSA-N 0 0 462.432 1.605 50 0 JDAARN O=C(c1ccc(Br)o1)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC000032442988 556435780 /nfs/dbraw/zinc/43/57/80/556435780.db2.gz KAMRMVMJOGGMNZ-UHFFFAOYSA-N 0 0 470.301 1.520 50 0 JDAARN COc1ccc(OCc2nnc(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)n2C)cc1 ZINC000032579359 556446391 /nfs/dbraw/zinc/44/63/91/556446391.db2.gz IZCNVUOAPWIAIE-UHFFFAOYSA-N 0 0 463.541 1.781 50 0 JDAARN NC(=O)COc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000032622067 556451383 /nfs/dbraw/zinc/45/13/83/556451383.db2.gz UOQPIYCPNIULRM-QHCPKHFHSA-N 0 0 477.517 1.925 50 0 JDAARN O=C(Cn1c2cnn([C@@H]3CCS(=O)(=O)C3)c2cnc1=O)Nc1cccc(C(F)(F)F)c1 ZINC000032642350 556465492 /nfs/dbraw/zinc/46/54/92/556465492.db2.gz SVSRTDIVCAQQDW-CYBMUJFWSA-N 0 0 455.418 1.610 50 0 JDAARN Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)N1CCN(CCS(=O)(=O)CCC(N)=O)CC1 ZINC000032665105 556466479 /nfs/dbraw/zinc/46/64/79/556466479.db2.gz VANNVBMKTNXFTM-UHFFFAOYSA-N 0 0 473.661 1.197 50 0 JDAARN CCCCn1c(N)c(N(CCOC)C(=O)CSc2nc3ccccc3c(=O)[nH]2)c(=O)[nH]c1=O ZINC000032666514 556466727 /nfs/dbraw/zinc/46/67/27/556466727.db2.gz WQKNEGCXNNDDRC-UHFFFAOYSA-N 0 0 474.543 1.339 50 0 JDAARN C[C@H](OC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000032669970 556467622 /nfs/dbraw/zinc/46/76/22/556467622.db2.gz CYJSUHQSFUUGGT-AAEUAGOBSA-N 0 0 473.454 1.324 50 0 JDAARN Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)[C@H]3CC[C@H](C(F)(F)F)NC3=O)CC2)c(C)c1 ZINC000032670957 556467950 /nfs/dbraw/zinc/46/79/50/556467950.db2.gz JADUHGOGMAZNNB-JKSUJKDBSA-N 0 0 461.506 1.902 50 0 JDAARN COc1ccc(-c2nnc(SCC(=O)NC[C@H]3COc4ccccc4O3)n2N)cc1OC ZINC000032672122 556468520 /nfs/dbraw/zinc/46/85/20/556468520.db2.gz DAQMSPAQRZUSLM-AWEZNQCLSA-N 0 0 457.512 1.724 50 0 JDAARN C[C@@H](OC(=O)[C@@H]1CCCN1S(C)(=O)=O)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000032672278 556468532 /nfs/dbraw/zinc/46/85/32/556468532.db2.gz DVECFGWFGYBWFO-DYVFJYSZSA-N 0 0 493.504 1.836 50 0 JDAARN O=C(Nc1nc(CN2CCOCC2)cs1)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 ZINC000032674621 556468910 /nfs/dbraw/zinc/46/89/10/556468910.db2.gz WLHZDMRBXTVJJQ-KRWDZBQOSA-N 0 0 454.549 1.906 50 0 JDAARN Cn1nc(C(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)c2ccccc2c1=O ZINC000032706095 556472303 /nfs/dbraw/zinc/47/23/03/556472303.db2.gz DOQYIPBBKKBDJN-UHFFFAOYSA-N 0 0 456.524 1.026 50 0 JDAARN Cc1ccc(N2N=C(C(=O)N3CCN(S(=O)(=O)c4ccc(F)cc4F)CC3)NCC2=O)cc1 ZINC000032713315 556472946 /nfs/dbraw/zinc/47/29/46/556472946.db2.gz ODCPSVRQFBMKIJ-UHFFFAOYSA-N 0 0 477.493 1.056 50 0 JDAARN CC[S@@](=O)c1ccccc1C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000032722053 556475582 /nfs/dbraw/zinc/47/55/82/556475582.db2.gz XURYWFOLVPJEIF-PMERELPUSA-N 0 0 464.565 1.732 50 0 JDAARN C[C@H]1C[C@@H](OC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C(=O)O1 ZINC000032736447 556477591 /nfs/dbraw/zinc/47/75/91/556477591.db2.gz CKRTUCNCEWJTQW-XJKSGUPXSA-N 0 0 458.920 1.200 50 0 JDAARN CN1CC(=O)N(CCCC(=O)N2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)C1=O ZINC000032739199 556479220 /nfs/dbraw/zinc/47/92/20/556479220.db2.gz HYFLUEGFHZHRPC-UHFFFAOYSA-N 0 0 476.477 1.213 50 0 JDAARN CCS(=O)(=O)N1CCC(C(=O)Nc2ccc(N3CCOCC3)cc2N2CCOCC2)CC1 ZINC000032744583 556482081 /nfs/dbraw/zinc/48/20/81/556482081.db2.gz GXZNGDXXPRCOAW-UHFFFAOYSA-N 0 0 466.604 1.360 50 0 JDAARN O=C(c1ccc(-c2nnco2)cc1)N1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3)CC1 ZINC000032744762 556482154 /nfs/dbraw/zinc/48/21/54/556482154.db2.gz OPGQWIAOZJTPEI-UHFFFAOYSA-N 0 0 453.480 1.378 50 0 JDAARN C[C@H](OC(=O)Cc1csc(N2CCCC2=O)n1)C(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000032745496 556483459 /nfs/dbraw/zinc/48/34/59/556483459.db2.gz PBCNTGXLNNCORD-LBPRGKRZSA-N 0 0 451.526 1.999 50 0 JDAARN CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)C(=O)OCC(=O)N[C@@H]2CCOc3ccccc32)cc1 ZINC000032747243 556483721 /nfs/dbraw/zinc/48/37/21/556483721.db2.gz SJNLOWSKVUGPJI-AUUYWEPGSA-N 0 0 475.523 1.495 50 0 JDAARN CCOC(=O)C1=C(CN2CCN(CC(=O)N3CCCCC3)CC2)NC(=O)N[C@@H]1c1ccc(C)o1 ZINC000032754854 556487169 /nfs/dbraw/zinc/48/71/69/556487169.db2.gz QBZJAALDXZJJRW-JOCHJYFZSA-N 0 0 473.574 1.389 50 0 JDAARN CNC(=O)[C@@H]1CN(CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)c2ccccc2O1 ZINC000032764724 556488427 /nfs/dbraw/zinc/48/84/27/556488427.db2.gz XGYSBTAXOVUAEC-INIZCTEOSA-N 0 0 499.014 1.248 50 0 JDAARN CCCCn1c2nc(Cn3cc(S(=O)(=O)N4CCCC4)ccc3=O)n(CCC)c2c(=O)[nH]c1=O ZINC000032765068 556488792 /nfs/dbraw/zinc/48/87/92/556488792.db2.gz BXHKKYRLQSSDAH-UHFFFAOYSA-N 0 0 490.586 1.091 50 0 JDAARN COc1ccc([C@@H](CNC(=O)c2cc(S(=O)(=O)N3CCCC3)c[nH]2)N2CCOCC2)cc1OC ZINC000032768360 556489011 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CCn1cc(C(=O)N[C@@H](C(=O)N2CCC(C(=O)OC)CC2)C(C)C)c(=O)c2cc3c(cc21)OCO3 ZINC000209094837 569875957 /nfs/dbraw/zinc/87/59/57/569875957.db2.gz HEAKALRHIHHYHR-OAQYLSRUSA-N 0 0 485.537 1.916 50 0 JDAARN COC(=O)C[C@H](c1cc(OC)c(OC)cc1OC)c1oc(CN2CCOCC2)cc(=O)c1O ZINC000217761537 569881407 /nfs/dbraw/zinc/88/14/07/569881407.db2.gz NZLGDPMKVFECNN-MRXNPFEDSA-N 0 0 463.483 1.898 50 0 biogenic JDAARN COC(=O)CCNC(=O)CN1C(=O)c2ccccc2N2C(=O)c3c(ccc(OC)c3OC)[C@@H]21 ZINC000217885825 569881999 /nfs/dbraw/zinc/88/19/99/569881999.db2.gz ZPTDCODQNSFGEY-OAQYLSRUSA-N 0 0 453.451 1.498 50 0 biogenic JDAARN O=C1[C@H]2[C@@H](C(=O)N1c1ccc(CCO)cc1)C1C=CC2[C@H]2C(=O)N(c3ccc(CCO)cc3)C(=O)[C@H]21 ZINC000224006671 569930230 /nfs/dbraw/zinc/93/02/30/569930230.db2.gz XNOYNMLCVHVXGU-DLMXUGLJSA-N 0 0 486.524 1.483 50 0 JDAARN COc1ccc(S(=O)(=O)N2C[C@H](C(=O)N3CCOCC3)[C@H](c3cccc(OC)c3)C2)cc1 ZINC000225149084 569977986 /nfs/dbraw/zinc/97/79/86/569977986.db2.gz NVGITDMMEJOTDA-VXKWHMMOSA-N 0 0 460.552 1.967 50 0 JDAARN O=C(C[C@@H]1NC(=O)N(Cc2ccc(Cl)cc2)C1=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000225419723 569995890 /nfs/dbraw/zinc/99/58/90/569995890.db2.gz TZUFJNBPRXSFBS-RYRKJORJSA-N 0 0 454.914 1.958 50 0 biogenic JDAARN CNC(=O)c1ccc(N2C(=O)[C@@H]3SC(N)=C4C(=O)Oc5cc(O)ccc5[C@H]4[C@@H]3C2=O)cc1 ZINC000226883253 570039090 /nfs/dbraw/zinc/03/90/90/570039090.db2.gz VNUCRUYLVNNXTM-YQQAZPJKSA-N 0 0 451.460 1.230 50 0 JDAARN COC(=O)c1ccc(OC)c(N2C(=O)[C@@H]3SC(N)=C4C(=O)Oc5cc(O)ccc5[C@H]4[C@@H]3C2=O)c1 ZINC000226884687 570039109 /nfs/dbraw/zinc/03/91/09/570039109.db2.gz QNECBBMBNLEURK-XYJFISCASA-N 0 0 482.470 1.665 50 0 JDAARN COC(=O)c1ccc(OC)c(N2C(=O)[C@@H]3SC(N)=C4C(=O)Oc5ccccc5[C@H]4[C@@H]3C2=O)c1 ZINC000226884715 570039143 /nfs/dbraw/zinc/03/91/43/570039143.db2.gz KVEPHZKIDCJWCD-XYJFISCASA-N 0 0 466.471 1.960 50 0 JDAARN CNC(=O)c1ccc(OC)c(N2C(=O)[C@@H]3SC(N)=C4C(=O)Oc5ccccc5[C@H]4[C@@H]3C2=O)c1 ZINC000226896392 570039229 /nfs/dbraw/zinc/03/92/29/570039229.db2.gz WTJWQWIBOHNIMW-XYJFISCASA-N 0 0 465.487 1.533 50 0 JDAARN C[C@@H]1CN(c2ncnc3c2cnn3CCNC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)C[C@@H](C)O1 ZINC000227502525 570040268 /nfs/dbraw/zinc/04/02/68/570040268.db2.gz FKRHWGOEILALKZ-KURKYZTESA-N 0 0 463.542 1.609 50 0 JDAARN CCCCN1C(=O)C[C@H](C(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)[C@@H]1c1ccc(OC)cc1 ZINC000229565270 570040642 /nfs/dbraw/zinc/04/06/42/570040642.db2.gz MTQCZIIFYJBLCH-RRPUWOKSSA-N 0 0 477.627 1.716 50 0 JDAARN Cn1c([C@H]2COc3ccccc3O2)nn(CN2CCC[C@@H](CNS(C)(=O)=O)C2)c1=S ZINC000229771037 570041150 /nfs/dbraw/zinc/04/11/50/570041150.db2.gz BIQCODBRBVIXFO-WMLDXEAASA-N 0 0 453.590 1.682 50 0 JDAARN COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@H]([C@@H](C)O)N[C@@]32C(=O)Nc3ccc(Cl)cc32)cc1OC ZINC000229892054 570041829 /nfs/dbraw/zinc/04/18/29/570041829.db2.gz XHTCCVSZASATDB-RMLZHUDVSA-N 0 0 499.951 1.701 50 0 JDAARN CCCN1C(=O)NC(=O)[C@]2(Cc3c(=O)n4ccccc4nc3N3CCc4ccccc4[C@H]32)C1=O ZINC000229902446 570042273 /nfs/dbraw/zinc/04/22/73/570042273.db2.gz ZUJIADOVEQWLPM-UQBPGWFLSA-N 0 0 457.490 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195229294 /nfs/dbraw/zinc/22/92/94/195229294.db2.gz ROVHWZAMDHOMCS-QGZVFWFLSA-N 0 0 471.645 1.967 50 0 JDAARN C[C@@H](O)[C@@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)OCC(=O)NCc1cccs1 ZINC000020822368 195229630 /nfs/dbraw/zinc/22/96/30/195229630.db2.gz RNXLCJUIPCZIQC-QLJPJBMISA-N 0 0 481.379 1.942 50 0 JDAARN Cc1sc2ncn(CC(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)c(=O)c2c1S(=O)(=O)N1CCOCC1 ZINC000020848133 195230344 /nfs/dbraw/zinc/23/03/44/195230344.db2.gz IBHVEDHFIRHHCN-IIAWOOMASA-N 0 0 482.628 1.728 50 0 JDAARN COc1cc2ncn(CC(=O)N[C@@H](C)C(=O)N3CCN(Cc4ccccc4)CC3)c(=O)c2cc1OC ZINC000020746033 195215077 /nfs/dbraw/zinc/21/50/77/195215077.db2.gz DMMLOZRAUKPFGD-SFHVURJKSA-N 0 0 493.564 1.263 50 0 JDAARN COc1c2c(cc3c1[C@@H](c1nnnn1-c1ccc(C(=O)N4CCOCC4)cc1)N(C)CC3)OCO2 ZINC000020758569 195216936 /nfs/dbraw/zinc/21/69/36/195216936.db2.gz SMNYEZHJSZDGSY-FQEVSTJZSA-N 0 0 478.509 1.449 50 0 biogenic JDAARN COc1cc2ncn(CC(=O)NCCC(=O)NCCc3c[nH]c4ccccc34)c(=O)c2cc1OC ZINC000020760590 195217486 /nfs/dbraw/zinc/21/74/86/195217486.db2.gz VUCVRDKHHIAVFL-UHFFFAOYSA-N 0 0 477.521 1.760 50 0 biogenic JDAARN COc1cc2ncn(CC(=O)NCC(=O)NCCc3c[nH]c4ccccc34)c(=O)c2cc1OC ZINC000020761058 195218022 /nfs/dbraw/zinc/21/80/22/195218022.db2.gz CGYPWRQMSOBVHL-UHFFFAOYSA-N 0 0 463.494 1.370 50 0 biogenic JDAARN Cc1cccc(CCNC(=O)CN(C)S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)c1 ZINC000020761875 195218260 /nfs/dbraw/zinc/21/82/60/195218260.db2.gz MGOFHKCGJKZXMP-UHFFFAOYSA-N 0 0 451.932 1.959 50 0 JDAARN COc1ccc([C@@H](CC(=O)NCCN2CCOCC2)NS(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000020766030 195221248 /nfs/dbraw/zinc/22/12/48/195221248.db2.gz CMSMDSSGHBCUKH-JOCHJYFZSA-N 0 0 477.583 1.562 50 0 JDAARN COc1ccc(-n2nc(C(=O)NCCCN3CCOCC3)c3ccccc3c2=O)c(OC)c1 ZINC000020768849 195223524 /nfs/dbraw/zinc/22/35/24/195223524.db2.gz XAXVKZUFSRCTLH-UHFFFAOYSA-N 0 0 452.511 1.855 50 0 JDAARN COc1cc([C@@H]2SC(NC(C)=O)=NN2C(C)=O)cc(Br)c1OS(C)(=O)=O ZINC000020895604 195239597 /nfs/dbraw/zinc/23/95/97/195239597.db2.gz KTMJDERZGPVGQD-ZDUSSCGKSA-N 0 0 466.335 1.797 50 0 JDAARN CC(=O)N1c2ccc(S(=O)(=O)N(C)CC(=O)N3CCN(Cc4ccccc4)CC3)cc2C[C@H]1C ZINC000020922431 195248291 /nfs/dbraw/zinc/24/82/91/195248291.db2.gz YHHFTHCIGCGNKD-LJQANCHMSA-N 0 0 484.622 1.949 50 0 JDAARN Cc1[nH]c2ccccc2c1CC(=O)N1CCC([C@]2(C)NC(=O)N(CCN3CCOCC3)C2=O)CC1 ZINC000020913836 195246130 /nfs/dbraw/zinc/24/61/30/195246130.db2.gz UDNQLPVXVYVRAL-SANMLTNESA-N 0 0 481.597 1.900 50 0 JDAARN COC(=O)[C@H]1CCCCN1C(=O)c1c(OC)cc(=O)n2c1CCN(Cc1cccc(C)n1)CC2 ZINC000020917703 195246634 /nfs/dbraw/zinc/24/66/34/195246634.db2.gz URCJVVCMQMQFDN-HXUWFJFHSA-N 0 0 468.554 1.786 50 0 JDAARN CCCc1cc(=O)n2nc(N3CCC(C(=O)N4CCN(c5ncccn5)CC4)CC3)sc2n1 ZINC000020866194 195234552 /nfs/dbraw/zinc/23/45/52/195234552.db2.gz SPZPBJOTFCEPSY-UHFFFAOYSA-N 0 0 468.587 1.459 50 0 JDAARN Cc1cc(S(=O)(=O)N2CCC(Oc3cccc(-n4cnnn4)c3)CC2)ccc1-n1cnnn1 ZINC000020890602 195236912 /nfs/dbraw/zinc/23/69/12/195236912.db2.gz NPIOGCJBZSKMFS-UHFFFAOYSA-N 0 0 467.515 1.179 50 0 JDAARN COc1ccc(CN2CCN(C(=O)Cn3cnc4onc(C)c4c3=O)CC2)c(OC)c1OC ZINC000020941861 195255902 /nfs/dbraw/zinc/25/59/02/195255902.db2.gz RDKQBGLYGDPNKF-UHFFFAOYSA-N 0 0 457.487 1.063 50 0 JDAARN COC(=O)CC(=O)CSc1nc2cc(C(=O)NC(C)C)ccc2c(=O)n1C[C@@H]1CCCO1 ZINC000020945891 195256669 /nfs/dbraw/zinc/25/66/69/195256669.db2.gz VXHUOEHGNIEIRR-INIZCTEOSA-N 0 0 461.540 1.938 50 0 JDAARN CC1=C(C(=O)NCc2cccc(Br)c2)C2(CCN(S(C)(=O)=O)CC2)OC1=O ZINC000020981035 195258692 /nfs/dbraw/zinc/25/86/92/195258692.db2.gz GTCYAKBYFWRYOB-UHFFFAOYSA-N 0 0 457.346 1.733 50 0 biogenic JDAARN O=C(CN1C(=O)CSc2ccc(S(=O)(=O)N3CCOCC3)cc21)NCc1ccccc1 ZINC000020923302 195248576 /nfs/dbraw/zinc/24/85/76/195248576.db2.gz FZJLHEJVKMNWON-UHFFFAOYSA-N 0 0 461.565 1.463 50 0 JDAARN CN1C(=O)Cc2cc(S(=O)(=O)CCC(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)ccc21 ZINC000020982321 195259366 /nfs/dbraw/zinc/25/93/66/195259366.db2.gz CDFPSOHTQSRSHT-UHFFFAOYSA-N 0 0 485.562 1.442 50 0 JDAARN CCS(=O)(=O)N1CC(=O)N(c2ccc(OC)cc2)[C@](C)(C(=O)NCc2ccc(F)cc2)C1 ZINC000020929898 195251228 /nfs/dbraw/zinc/25/12/28/195251228.db2.gz SHDJLWLMSCWEKL-QFIPXVFZSA-N 0 0 463.531 1.908 50 0 JDAARN O=C([C@H]1COc2cc(S(=O)(=O)N3CCN(Cc4ccccc4)CC3)ccc2O1)N1CCOCC1 ZINC000020989739 195261700 /nfs/dbraw/zinc/26/17/00/195261700.db2.gz NZNWEPJNZYKNAM-HSZRJFAPSA-N 0 0 487.578 1.192 50 0 JDAARN CC(=O)Nc1ccc(NS(=O)(=O)c2ccc3c(c2)OC[C@H](C(=O)N2CCOCC2)O3)cc1 ZINC000020989742 195261740 /nfs/dbraw/zinc/26/17/40/195261740.db2.gz GGHOVZXSAPXUID-HXUWFJFHSA-N 0 0 461.496 1.444 50 0 JDAARN CNC(=O)C1CCC(Cn2c(=O)c3sccc3n(Cc3cc(=O)n4ccccc4n3)c2=O)CC1 ZINC000020996594 195264462 /nfs/dbraw/zinc/26/44/62/195264462.db2.gz DFPJLKPZQSEHHG-UHFFFAOYSA-N 0 0 479.562 1.833 50 0 JDAARN CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N3CC(=O)Nc4ccccc43)cc2)CC1 ZINC000021009775 195266289 /nfs/dbraw/zinc/26/62/89/195266289.db2.gz HJNFHCTYWMFWMI-UHFFFAOYSA-N 0 0 472.523 1.748 50 0 JDAARN O=S(=O)(c1ccc2c(c1)OCCO2)N1CCN(c2ncnc3c2nnn3-c2ccccc2)CC1 ZINC000021010891 195266575 /nfs/dbraw/zinc/26/65/75/195266575.db2.gz OKAXEWUUHQWWBP-UHFFFAOYSA-N 0 0 479.522 1.493 50 0 JDAARN O=S(=O)(c1ccc2c(c1)OCCO2)N1CCN(c2ncnc3c2nnn3Cc2ccccc2)CC1 ZINC000021010906 195266702 /nfs/dbraw/zinc/26/67/02/195266702.db2.gz YPYRCQNPCKNHAB-UHFFFAOYSA-N 0 0 493.549 1.552 50 0 JDAARN CCn1nc(C)c(CCNC(=O)[C@@H]2Cc3cc(S(=O)(=O)N4CCCC4)ccc3N2C(C)=O)c1C ZINC000021022357 195267892 /nfs/dbraw/zinc/26/78/92/195267892.db2.gz VWHNJIGFALPWTJ-QHCPKHFHSA-N 0 0 487.626 1.941 50 0 JDAARN CCCSCCCNC(=O)[C@@H]1Cc2cc(S(=O)(=O)N3CCOCC3)ccc2N1C(C)=O ZINC000021023408 195268363 /nfs/dbraw/zinc/26/83/63/195268363.db2.gz RLLBJIRTXDCVND-FQEVSTJZSA-N 0 0 469.629 1.635 50 0 JDAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCOCC3)cc2C[C@H]1C(=O)N(C)Cc1ccccc1 ZINC000021023269 195268412 /nfs/dbraw/zinc/26/84/12/195268412.db2.gz JVSVFTGSLMKMCH-QFIPXVFZSA-N 0 0 457.552 1.644 50 0 JDAARN O=C(CCc1nnc2ccc(N3CCC4(CC3)OCCO4)nn21)N1CCN(Cc2ccccc2)CC1 ZINC000021024070 195268713 /nfs/dbraw/zinc/26/87/13/195268713.db2.gz TXVJGXNFYRQAPI-UHFFFAOYSA-N 0 0 491.596 1.745 50 0 JDAARN O=C([C@H]1CCCN(c2nnc(N3CCCC3=O)s2)C1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000021026487 195268980 /nfs/dbraw/zinc/26/89/80/195268980.db2.gz GHEHQNIXYDWXPC-SFHVURJKSA-N 0 0 498.609 1.954 50 0 JDAARN Cc1nn(CCC(=O)N2CCN(c3cccc(Cl)c3)CC2)c(C)c1S(=O)(=O)N1CCOCC1 ZINC000021029746 195269422 /nfs/dbraw/zinc/26/94/22/195269422.db2.gz KXJCHLOUXXJYBN-UHFFFAOYSA-N 0 0 496.033 1.913 50 0 JDAARN CCOC(=O)c1c(C)n(C)c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N2CCC3(CC2)OCCO3)C1 ZINC000021116522 195278756 /nfs/dbraw/zinc/27/87/56/195278756.db2.gz WAIQVWVQSOTAEO-SFHVURJKSA-N 0 0 497.614 1.585 50 0 JDAARN CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)OCc2nc(N)nc(Nc3ccccc3C)n2)cc1 ZINC000021234085 195292115 /nfs/dbraw/zinc/29/21/15/195292115.db2.gz SYSCPYJKUUFKIK-UHFFFAOYSA-N 0 0 499.553 1.876 50 0 JDAARN CC(C)CNC(=O)c1ccccc1NC(=O)COC(=O)CNS(=O)(=O)c1ccccc1F ZINC000021277469 195292988 /nfs/dbraw/zinc/29/29/88/195292988.db2.gz HXRTVXFLDPMUPK-UHFFFAOYSA-N 0 0 465.503 1.672 50 0 JDAARN COc1ccc(S(=O)(=O)N2CCC(C(=O)OCC(=O)N(C)Cc3ccco3)CC2)cc1 ZINC000021283553 195293071 /nfs/dbraw/zinc/29/30/71/195293071.db2.gz KOAMFGDIUPHUJY-UHFFFAOYSA-N 0 0 450.513 1.891 50 0 JDAARN CCN(C(=O)COC(=O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O)[C@H]1CCS(=O)(=O)C1 ZINC000021284923 195293359 /nfs/dbraw/zinc/29/33/59/195293359.db2.gz FLDWFQYMCIAZIZ-SFHVURJKSA-N 0 0 484.530 1.675 50 0 JDAARN CCN(CC)c1nc(O)c(CC(=O)Nc2cccc(C(=O)OCC(=O)NC[C@@H]3CCCO3)c2)s1 ZINC000021328822 195294439 /nfs/dbraw/zinc/29/44/39/195294439.db2.gz ZNTIFRFHRBXQRP-ZWKOTPCHSA-N 0 0 490.582 1.807 50 0 JDAARN CCN(CC)c1nc(O)c(CC(=O)Nc2cccc(C(=O)OCC(=O)NC[C@H]3CCCO3)c2)s1 ZINC000021328830 195294510 /nfs/dbraw/zinc/29/45/10/195294510.db2.gz ZNTIFRFHRBXQRP-QZTJIDSGSA-N 0 0 490.582 1.807 50 0 JDAARN CCN(CC)c1nc(O)c(CC(=O)Nc2cccc(C(=O)OCC(=O)NC[C@H]3CCCO3)c2)s1 ZINC000021328834 195294568 /nfs/dbraw/zinc/29/45/68/195294568.db2.gz ZNTIFRFHRBXQRP-MSOLQXFVSA-N 0 0 490.582 1.807 50 0 JDAARN C[C@@H](OC(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000021332602 195294679 /nfs/dbraw/zinc/29/46/79/195294679.db2.gz IRRVNYIKJYPOHI-CQSZACIVSA-N 0 0 492.506 1.468 50 0 JDAARN C[C@H](NC(=O)COC(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O)c1ccc2c(c1)OCCO2 ZINC000021338261 195295059 /nfs/dbraw/zinc/29/50/59/195295059.db2.gz IBPFYQANGMKIGC-NPGVVQFXSA-N 0 0 459.499 1.679 50 0 JDAARN C[C@H](NC(=O)COC(=O)CN1C(=O)N[C@]2(CCCC[C@H]2C)C1=O)c1ccc2c(c1)OCCO2 ZINC000021338260 195295085 /nfs/dbraw/zinc/29/50/85/195295085.db2.gz IBPFYQANGMKIGC-USGALAMMSA-N 0 0 459.499 1.679 50 0 JDAARN CCOC(=O)C1C(CN2CCN(S(=O)(=O)N(CC)CC)CC2)=NC(=O)N[C@@H]1c1ccccc1 ZINC000021399263 195301012 /nfs/dbraw/zinc/30/10/12/195301012.db2.gz HUUSSISSLBUSMJ-HXUWFJFHSA-N 0 0 479.603 1.062 50 0 JDAARN CCOC(=O)C1C(CN2CCN(S(=O)(=O)N(CC)CC)CC2)=NC(=O)N[C@H]1c1ccccc1 ZINC000021399268 195301052 /nfs/dbraw/zinc/30/10/52/195301052.db2.gz HUUSSISSLBUSMJ-FQEVSTJZSA-N 0 0 479.603 1.062 50 0 JDAARN C[C@@H](OC(=O)CN1CSCC1=O)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000021464698 195302045 /nfs/dbraw/zinc/30/20/45/195302045.db2.gz HIQYWLZWXYQVTL-CYBMUJFWSA-N 0 0 490.003 1.918 50 0 JDAARN CN1C(C(=O)N2CCN(c3ccc(F)cc3)CC2)=CC(c2ccc3c(c2)OCO3)=NS1(=O)=O ZINC000021526117 195304870 /nfs/dbraw/zinc/30/48/70/195304870.db2.gz GJLQUSXXMAHLFG-UHFFFAOYSA-N 0 0 472.498 1.766 50 0 JDAARN O=C([C@@H]1CCCN(S(=O)(=O)N2CCCCC2)C1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000021527779 195305967 /nfs/dbraw/zinc/30/59/67/195305967.db2.gz XPNNNHGMTCDAJD-HXUWFJFHSA-N 0 0 478.615 1.502 50 0 JDAARN COc1ccc(CNC(=O)c2ccc(NC(=O)CN3CC(=O)N4CCCC[C@H]4C3=O)cc2)cc1 ZINC000021528240 195306248 /nfs/dbraw/zinc/30/62/48/195306248.db2.gz DQBDQNATEYVXFN-NRFANRHFSA-N 0 0 464.522 1.787 50 0 JDAARN COc1ccc(CNC(=O)c2ccc(NC(=O)CN3CC(=O)N4CCCC[C@@H]4C3=O)cc2)cc1 ZINC000021528238 195306285 /nfs/dbraw/zinc/30/62/85/195306285.db2.gz DQBDQNATEYVXFN-OAQYLSRUSA-N 0 0 464.522 1.787 50 0 JDAARN COc1ccc(N2C(=O)CN(S(C)(=O)=O)C[C@@]2(C)C(=O)NC2CCCCCC2)c(OC)c1 ZINC000021528392 195306574 /nfs/dbraw/zinc/30/65/74/195306574.db2.gz XTABUZCYEXWQNA-QFIPXVFZSA-N 0 0 467.588 1.910 50 0 JDAARN CCS(=O)(=O)N1CC(=O)N(c2cc(OC)cc(OC)c2)[C@](C)(C(=O)NCc2ccccc2)C1 ZINC000021528684 195307183 /nfs/dbraw/zinc/30/71/83/195307183.db2.gz YUWKIMFMEXLKMQ-QHCPKHFHSA-N 0 0 475.567 1.777 50 0 JDAARN CCS(=O)(=O)N1CC(=O)N(Cc2ccccc2OC)[C@](C)(C(=O)NCc2ccc(F)cc2)C1 ZINC000021528915 195307388 /nfs/dbraw/zinc/30/73/88/195307388.db2.gz SLXRYMYSYJKAIL-QHCPKHFHSA-N 0 0 477.558 1.903 50 0 JDAARN C[C@@]1(C(=O)NCc2ccccc2)CN(S(C)(=O)=O)CC(=O)N1Cc1ccc2c(c1)OCO2 ZINC000021528781 195307440 /nfs/dbraw/zinc/30/74/40/195307440.db2.gz AUTSUPAIWYOFFP-QFIPXVFZSA-N 0 0 459.524 1.094 50 0 JDAARN CCOc1ccc(CN2C(=O)CN(S(C)(=O)=O)C[C@]2(C)C(=O)NCc2ccccc2)cc1OC ZINC000021528824 195307463 /nfs/dbraw/zinc/30/74/63/195307463.db2.gz MPYVSRMTITWPMP-XMMPIXPASA-N 0 0 489.594 1.773 50 0 JDAARN CCOc1ccc(CN2C(=O)CN(S(C)(=O)=O)C[C@@]2(C)C(=O)NCc2ccccc2)cc1 ZINC000021528829 195307479 /nfs/dbraw/zinc/30/74/79/195307479.db2.gz XUYQWONSWBNNRF-QHCPKHFHSA-N 0 0 459.568 1.764 50 0 JDAARN COc1ccccc1CNC(=O)[C@@]1(C)CN(S(=O)(=O)c2ccccc2)CC(=O)N1C1CC1 ZINC000021528881 195307482 /nfs/dbraw/zinc/30/74/82/195307482.db2.gz AWWUVHCGRZXFOS-HSZRJFAPSA-N 0 0 457.552 1.766 50 0 JDAARN COc1ccc(S(=O)(=O)N2CC(=O)N(C3CC3)[C@](C)(C(=O)NCc3ccc(F)cc3)C2)cc1 ZINC000021528894 195307511 /nfs/dbraw/zinc/30/75/11/195307511.db2.gz JOBZPVXWUSMGSL-QHCPKHFHSA-N 0 0 475.542 1.905 50 0 JDAARN COc1cccc(CN2C(=O)CN(S(C)(=O)=O)C[C@]2(C)C(=O)NCc2ccc(C)cc2)c1OC ZINC000021529166 195307895 /nfs/dbraw/zinc/30/78/95/195307895.db2.gz ZOQJJPVLXIMEAH-XMMPIXPASA-N 0 0 489.594 1.691 50 0 JDAARN CC1CCN(C(=O)CCc2nc(CN3CCN(S(=O)(=O)c4cccs4)CC3)no2)CC1 ZINC000021530753 195308853 /nfs/dbraw/zinc/30/88/53/195308853.db2.gz SQPQWRZEBCYKIV-UHFFFAOYSA-N 0 0 467.617 1.829 50 0 JDAARN CN1C(=O)c2cc(C(=O)NCCCN3CCCC3=O)nn2C[C@@]1(C)C(=O)NC1CCCCCC1 ZINC000021530855 195309108 /nfs/dbraw/zinc/30/91/08/195309108.db2.gz PZEOPWRIUOYXNI-DEOSSOPVSA-N 0 0 472.590 1.309 50 0 JDAARN COCCCNC(=O)c1ccc(Cn2nc(N3CCN(c4ccccc4)CC3)ccc2=O)o1 ZINC000021533459 195310189 /nfs/dbraw/zinc/31/01/89/195310189.db2.gz TUQIFODWWIDREU-UHFFFAOYSA-N 0 0 451.527 1.978 50 0 JDAARN CC1=C(C(=O)N2CCN(c3cccc(Cl)c3)CC2)C2(CCN(S(C)(=O)=O)CC2)OC1=O ZINC000021887493 195325259 /nfs/dbraw/zinc/32/52/59/195325259.db2.gz JGQXIWAPFXBLOP-UHFFFAOYSA-N 0 0 467.975 1.656 50 0 biogenic JDAARN CCOC(=O)[C@H]1CCCN(C(=O)CN(C)C(=O)c2cccc(S(=O)(=O)N(CC)CC)c2)C1 ZINC000058342265 195378151 /nfs/dbraw/zinc/37/81/51/195378151.db2.gz JVRQSPWPAIOQKE-SFHVURJKSA-N 0 0 467.588 1.591 50 0 JDAARN CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)C(=O)c2cccc(S(=O)(=O)N(CC)CC)c2)C1 ZINC000058342266 195378153 /nfs/dbraw/zinc/37/81/53/195378153.db2.gz JVRQSPWPAIOQKE-GOSISDBHSA-N 0 0 467.588 1.591 50 0 JDAARN 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CCOC(=O)C1=c2s/c(=C\c3cccs3)c(=O)n2C(N)=C(C(=O)OC)[C@@H]1c1cccs1 ZINC000002260619 554121828 /nfs/dbraw/zinc/12/18/28/554121828.db2.gz IWFYLVZMYCEJNQ-ZVHGMHCTSA-N 0 0 474.585 1.673 50 0 JDAARN CCOC(=O)C1=c2s/c(=C\c3cccs3)c(=O)n2C(N)=C(C(=O)OC)[C@H]1c1cccs1 ZINC000002260617 554121885 /nfs/dbraw/zinc/12/18/85/554121885.db2.gz IWFYLVZMYCEJNQ-QLKUMGTLSA-N 0 0 474.585 1.673 50 0 JDAARN COc1ccc(Cc2nn3c(nc2=O)s/c(=C2/c4ccccc4N(C)C2=O)c3=O)cc1OC ZINC000002263293 554123231 /nfs/dbraw/zinc/12/32/31/554123231.db2.gz ZFFXFYGWFHQZRX-HNENSFHCSA-N 0 0 462.487 1.014 50 0 JDAARN CCCc1nn(C)c2c1nc(-c1cc(S(=O)(=O)N3CCOCC3)ccc1OCC)[nH]c2=O ZINC000002275525 554128732 /nfs/dbraw/zinc/12/87/32/554128732.db2.gz HWKXZZXIDAFTCQ-UHFFFAOYSA-N 0 0 461.544 1.696 50 0 JDAARN COC(=O)C1=C(C)N=c2s/c(=C3/c4ccccc4N(C)C3=O)c(=O)n2[C@@H]1c1cccs1 ZINC000002280734 554130811 /nfs/dbraw/zinc/13/08/11/554130811.db2.gz FHDMCYCGTBFTEQ-FXBHHXAOSA-N 0 0 451.529 1.816 50 0 JDAARN COC(=O)C1=C(C)N=c2s/c(=C3/c4ccccc4N(C)C3=O)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000002281276 554131103 /nfs/dbraw/zinc/13/11/03/554131103.db2.gz VLEGGZAPOWNCBT-GOBJLOIFSA-N 0 0 475.526 1.763 50 0 JDAARN COCCCNC(=O)c1c(N)n(-c2ccc(S(N)(=O)=O)cc2)c2nc3ccccc3nc21 ZINC000002303221 554140449 /nfs/dbraw/zinc/14/04/49/554140449.db2.gz PZAYPBHJYDCTHM-UHFFFAOYSA-N 0 0 454.512 1.570 50 0 JDAARN CN1c2ccccc2/C(=c2/sc3n(c2=O)CN(c2cccc(Br)c2)CN=3)C1=O ZINC000002340341 554155604 /nfs/dbraw/zinc/15/56/04/554155604.db2.gz FWOIWHILZOLKRT-MSUUIHNZSA-N 0 0 455.337 1.903 50 0 JDAARN NC(=O)CN1c2ccccc2/C(=c2/sc3nc(-c4ccccc4Br)nn3c2=O)C1=O ZINC000002391606 554179630 /nfs/dbraw/zinc/17/96/30/554179630.db2.gz BGBVZXMGHTWJQK-NXVVXOECSA-N 0 0 482.319 1.330 50 0 JDAARN COc1cc(/C=c2\sc3nc(=O)c(Cc4ccc(F)cc4)nn3c2=O)cc(OC)c1OC ZINC000002397205 554183657 /nfs/dbraw/zinc/18/36/57/554183657.db2.gz PVVAISTWMRYPSS-WQRHYEAKSA-N 0 0 455.467 1.815 50 0 JDAARN CCOC(=O)C1=C(N)N2C(=O)[C@@H](C)SC2=C(C(=O)OC)[C@H]1c1cc(OC)c(OC)c(OC)c1 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CCN(C(=O)CN1C(=O)N[C@](C)(c2ccccc2Br)C1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000002635454 554256158 /nfs/dbraw/zinc/25/61/58/554256158.db2.gz WKFQCNSXNCXPNY-KZULUSFZSA-N 0 0 472.361 1.252 50 0 JDAARN CC(C)Cn1c(N)c(C(=O)COC(=O)c2cccc(I)c2)c(=O)n(C)c1=O ZINC000002635904 554256712 /nfs/dbraw/zinc/25/67/12/554256712.db2.gz LGQZQUPOYQBNRI-UHFFFAOYSA-N 0 0 485.278 1.430 50 0 JDAARN C[C@@]1(c2cccc(Br)c2)NC(=O)N(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)C1=O ZINC000002637265 554257474 /nfs/dbraw/zinc/25/74/74/554257474.db2.gz DSBZUVBDWLNKMU-SFHVURJKSA-N 0 0 481.328 1.502 50 0 JDAARN O=C(/C=C/c1ccc2c(c1)OCO2)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000002637835 554258387 /nfs/dbraw/zinc/25/83/87/554258387.db2.gz ZYGHBQVGSJSXOU-VQHVLOKHSA-N 0 0 458.492 1.505 50 0 JDAARN O=C(OCn1nnc2ccccc2c1=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl ZINC000002649067 554265621 /nfs/dbraw/zinc/26/56/21/554265621.db2.gz QAFASFYXMDTQIR-UHFFFAOYSA-N 0 0 464.887 1.280 50 0 JDAARN Cc1cc(=O)oc2cc(OCC(=O)OCC(=O)NCCc3ccc(S(N)(=O)=O)cc3)ccc12 ZINC000002654423 554270074 /nfs/dbraw/zinc/27/00/74/554270074.db2.gz YQVDRYICYOABNQ-UHFFFAOYSA-N 0 0 474.491 1.030 50 0 JDAARN CC(C)Cn1c(S[C@@H](C)C(=O)NC(N)=O)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000002661258 554274819 /nfs/dbraw/zinc/27/48/19/554274819.db2.gz MZJLWABMBHXDMI-AWEZNQCLSA-N 0 0 496.615 1.298 50 0 JDAARN Nn1c(SCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)nnc1-c1ccc(Cl)cc1 ZINC000002664626 554277679 /nfs/dbraw/zinc/27/76/79/554277679.db2.gz ZMPLBBKHLBIREO-UHFFFAOYSA-N 0 0 493.014 1.938 50 0 JDAARN CC[C@@H](C)n1c(S[C@@H](C)C(=O)NC(N)=O)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000002665151 554277962 /nfs/dbraw/zinc/27/79/62/554277962.db2.gz HNMALRLLDYUYHB-KGLIPLIRSA-N 0 0 496.615 1.613 50 0 JDAARN O=C(c1cccc(NC2=N[C@@H]3CS(=O)(=O)C[C@@H]3S2)c1)N1CCN(c2ccccn2)CC1 ZINC000002688616 554284535 /nfs/dbraw/zinc/28/45/35/554284535.db2.gz XWYPWHYWDQRTQZ-MSOLQXFVSA-N 0 0 457.581 1.724 50 0 JDAARN COc1ccc(CCNC(=O)c2nnn(CC(=O)Nc3ccc4c(c3)OCCO4)c2N)cc1OC ZINC000002689104 554284812 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555845673 /nfs/dbraw/zinc/84/56/73/555845673.db2.gz HAWGRLFVADEMKL-AXSVAFJXSA-N 0 0 491.625 1.513 50 0 biogenic JDAARN COc1cc(=O)n2c(c1C(=O)NCc1nonc1C)CCN(C(=O)c1cc(C)cc(C)c1)CC2 ZINC000011871167 555846650 /nfs/dbraw/zinc/84/66/50/555846650.db2.gz FDXQNNSEZABZGD-UHFFFAOYSA-N 0 0 465.510 1.794 50 0 JDAARN C[C@@H](OC(=O)[C@H]1CC(=O)N(c2ccccc2F)C1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000021131219 555849826 /nfs/dbraw/zinc/84/98/26/555849826.db2.gz FDNBFQQDCVKWRW-CABCVRRESA-N 0 0 477.514 1.999 50 0 JDAARN Cn1c(=O)c2c(SCC(=O)N3CCOCC3)nc(-c3ccccc3Cl)nc2n(C)c1=O ZINC000011883422 555851749 /nfs/dbraw/zinc/85/17/49/555851749.db2.gz IWDWQGCGMDHUDD-UHFFFAOYSA-N 0 0 461.931 1.299 50 0 JDAARN Cc1cccc(N2CCN(S(=O)(=O)c3ccc(N4C(=O)[C@@H](C)CS4(=O)=O)cc3)CC2)c1 ZINC000011904052 555852365 /nfs/dbraw/zinc/85/23/65/555852365.db2.gz QBOIMRUTNPJFFT-KRWDZBQOSA-N 0 0 463.581 1.818 50 0 JDAARN COc1ccc(OCCNS(=O)(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2C)cc1 ZINC000011904075 555852403 /nfs/dbraw/zinc/85/24/03/555852403.db2.gz ISARUYHGJLTHFC-UHFFFAOYSA-N 0 0 454.526 1.427 50 0 JDAARN O=C1CCS(=O)(=O)N1c1ccc(S(=O)(=O)Nc2cccc(N3CCCS3(=O)=O)c2)cc1 ZINC000011904105 555852532 /nfs/dbraw/zinc/85/25/32/555852532.db2.gz YGZXDVHIRWIYHM-UHFFFAOYSA-N 0 0 485.565 1.094 50 0 JDAARN O=C(CN1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000021582238 555852892 /nfs/dbraw/zinc/85/28/92/555852892.db2.gz PXTCJTKLNMMMCZ-OFNKIYASSA-N 0 0 499.589 1.191 50 0 JDAARN COc1ccc(CCNS(=O)(=O)c2cc(N3C(=O)CCS3(=O)=O)ccc2OC)cc1 ZINC000011906115 555853759 /nfs/dbraw/zinc/85/37/59/555853759.db2.gz PLOUKSJNBLYJRB-UHFFFAOYSA-N 0 0 454.526 1.291 50 0 JDAARN Cc1cccc(N2CCN(S(=O)(=O)c3ccc(N4C(=O)CCS4(=O)=O)cc3)CC2)c1C ZINC000011907003 555854940 /nfs/dbraw/zinc/85/49/40/555854940.db2.gz WWTGAVFBYRJLRP-UHFFFAOYSA-N 0 0 463.581 1.881 50 0 JDAARN O=C1CCS(=O)(=O)N1c1ccc(S(=O)(=O)N2CCN(c3ccccc3F)CC2)cc1 ZINC000011907007 555854971 /nfs/dbraw/zinc/85/49/71/555854971.db2.gz PHBBMBXYNAIRGI-UHFFFAOYSA-N 0 0 453.517 1.403 50 0 JDAARN O=C(Cn1c2cccnc2n(Cc2ccc(C(=O)N3CCOCC3)cc2)c(=O)c1=O)Nc1ccccc1 ZINC000021780118 555855989 /nfs/dbraw/zinc/85/59/89/555855989.db2.gz IPNBNVVVMAQOJV-UHFFFAOYSA-N 0 0 499.527 1.718 50 0 JDAARN CN(C)S(=O)(=O)c1ccc(OCCN2C(=O)N[C@@](C)(c3ccc4c(c3)OCCO4)C2=O)cc1 ZINC000021976128 555858528 /nfs/dbraw/zinc/85/85/28/555858528.db2.gz XVSWNKTXJPLORG-QFIPXVFZSA-N 0 0 475.523 1.554 50 0 JDAARN CN(C(=O)COC(=O)CCC(=O)c1ccc(Cl)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000021976043 555858545 /nfs/dbraw/zinc/85/85/45/555858545.db2.gz JBGNOPQJPVATAN-UHFFFAOYSA-N 0 0 498.923 1.990 50 0 JDAARN CCN(C(=O)COC(=O)CCOc1ccccc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000021989041 555859874 /nfs/dbraw/zinc/85/98/74/555859874.db2.gz ZXUJBWMSZCPUAG-UHFFFAOYSA-N 0 0 466.494 1.532 50 0 JDAARN O=C(CN1C(=O)C(=O)N(Cc2ccccc2)C1=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000022012328 555861567 /nfs/dbraw/zinc/86/15/67/555861567.db2.gz GNROMAGRSKBJDG-UHFFFAOYSA-N 0 0 470.507 1.401 50 0 JDAARN Cc1nnc(NC(=O)CSc2nnc(CN(c3ccccc3)S(C)(=O)=O)n2C)s1 ZINC000015019752 555862385 /nfs/dbraw/zinc/86/23/85/555862385.db2.gz NXFNXLHSVNCLNN-UHFFFAOYSA-N 0 0 453.575 1.672 50 0 JDAARN Cn1cc(S(=O)(=O)N2CCC(C(=O)Nc3nnc(-c4ccccc4)s3)CC2)cc1C(N)=O ZINC000022020515 555862767 /nfs/dbraw/zinc/86/27/67/555862767.db2.gz FWGFUZBLIKRZIV-UHFFFAOYSA-N 0 0 474.568 1.682 50 0 JDAARN COCCn1cnnc1SCC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000022037818 555865272 /nfs/dbraw/zinc/86/52/72/555865272.db2.gz NHMZZGMURZSWMM-UHFFFAOYSA-N 0 0 475.980 1.330 50 0 JDAARN Cc1cc(N2CCN([C@@H](C)C(=O)NCCc3ccc(S(N)(=O)=O)cc3)CC2)nc(C(C)C)n1 ZINC000015033116 555865353 /nfs/dbraw/zinc/86/53/53/555865353.db2.gz IHQIJLOJJSZVDJ-SFHVURJKSA-N 0 0 474.631 1.425 50 0 JDAARN O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1nn(-c2ccc(F)cc2)ccc1=O ZINC000011915112 555866261 /nfs/dbraw/zinc/86/62/61/555866261.db2.gz QCDRMVNPSDIPMP-UHFFFAOYSA-N 0 0 458.471 1.645 50 0 JDAARN NC(=O)CN1c2ccccc2/C(=c2/sc3nc(-c4cccc5ccccc54)nn3c2=O)C1=O ZINC000011915387 555866522 /nfs/dbraw/zinc/86/65/22/555866522.db2.gz RPVUWOAGEARREN-VXPUYCOJSA-N 0 0 453.483 1.721 50 0 JDAARN CCN(CC)C(=S)SCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000022067072 555869311 /nfs/dbraw/zinc/86/93/11/555869311.db2.gz QKPPKKQKWXAISN-UHFFFAOYSA-N 0 0 473.642 1.651 50 0 JDAARN O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCN(CCOc2ccccc2)CC1 ZINC000022094943 555873547 /nfs/dbraw/zinc/87/35/47/555873547.db2.gz UXOSTMKMCBBYBH-UHFFFAOYSA-N 0 0 487.622 1.863 50 0 JDAARN CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N1CCN(CCOc3ccccc3)CC1)n2C ZINC000022096114 555873728 /nfs/dbraw/zinc/87/37/28/555873728.db2.gz KYJPEXJWEISLAV-UHFFFAOYSA-N 0 0 499.637 1.979 50 0 JDAARN O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccccc1C(=O)NC1CC1 ZINC000015084526 555874471 /nfs/dbraw/zinc/87/44/71/555874471.db2.gz SIFUHLTXBSROQX-UHFFFAOYSA-N 0 0 459.524 1.617 50 0 JDAARN O=C(Cc1cccc(C(F)(F)F)c1)N1CCc2nnc(CNC(=O)[C@@H]3CCOC3)n2CC1 ZINC000011982183 555876894 /nfs/dbraw/zinc/87/68/94/555876894.db2.gz MLSNZUSZFVYCHU-OAHLLOKOSA-N 0 0 451.449 1.577 50 0 JDAARN CCCN1c2nc3c(c(=O)n(C)c(=O)n3C)n2CC2=C(C1=O)[C@@H](c1ccc(C)cc1)NC(=O)N2C ZINC000015106144 555877045 /nfs/dbraw/zinc/87/70/45/555877045.db2.gz VGKYMRNBMVHXNK-QGZVFWFLSA-N 0 0 477.525 1.149 50 0 JDAARN COCCN(C(=O)COC(=O)C=Cc1cccs1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000022116288 555879404 /nfs/dbraw/zinc/87/94/04/555879404.db2.gz ILEGUZDQIYSMSE-MDZDMXLPSA-N 0 0 484.534 1.465 50 0 JDAARN CC[C@@H](C)N(C(=O)CSc1nnc(COc2ccccc2F)n1N)[C@H]1CCS(=O)(=O)C1 ZINC000022122656 555879467 /nfs/dbraw/zinc/87/94/67/555879467.db2.gz JJIGVPFUISSPBI-KGLIPLIRSA-N 0 0 471.580 1.616 50 0 JDAARN Cc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000011997749 555879717 /nfs/dbraw/zinc/87/97/17/555879717.db2.gz XEBAOGBHMWATHR-SFHVURJKSA-N 0 0 451.570 1.643 50 0 JDAARN CN(C)[C@H](CNS(=O)(=O)c1ccc(N2C(=O)C(C)(C)CS2(=O)=O)cc1)c1ccccc1 ZINC000011997964 555880378 /nfs/dbraw/zinc/88/03/78/555880378.db2.gz XCJCRNZBFJCFHH-LJQANCHMSA-N 0 0 465.597 1.970 50 0 JDAARN COc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000011997928 555880453 /nfs/dbraw/zinc/88/04/53/555880453.db2.gz LTVJEJQJJOWJQJ-INIZCTEOSA-N 0 0 483.568 1.470 50 0 JDAARN CCOc1ccc([C@@H](CNS(=O)(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2)N(C)C)cc1 ZINC000011998503 555881086 /nfs/dbraw/zinc/88/10/86/555881086.db2.gz UGPXWKXKZZITHF-HXUWFJFHSA-N 0 0 481.596 1.733 50 0 JDAARN CCOc1ccc([C@H](CNS(=O)(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2)N(C)C)cc1 ZINC000011998506 555881101 /nfs/dbraw/zinc/88/11/01/555881101.db2.gz UGPXWKXKZZITHF-FQEVSTJZSA-N 0 0 481.596 1.733 50 0 JDAARN CCOc1ccccc1NC(=O)[C@H](OC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccccc1 ZINC000015181543 555882342 /nfs/dbraw/zinc/88/23/42/555882342.db2.gz NJTXCIHCASCBRH-OAQYLSRUSA-N 0 0 491.504 1.756 50 0 JDAARN O=C(c1ccco1)N1CCN(C(=O)c2ccc(Cl)c(N3C(=O)CCS3(=O)=O)c2)CC1 ZINC000012003324 555882721 /nfs/dbraw/zinc/88/27/21/555882721.db2.gz PDDVBBAACNAXIP-UHFFFAOYSA-N 0 0 451.888 1.598 50 0 JDAARN Cn1nnnc1SCC(=O)Nc1ccc(C(=O)N2CCN(Cc3ccsc3)CC2)cc1 ZINC000022186601 555882815 /nfs/dbraw/zinc/88/28/15/555882815.db2.gz LZLXSNKFNJEXSS-UHFFFAOYSA-N 0 0 457.585 1.960 50 0 JDAARN C[C@H](OC(=O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl)C(=O)N1CCOCC1 ZINC000015185777 555882841 /nfs/dbraw/zinc/88/28/41/555882841.db2.gz XUJGASRQQQFSAO-LBPRGKRZSA-N 0 0 481.354 1.418 50 0 JDAARN COc1ccc(N2CCCCS2(=O)=O)cc1S(=O)(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000012016144 555884579 /nfs/dbraw/zinc/88/45/79/555884579.db2.gz FHQJABBHCCJARK-UHFFFAOYSA-N 0 0 483.568 1.365 50 0 JDAARN COc1ccc(CCNC(=O)c2cc(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)ccc2F)cc1 ZINC000012031167 555886865 /nfs/dbraw/zinc/88/68/65/555886865.db2.gz UGBUZVZMHREIBP-QGZVFWFLSA-N 0 0 455.529 1.768 50 0 JDAARN CC(=O)Nc1cccc(NC(=O)c2cc(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)ccc2F)c1 ZINC000012031420 555886898 /nfs/dbraw/zinc/88/68/98/555886898.db2.gz WAFSZNTYYBRYLZ-INIZCTEOSA-N 0 0 454.501 1.997 50 0 JDAARN COc1cc(=O)n2c(c1C(=O)NCc1ccc3c(c1)OCO3)CCN(C(=O)C(=O)CC(C)C)CC2 ZINC000012040851 555893487 /nfs/dbraw/zinc/89/34/87/555893487.db2.gz ZLUWAZRGUJQVKO-UHFFFAOYSA-N 0 0 483.521 1.516 50 0 JDAARN Cc1sc2nc(CN3CCN(S(=O)(=O)c4ccc5c(c4)OCCO5)CC3)[nH]c(=O)c2c1C ZINC000022245227 555896175 /nfs/dbraw/zinc/89/61/75/555896175.db2.gz CYNDWRAZEMTMAJ-UHFFFAOYSA-N 0 0 476.580 1.879 50 0 JDAARN CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)c1 ZINC000015316267 555896631 /nfs/dbraw/zinc/89/66/31/555896631.db2.gz FODRFYIRRSXOFL-UGKGYDQZSA-N 0 0 496.655 1.946 50 0 JDAARN CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)c1 ZINC000015316269 555896664 /nfs/dbraw/zinc/89/66/64/555896664.db2.gz FODRFYIRRSXOFL-KNQAVFIVSA-N 0 0 496.655 1.946 50 0 JDAARN Cn1c2ncn(CC(=O)Nc3nc4c(s3)CN(Cc3ccccc3)CC4)c2c(=O)n(C)c1=O ZINC000015317955 555896940 /nfs/dbraw/zinc/89/69/40/555896940.db2.gz GYESEIJWEQTIBZ-UHFFFAOYSA-N 0 0 465.539 1.087 50 0 JDAARN CCCCn1c(N)c(N(CCOC)C(=O)c2ccc(OC[C@@H]3CCCO3)cc2)c(=O)[nH]c1=O ZINC000015323135 555898787 /nfs/dbraw/zinc/89/87/87/555898787.db2.gz KATCZTPPVCEDMN-SFHVURJKSA-N 0 0 460.531 1.770 50 0 JDAARN O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000015385334 555901953 /nfs/dbraw/zinc/90/19/53/555901953.db2.gz RPXOVBBDURMQAI-ROUUACIJSA-N 0 0 451.520 1.224 50 0 JDAARN Cc1ccc(CNC(=O)C(=O)NC[C@H]2OCCN2S(=O)(=O)c2cc(F)ccc2F)cc1 ZINC000012080677 555903832 /nfs/dbraw/zinc/90/38/32/555903832.db2.gz CQTQRGGJXTVMTN-GOSISDBHSA-N 0 0 453.467 1.053 50 0 JDAARN COc1ccc(CNC(=O)C(=O)NC[C@@H]2OCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000012080712 555903852 /nfs/dbraw/zinc/90/38/52/555903852.db2.gz LGTVOBFCOJUOFZ-SFHVURJKSA-N 0 0 467.931 1.128 50 0 JDAARN COc1ccc(CCNC(=O)C(=O)NC[C@H]2OCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000012080721 555903857 /nfs/dbraw/zinc/90/38/57/555903857.db2.gz JGMBCVRGXQAWMI-LJQANCHMSA-N 0 0 481.958 1.171 50 0 JDAARN O=C(NCc1ccccc1Cl)C(=O)NC[C@@H]1OCCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000012080759 555904183 /nfs/dbraw/zinc/90/41/83/555904183.db2.gz IQXDLFIKOUGEMF-KRWDZBQOSA-N 0 0 472.350 1.773 50 0 JDAARN CCOC(=O)C1=C(CN2CCc3cc(S(=O)(=O)N(C)C)ccc32)NC(=O)N[C@@H]1c1ccco1 ZINC000015403078 555904264 /nfs/dbraw/zinc/90/42/64/555904264.db2.gz BJZHQHUXONXBIE-HXUWFJFHSA-N 0 0 474.539 1.764 50 0 JDAARN COc1c2c(cc3c1[C@@H](c1nnnn1-c1ccccc1C(=O)N1CCN(C)CC1)N(C)CC3)OCO2 ZINC000015414930 555906458 /nfs/dbraw/zinc/90/64/58/555906458.db2.gz KJCFSLVPOBZZQK-NRFANRHFSA-N 0 0 491.552 1.365 50 0 biogenic JDAARN COc1c2c(cc3c1[C@H](c1nnnn1-c1ccc(C(=O)NC[C@@H](C)O)cc1)N(C)CC3)OCO2 ZINC000015414797 555906569 /nfs/dbraw/zinc/90/65/69/555906569.db2.gz HRHFNGMIFBZEGJ-BFUOFWGJSA-N 0 0 466.498 1.088 50 0 biogenic JDAARN COc1c2c(cc3c1[C@@H](c1nnnn1-c1cccc(C(=O)NC[C@@H]4CCCO4)c1)N(C)CC3)OCO2 ZINC000015415470 555907328 /nfs/dbraw/zinc/90/73/28/555907328.db2.gz HQSWFRGAVZPWIV-RXVVDRJESA-N 0 0 492.536 1.886 50 0 biogenic JDAARN COc1c2c(cc3c1[C@H](c1nnnn1-c1cccc(C(=O)NC[C@@H]4CCCO4)c1)N(C)CC3)OCO2 ZINC000015415467 555907384 /nfs/dbraw/zinc/90/73/84/555907384.db2.gz HQSWFRGAVZPWIV-GHTZIAJQSA-N 0 0 492.536 1.886 50 0 biogenic JDAARN CN(CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1)C[C@@H]1COc2ccccc2O1 ZINC000015447103 555909439 /nfs/dbraw/zinc/90/94/39/555909439.db2.gz ZYMOEACHHQWFGG-HXUWFJFHSA-N 0 0 459.568 1.432 50 0 JDAARN CCN(CC(=O)Nc1ccc2c(c1)OCCO2)CC(=O)NN1C(=O)NC2(CCC(C)CC2)C1=O ZINC000015452630 555909919 /nfs/dbraw/zinc/90/99/19/555909919.db2.gz DPBRXJDOKUXECY-UHFFFAOYSA-N 0 0 473.530 1.250 50 0 JDAARN O=C(C[C@H]1C(=O)NCCN1C(=S)NC(=O)c1ccccc1Br)OC[C@@H]1CCCO1 ZINC000012136992 555914195 /nfs/dbraw/zinc/91/41/95/555914195.db2.gz BRPRZYLVGDYYOD-WFASDCNBSA-N 0 0 484.372 1.377 50 0 JDAARN CNS(=O)(=O)c1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)c1 ZINC000015557523 555915465 /nfs/dbraw/zinc/91/54/65/555915465.db2.gz CJFAUSMNPNALFQ-UHFFFAOYSA-N 0 0 477.608 1.620 50 0 JDAARN Cc1cc(=O)c(C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)nn1-c1ccccc1F ZINC000015579018 555916307 /nfs/dbraw/zinc/91/63/07/555916307.db2.gz ATHGSLAGEIUORV-UHFFFAOYSA-N 0 0 472.498 1.953 50 0 JDAARN CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)NN2C(=O)N[C@@](C)(c3ccccc3)C2=O)cc1 ZINC000015583645 555916927 /nfs/dbraw/zinc/91/69/27/555916927.db2.gz PWLHICGXYQUHNT-QHCPKHFHSA-N 0 0 486.550 1.788 50 0 JDAARN O=C(NCc1ccc(F)cc1)C(=O)NC[C@@H]1OCCCN1S(=O)(=O)c1ccc(F)cc1 ZINC000012140190 555917058 /nfs/dbraw/zinc/91/70/58/555917058.db2.gz SZBHYRCSZONFCX-SFHVURJKSA-N 0 0 453.467 1.135 50 0 JDAARN O=C(c1ccc(Cl)c(S(=O)(=O)NCc2ccccc2)c1)N1CCC2(CC1)NC(=O)NC2=O ZINC000022281695 555917082 /nfs/dbraw/zinc/91/70/82/555917082.db2.gz ULOCBYMTMDEOSK-UHFFFAOYSA-N 0 0 476.942 1.633 50 0 JDAARN COc1ccccc1CNC(=O)C(=O)NC[C@H]1OCCCN1S(=O)(=O)c1ccc(C)cc1 ZINC000012140200 555917237 /nfs/dbraw/zinc/91/72/37/555917237.db2.gz MLTKESQYQPWAMX-HXUWFJFHSA-N 0 0 461.540 1.173 50 0 JDAARN CCOc1ccc(CC(=O)N2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cn3)CC2)cc1 ZINC000022282807 555917254 /nfs/dbraw/zinc/91/72/54/555917254.db2.gz NRNGRAQCIKRZNM-UHFFFAOYSA-N 0 0 474.583 1.393 50 0 JDAARN O=C(NCCc1c[nH]c2ccccc12)C(=O)NC[C@@H]1OCCCN1S(=O)(=O)c1cccs1 ZINC000012140282 555917566 /nfs/dbraw/zinc/91/75/66/555917566.db2.gz DHSRKHRNYPKJHO-SFHVURJKSA-N 0 0 476.580 1.442 50 0 JDAARN CCN(C(=O)CSc1nnc(NCCOC)s1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000022301780 555918807 /nfs/dbraw/zinc/91/88/07/555918807.db2.gz KFSUDFJXZXCYNA-UHFFFAOYSA-N 0 0 491.599 1.222 50 0 JDAARN CC(C)CN(C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000015611187 555918880 /nfs/dbraw/zinc/91/88/80/555918880.db2.gz OKGLNLJLZZKZIX-FUHWJXTLSA-N 0 0 460.593 1.898 50 0 JDAARN CSCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)NCc1ccc(S(N)(=O)=O)cc1 ZINC000015613540 555919259 /nfs/dbraw/zinc/91/92/59/555919259.db2.gz FAYCRQUBEQZGJG-KRWDZBQOSA-N 0 0 457.599 1.050 50 0 JDAARN CSCC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NCc1ccc(S(N)(=O)=O)cc1 ZINC000015613538 555919262 /nfs/dbraw/zinc/91/92/62/555919262.db2.gz FAYCRQUBEQZGJG-QGZVFWFLSA-N 0 0 457.599 1.050 50 0 JDAARN Cc1cc(C)c(NC(=O)CNC(=O)c2cccc(S(=O)(=O)N3CCN(C)CC3)c2)c(C)c1 ZINC000015621059 555920042 /nfs/dbraw/zinc/92/00/42/555920042.db2.gz PAXUZTJOLLFHNK-UHFFFAOYSA-N 0 0 458.584 1.916 50 0 JDAARN COC(=O)C1=C(OC(=O)c2ccc(CN3CCOCC3)cc2)c2ccccc2S(=O)(=O)N1C ZINC000015669516 555924317 /nfs/dbraw/zinc/92/43/17/555924317.db2.gz AXUSCGLRQKEOBT-UHFFFAOYSA-N 0 0 472.519 1.852 50 0 JDAARN Cc1nc(SCC(=O)N2CCN(Cc3ccccc3)CC2)c2c(=O)n(C)c(=O)n(CC(C)C)c2n1 ZINC000022357542 555924838 /nfs/dbraw/zinc/92/48/38/555924838.db2.gz GHDQSQQQQVEMFN-UHFFFAOYSA-N 0 0 496.637 1.891 50 0 JDAARN CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NC[C@H](c2cccs2)N2CCOCC2)cc1 ZINC000022358493 555925472 /nfs/dbraw/zinc/92/54/72/555925472.db2.gz BGAOXWXBKLHIQI-LJQANCHMSA-N 0 0 480.612 1.517 50 0 JDAARN COC(=O)c1c(OC(C)C)cc(=O)n2c1CCN(C(=O)[C@@H]1CC(=O)N(Cc3ccccn3)C1)CC2 ZINC000012152776 555926993 /nfs/dbraw/zinc/92/69/93/555926993.db2.gz NDUVUEUEOVTMPA-QGZVFWFLSA-N 0 0 482.537 1.251 50 0 JDAARN CN(C[C@@H]1COCCO1)C(=O)C[C@@]1(c2cccc(F)c2)CC(=O)N(Cc2cccnc2)C1=O ZINC000012152949 555927307 /nfs/dbraw/zinc/92/73/07/555927307.db2.gz ACNAWVLMVWPFJY-YKSBVNFPSA-N 0 0 455.486 1.682 50 0 JDAARN O=C(Nc1nc(-c2ccc3c(c2)OCCO3)cs1)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000022403535 555928907 /nfs/dbraw/zinc/92/89/07/555928907.db2.gz GYVXRTNIHKGDBZ-CYBMUJFWSA-N 0 0 476.536 1.685 50 0 JDAARN CN(C)c1ccc(NC(=O)CCc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2C)cn1 ZINC000022395860 555928941 /nfs/dbraw/zinc/92/89/41/555928941.db2.gz CRBISHOZLWPCDS-UHFFFAOYSA-N 0 0 472.571 1.627 50 0 JDAARN C[C@@H](Sc1nc(CN2CCOCC2)nc2ccccc21)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000022405912 555929208 /nfs/dbraw/zinc/92/92/08/555929208.db2.gz XEWZLJUNHALKTO-CVEARBPZSA-N 0 0 464.613 1.588 50 0 JDAARN O=C(NCCCS(=O)(=O)N1CCN(c2ccccn2)CC1)c1cc2ccccc2oc1=O ZINC000012163057 555931585 /nfs/dbraw/zinc/93/15/85/555931585.db2.gz SYADEMLZRXLCHM-UHFFFAOYSA-N 0 0 456.524 1.460 50 0 JDAARN CC1(C)Cc2cccc(OCC(=O)NCCCS(=O)(=O)N3CCN(c4ccccn4)CC3)c2O1 ZINC000012163384 555931888 /nfs/dbraw/zinc/93/18/88/555931888.db2.gz 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O=C(CN1C(=O)CSc2ccc(S(=O)(=O)N3CCOCC3)cc21)Nc1ccccc1F ZINC000015678514 555943878 /nfs/dbraw/zinc/94/38/78/555943878.db2.gz BWPIZLHTUPYMIQ-UHFFFAOYSA-N 0 0 465.528 1.924 50 0 JDAARN O=C(CN1C(=O)CSc2ccc(S(=O)(=O)N3CCOCC3)cc21)N1CCc2ccccc21 ZINC000015678515 555943887 /nfs/dbraw/zinc/94/38/87/555943887.db2.gz FUTCIOVMTBUGJH-UHFFFAOYSA-N 0 0 473.576 1.736 50 0 JDAARN O=C(NC12CC3CC(CC(C3)C1)C2)c1cccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)c1 ZINC000012226905 555944362 /nfs/dbraw/zinc/94/43/62/555944362.db2.gz DOBLOOZJNCHODZ-CARYKQCGSA-N 0 0 452.598 1.851 50 0 JDAARN O=C(CCc1nnc2ccc(N3CCOCC3)nn21)Nc1ccc(CN2CCOCC2)cc1 ZINC000015678943 555944577 /nfs/dbraw/zinc/94/45/77/555944577.db2.gz DWTMGPARMKINTR-UHFFFAOYSA-N 0 0 451.531 1.364 50 0 JDAARN COc1ccc(F)c(C[C@@]2(CCC(=O)N3CCN(Cc4nccn4C)CC3)CCC(=O)N2)c1 ZINC000012240668 555945273 /nfs/dbraw/zinc/94/52/73/555945273.db2.gz FOYPGCVZOLWAIV-DEOSSOPVSA-N 0 0 457.550 1.884 50 0 JDAARN Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)CSc2ncn(-c3ccccc3)n2)CC1 ZINC000012270855 555947546 /nfs/dbraw/zinc/94/75/46/555947546.db2.gz JRTCMOFSMKKSCM-UHFFFAOYSA-N 0 0 462.557 1.497 50 0 JDAARN COc1ccc(N2C[C@@H](C(=O)N3CCC(C(=O)N4CCC(C(N)=O)CC4)CC3)CC2=O)cc1 ZINC000012321454 555951645 /nfs/dbraw/zinc/95/16/45/555951645.db2.gz HDVFXXBFMSHOHZ-SFHVURJKSA-N 0 0 456.543 1.011 50 0 JDAARN NC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@@H](C(=O)Nc2ccc(Cl)c(Cl)c2)CC(=O)N3)CC1 ZINC000012322029 555952131 /nfs/dbraw/zinc/95/21/31/555952131.db2.gz WSNYEYPIPBCDRN-NSHDSACASA-N 0 0 479.324 1.843 50 0 JDAARN Cn1cc(S(=O)(=O)NCc2ccccc2-c2ccc(CN3CCCC3=O)cc2)c(=O)n(C)c1=O ZINC000022845196 555956531 /nfs/dbraw/zinc/95/65/31/555956531.db2.gz CMNWEHVMYOLPCO-UHFFFAOYSA-N 0 0 482.562 1.352 50 0 JDAARN O=C(COc1ccc(Cl)cc1S(=O)(=O)N1CC(=O)Nc2ccccc21)N1CCOCC1 ZINC000012360072 555956905 /nfs/dbraw/zinc/95/69/05/555956905.db2.gz KGFJTESHEKHSRK-UHFFFAOYSA-N 0 0 465.915 1.725 50 0 JDAARN COCCNC(=O)C(=O)NC[C@H](c1ccc2c(c1)OCO2)N1CCN(c2ccc(F)cc2)CC1 ZINC000022851433 555957582 /nfs/dbraw/zinc/95/75/82/555957582.db2.gz NQNFYRMTYFVYIW-HXUWFJFHSA-N 0 0 472.517 1.297 50 0 JDAARN O=C(NCCCO)C(=O)NC[C@H](c1ccc2c(c1)OCO2)N1CCN(c2ccc(F)cc2)CC1 ZINC000022851445 555957618 /nfs/dbraw/zinc/95/76/18/555957618.db2.gz JDEUEQNIHSBUST-HXUWFJFHSA-N 0 0 472.517 1.033 50 0 JDAARN O=C(NC[C@@H](c1ccc2c(c1)OCO2)N1CCN(c2ccccc2F)CC1)C(=O)NC1CC1 ZINC000022851615 555958317 /nfs/dbraw/zinc/95/83/17/555958317.db2.gz PCDODIQVWFHNCJ-FQEVSTJZSA-N 0 0 454.502 1.813 50 0 JDAARN CN1C(=O)c2cc(C(=O)N3CCC4(CC3)OCCO4)nn2C[C@]1(C)C(=O)NC1CCCCCC1 ZINC000015723756 555958753 /nfs/dbraw/zinc/95/87/53/555958753.db2.gz CQYAOJPPFFUSHI-HSZRJFAPSA-N 0 0 473.574 1.546 50 0 biogenic JDAARN COc1cc(CCNC(C)=O)c(NC(=O)c2ccc3c(c2)c(=O)n(C)c(=O)n3C)cc1OC ZINC000012364294 555959242 /nfs/dbraw/zinc/95/92/42/555959242.db2.gz OUSLTFYSQNFGRF-UHFFFAOYSA-N 0 0 454.483 1.185 50 0 JDAARN COc1ccc(CN(C)C(=O)COC(=O)c2ccc(CCNS(C)(=O)=O)cc2)cc1OC ZINC000022886862 555963455 /nfs/dbraw/zinc/96/34/55/555963455.db2.gz ITMMKSFIURKTSC-UHFFFAOYSA-N 0 0 464.540 1.611 50 0 JDAARN Nc1cc(=O)nc(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)n1CCc1ccccc1 ZINC000012376350 555963855 /nfs/dbraw/zinc/96/38/55/555963855.db2.gz JOEHQQAQCPFDQC-UHFFFAOYSA-N 0 0 459.553 1.446 50 0 JDAARN NC(=O)c1nn(-c2ccccc2)nc1NC(=O)CSc1nnnn1-c1ccccc1Cl ZINC000012377165 555965326 /nfs/dbraw/zinc/96/53/26/555965326.db2.gz UUNFKHHDTWHEDL-UHFFFAOYSA-N 0 0 455.891 1.726 50 0 JDAARN CCOC(=O)c1ccc(NC(=O)CSc2nc(=O)n(CCN3CCOCC3)c3c2CCC3)cc1 ZINC000022908868 555965526 /nfs/dbraw/zinc/96/55/26/555965526.db2.gz YSQUARFJNLTBSM-UHFFFAOYSA-N 0 0 486.594 1.972 50 0 JDAARN COC(=O)c1ccc(NC(=O)CSc2nc(=O)n(CCN3CCOCC3)c3c2CCC3)cc1 ZINC000022908865 555965553 /nfs/dbraw/zinc/96/55/53/555965553.db2.gz QGQOWTIRHTWSCF-UHFFFAOYSA-N 0 0 472.567 1.582 50 0 JDAARN CC(=O)Nc1cccc(NC(=O)CSc2nc(=O)n(CCN3CCOCC3)c3c2CCC3)c1 ZINC000022908862 555965611 /nfs/dbraw/zinc/96/56/11/555965611.db2.gz VTQPVUIAMLXUTJ-UHFFFAOYSA-N 0 0 471.583 1.753 50 0 JDAARN O=C1CCCN1c1ccc(S(=O)(=O)N2CCN(CCN3C(=O)c4ccccc4C3=O)CC2)cc1 ZINC000012377220 555965779 /nfs/dbraw/zinc/96/57/79/555965779.db2.gz YPOFLIGVQUWAIO-UHFFFAOYSA-N 0 0 482.562 1.416 50 0 JDAARN O=C(CSc1nc(=O)n(CCN2CCOCC2)c2c1CCCC2)Nc1ccc2c(c1)OCO2 ZINC000022909104 555966449 /nfs/dbraw/zinc/96/64/49/555966449.db2.gz NZDWATSWLHSTQN-UHFFFAOYSA-N 0 0 472.567 1.914 50 0 JDAARN C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)CN2CCN(Cc3ccc4c(c3)CCO4)CC2)C1=O ZINC000022912732 555967994 /nfs/dbraw/zinc/96/79/94/555967994.db2.gz FNYHTZLDXMQVFF-HHHXNRCGSA-N 0 0 491.592 1.714 50 0 JDAARN O=S(=O)(c1cccc(CN2CCN(Cc3ccc4c(c3)CCO4)CC2)c1)N1CCOCC1 ZINC000022913908 555969005 /nfs/dbraw/zinc/96/90/05/555969005.db2.gz UUOWUHXMYLFJMJ-UHFFFAOYSA-N 0 0 457.596 1.960 50 0 JDAARN CCOC(=O)c1cc(S(=O)(=O)N2CCC[C@@H]2C(=O)NCCc2nc3ccccc3[nH]2)cn1C ZINC000015728966 555969201 /nfs/dbraw/zinc/96/92/01/555969201.db2.gz AYDJFIVJASXPNC-GOSISDBHSA-N 0 0 473.555 1.590 50 0 JDAARN Cc1cccc(-c2nc(CCN(C)S(=O)(=O)c3ccc4c(c3)n(C)c(=O)c(=O)n4C)no2)c1 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/nfs/dbraw/zinc/09/07/15/556090715.db2.gz UVLDJCCGURYQSV-HOKASXAUSA-N 0 0 462.506 1.108 50 0 biogenic JDAARN O=C1C(=O)N(CN2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C(=O)N1CCc1cccs1 ZINC000023840063 556090742 /nfs/dbraw/zinc/09/07/42/556090742.db2.gz GVVVYTWHVUJFQR-UHFFFAOYSA-N 0 0 480.543 1.185 50 0 JDAARN COc1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)[C@H](CC(N)=O)N[C@@]32c3ccc(Cl)c(C)c3NC2=O)cc1 ZINC000015959137 556090796 /nfs/dbraw/zinc/09/07/96/556090796.db2.gz BMDTUJQSZRATGT-DOGKRZLPSA-N 0 0 482.924 1.453 50 0 biogenic JDAARN COc1ccc(C(=O)N2CCN(CCOc3ccccc3)CC2)cc1S(=O)(=O)NC1CC1 ZINC000023845487 556091355 /nfs/dbraw/zinc/09/13/55/556091355.db2.gz UNMRGFXVOVKDHR-UHFFFAOYSA-N 0 0 459.568 1.973 50 0 JDAARN C[C@H](O)[C@H]1N[C@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@@H]21 ZINC000015959407 556091382 /nfs/dbraw/zinc/09/13/82/556091382.db2.gz XSTLMEBUFXOMLV-ZERPAEFPSA-N 0 0 469.881 1.370 50 0 biogenic JDAARN Cc1c2c(ccc1Cl)[C@]1(N[C@@H](CC(N)=O)[C@H]3C(=O)N(CCc4ccccc4)C(=O)[C@H]31)C(=O)N2 ZINC000015959818 556092036 /nfs/dbraw/zinc/09/20/36/556092036.db2.gz SUTBASSTIJUPRM-NARGUJOISA-N 0 0 466.925 1.487 50 0 biogenic JDAARN NC(=O)C[C@H]1N[C@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]12 ZINC000015959918 556092093 /nfs/dbraw/zinc/09/20/93/556092093.db2.gz ARFUMZSKJWYODQ-NZQNYPKQSA-N 0 0 452.898 1.179 50 0 biogenic JDAARN NC(=O)C[C@H]1N[C@@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]12 ZINC000015959920 556092166 /nfs/dbraw/zinc/09/21/66/556092166.db2.gz ARFUMZSKJWYODQ-YQYRJILISA-N 0 0 452.898 1.179 50 0 biogenic JDAARN O=C1C(=O)N(CN2CCN(S(=O)(=O)Cc3ccccc3)CC2)C(=O)N1Cc1cccs1 ZINC000023864548 556093442 /nfs/dbraw/zinc/09/34/42/556093442.db2.gz ZZHSCSUPJSOVON-UHFFFAOYSA-N 0 0 462.553 1.144 50 0 JDAARN NC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(Cc4ccsc4)CC3)CC2)cc1 ZINC000023864854 556093550 /nfs/dbraw/zinc/09/35/50/556093550.db2.gz HRPCWQBXWVNDLG-UHFFFAOYSA-N 0 0 476.624 1.592 50 0 JDAARN O=C(NCc1ccccc1CN1CCOCC1)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 ZINC000023865714 556094134 /nfs/dbraw/zinc/09/41/34/556094134.db2.gz YDMBFHMGMVLORI-JOCHJYFZSA-N 0 0 473.595 1.906 50 0 JDAARN CSc1nc2nc(C)c(CC(=O)N3CCN(Cc4cc(=O)n5ccsc5n4)CC3)c(C)n2n1 ZINC000023865931 556094406 /nfs/dbraw/zinc/09/44/06/556094406.db2.gz KTPKJFXORDIZPE-UHFFFAOYSA-N 0 0 484.611 1.419 50 0 JDAARN O=C(Nc1ccc2c(c1)OCO2)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 ZINC000023872962 556095775 /nfs/dbraw/zinc/09/57/75/556095775.db2.gz ZQGXDXUGTAVVTL-UHFFFAOYSA-N 0 0 474.539 1.686 50 0 JDAARN O=C(CN1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)Nc1ccc(CN2CCOCC2)cc1 ZINC000023872938 556095809 /nfs/dbraw/zinc/09/58/09/556095809.db2.gz HNPNGWNQKIHBBK-UHFFFAOYSA-N 0 0 498.649 1.953 50 0 JDAARN O=C(c1nn(-c2ccccc2)c(=O)c2ccccc21)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000023872948 556095877 /nfs/dbraw/zinc/09/58/77/556095877.db2.gz LBGLWHMJMKNXTF-GOSISDBHSA-N 0 0 452.536 1.331 50 0 JDAARN Cc1cc2c(c(Cl)c1)NC(=O)[C@]21N[C@H](CC(N)=O)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000015969894 556096006 /nfs/dbraw/zinc/09/60/06/556096006.db2.gz NAMMSLZIEDUSTO-BKJGLDIHSA-N 0 0 466.925 1.487 50 0 biogenic JDAARN O=C1C[C@@H](N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)C(=O)N1CCc1ccccc1 ZINC000023872999 556096222 /nfs/dbraw/zinc/09/62/22/556096222.db2.gz YLAKFQLXEQRXLH-HXUWFJFHSA-N 0 0 485.562 1.134 50 0 JDAARN COc1ccc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1S(=O)(=O)NC1CC1 ZINC000023873189 556096505 /nfs/dbraw/zinc/09/65/05/556096505.db2.gz KBIXDBCJMZLTHK-UHFFFAOYSA-N 0 0 473.551 1.823 50 0 JDAARN O=C(CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000023873118 556096609 /nfs/dbraw/zinc/09/66/09/556096609.db2.gz VDTODQCPERGVAL-QFIPXVFZSA-N 0 0 489.454 1.979 50 0 JDAARN Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000023873229 556096845 /nfs/dbraw/zinc/09/68/45/556096845.db2.gz QJTKCOVYYBGTNU-LJQANCHMSA-N 0 0 477.608 1.741 50 0 JDAARN O=C(c1cccnc1N1CCCC1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000023873283 556096881 /nfs/dbraw/zinc/09/68/81/556096881.db2.gz SYJMRSGQKBUURD-UHFFFAOYSA-N 0 0 458.540 1.600 50 0 JDAARN COc1ccc(C)cc1NC(=O)CNC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2)C1 ZINC000023875930 556097483 /nfs/dbraw/zinc/09/74/83/556097483.db2.gz CPPMGRSJMOYMBN-QGZVFWFLSA-N 0 0 453.495 1.963 50 0 JDAARN CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)N2CCN(Cc3cccs3)CC2)c1 ZINC000023881865 556098191 /nfs/dbraw/zinc/09/81/91/556098191.db2.gz XAKOWLCCCSVTGS-UHFFFAOYSA-N 0 0 478.640 1.793 50 0 JDAARN CCOC(=O)c1ccc(S(=O)(=O)N2CCN(CN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)CC2)cc1 ZINC000015981948 556100198 /nfs/dbraw/zinc/10/01/98/556100198.db2.gz YNCOWJDTNAWQPA-RTBURBONSA-N 0 0 461.540 1.078 50 0 JDAARN Cn1nnnc1SCC(=O)Nc1ccc(C(=O)N[C@H](CN2CCOCC2)c2ccccc2)cc1 ZINC000023909362 556101109 /nfs/dbraw/zinc/10/11/09/556101109.db2.gz AVCILIOZBXDSAQ-HXUWFJFHSA-N 0 0 481.582 1.744 50 0 JDAARN NC(=O)C[C@@H]1N[C@]2(C(=O)Nc3c2cccc3Cl)[C@@H]2C(=O)N(Cc3ccccc3Cl)C(=O)[C@@H]21 ZINC000016009693 556108241 /nfs/dbraw/zinc/10/82/41/556108241.db2.gz CPDZJNFKRQNLFI-DYXJYMTDSA-N 0 0 473.316 1.789 50 0 JDAARN Cc1c2c(ccc1Cl)[C@@]1(N[C@H](CC(N)=O)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]31)C(=O)N2 ZINC000016009783 556108609 /nfs/dbraw/zinc/10/86/09/556108609.db2.gz OQIFGHCCGGCTNG-VGHKVXAASA-N 0 0 452.898 1.444 50 0 JDAARN Cc1cc2c(c(Cl)c1)NC(=O)[C@@]21N[C@@H](CC(N)=O)[C@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]21 ZINC000016009731 556108650 /nfs/dbraw/zinc/10/86/50/556108650.db2.gz POBTUOSSPLAQCR-XQNUDUSMSA-N 0 0 470.888 1.584 50 0 JDAARN NC(=O)C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@@H]21 ZINC000016010281 556109781 /nfs/dbraw/zinc/10/97/81/556109781.db2.gz KUDNVCBQYVEFHW-ACWWSVHNSA-N 0 0 458.396 1.506 50 0 JDAARN COc1ccccc1CN1C(=O)[C@@H]2[C@H](C1=O)[C@H](CC(N)=O)N[C@@]21c2ccc(Cl)c(C)c2NC1=O ZINC000016012015 556110952 /nfs/dbraw/zinc/11/09/52/556110952.db2.gz MAGHCENZLGOWSY-WDEBQMKVSA-N 0 0 482.924 1.453 50 0 JDAARN Cc1cccc(OCCCNC(=O)c2ccc(S(=O)(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)c1 ZINC000012781158 556111636 /nfs/dbraw/zinc/11/16/36/556111636.db2.gz IXWULTDPPDRYMP-GOSISDBHSA-N 0 0 466.581 1.659 50 0 JDAARN NC(=O)C[C@@H]1N[C@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@@H]21 ZINC000016013135 556111994 /nfs/dbraw/zinc/11/19/94/556111994.db2.gz VSKSPZHWNJAIFH-PBWVOLNLSA-N 0 0 456.861 1.275 50 0 JDAARN Cc1ccc2c(c1C)NC(=O)[C@@]21N[C@H](CC(N)=O)[C@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]21 ZINC000016013192 556112034 /nfs/dbraw/zinc/11/20/34/556112034.db2.gz SBLZMJXTOYBWAV-SYSFZUQMSA-N 0 0 450.470 1.239 50 0 JDAARN Cc1cc(Cl)cc2c1NC(=O)[C@]21N[C@@H](CC(N)=O)[C@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]21 ZINC000016013098 556112112 /nfs/dbraw/zinc/11/21/12/556112112.db2.gz SRVZEVYTLGSSDP-XITLKHQFSA-N 0 0 470.888 1.584 50 0 JDAARN Cc1cccc2c1NC(=O)[C@@]21N[C@H](CC(N)=O)[C@H]2C(=O)N(Cc3ccccc3Cl)C(=O)[C@H]21 ZINC000016021295 556113662 /nfs/dbraw/zinc/11/36/62/556113662.db2.gz DJFORABKBRCNIF-SAQZZPNQSA-N 0 0 452.898 1.444 50 0 JDAARN CCCCN1C(=O)C[C@H](C(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)[C@@H]1c1ccc(OC)cc1 ZINC000023990117 556114440 /nfs/dbraw/zinc/11/44/40/556114440.db2.gz MTQCZIIFYJBLCH-NWSQWKLXSA-N 0 0 477.627 1.716 50 0 JDAARN C[C@H](C(=O)Nc1sc2c(c1C(N)=O)CCC2)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000012804858 556114591 /nfs/dbraw/zinc/11/45/91/556114591.db2.gz QZKBGMWXHJNDCE-KDOFPFPSSA-N 0 0 484.578 1.647 50 0 JDAARN O=C(CSc1nnnn1-c1ccc(O)cc1)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 ZINC000012819764 556115576 /nfs/dbraw/zinc/11/55/76/556115576.db2.gz ACIKTPZMCVBAFG-XNTDXEJSSA-N 0 0 486.579 1.605 50 0 JDAARN O=C(C[C@H]1NC(=O)N(CN2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)C1=O)N1CCCC1 ZINC000023995971 556115734 /nfs/dbraw/zinc/11/57/34/556115734.db2.gz JKKWFSKVXRPQKX-OAQYLSRUSA-N 0 0 499.593 1.037 50 0 JDAARN CNC(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)cc1 ZINC000024003774 556116022 /nfs/dbraw/zinc/11/60/22/556116022.db2.gz MUBLSJWXQVSOPN-UHFFFAOYSA-N 0 0 472.567 1.920 50 0 JDAARN COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@H]([C@@H](C)O)N[C@]32C(=O)Nc3ccccc32)cc1OC ZINC000016025236 556116125 /nfs/dbraw/zinc/11/61/25/556116125.db2.gz KLZCNRCJNIYBSI-ROZCVBBGSA-N 0 0 465.506 1.048 50 0 JDAARN COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)c3nn(C)c(=O)c4ccccc43)CC2)c1 ZINC000024077694 556118827 /nfs/dbraw/zinc/11/88/27/556118827.db2.gz RJHOVQSTESXNPD-UHFFFAOYSA-N 0 0 472.523 1.097 50 0 JDAARN COC(=O)C1C(C)=NC(=S)N[C@@H]1c1ccc(OCC(=O)N2C[C@H](C)O[C@@H](C)C2)c(OC)c1 ZINC000016035712 556119241 /nfs/dbraw/zinc/11/92/41/556119241.db2.gz RUQQFQQMPXBOBR-KQHSUYLTSA-N 0 0 463.556 1.676 50 0 JDAARN C[C@@H]1CN(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C[C@H](C)O1 ZINC000012860893 556119644 /nfs/dbraw/zinc/11/96/44/556119644.db2.gz WMLQOELTNRBOKX-IYBDPMFKSA-N 0 0 457.980 1.589 50 0 JDAARN CCOC(=O)c1ccc2c(c1)nc(SCC(=O)N1CCN([C@H]3CCS(=O)(=O)C3)CC1)n2CC ZINC000024137648 556123024 /nfs/dbraw/zinc/12/30/24/556123024.db2.gz UDHJKXQNZRUYGX-KRWDZBQOSA-N 0 0 494.639 1.656 50 0 JDAARN COC(=O)c1ccc2c(c1)nc(SCC(=O)N1CCC[C@H](C(N)=O)C1)n(CC(C)C)c2=O ZINC000024146027 556123307 /nfs/dbraw/zinc/12/33/07/556123307.db2.gz OGEMLTOLOYZWRX-HNNXBMFYSA-N 0 0 460.556 1.655 50 0 JDAARN CC(=O)NCCC(=O)Oc1ccc(S(=O)(=O)c2ccc(OC(=O)CCNC(C)=O)cc2)cc1 ZINC000016043684 556123428 /nfs/dbraw/zinc/12/34/28/556123428.db2.gz LDRROZPZKXIPQV-UHFFFAOYSA-N 0 0 476.507 1.383 50 0 JDAARN COC(=O)CCn1c(SCCOc2ccc(S(N)(=O)=O)cc2)nc2ccccc2c1=O ZINC000024172027 556124780 /nfs/dbraw/zinc/12/47/80/556124780.db2.gz IJPSVMJEJDBIKG-UHFFFAOYSA-N 0 0 463.537 1.778 50 0 JDAARN C[C@H]1CN(S(=O)(=O)c2cc(C(=O)NCCCN3CCCC3=O)ccc2Cl)C[C@H](C)O1 ZINC000016044631 556124896 /nfs/dbraw/zinc/12/48/96/556124896.db2.gz VURLGVXRHADVDC-GJZGRUSLSA-N 0 0 457.980 1.880 50 0 JDAARN CC1CCN(S(=O)(=O)c2ccc(C(=O)N(C[C@H]3CCCO3)[C@H]3CCS(=O)(=O)C3)cc2)CC1 ZINC000016044995 556125709 /nfs/dbraw/zinc/12/57/09/556125709.db2.gz CQHGDMVPONFQQL-VQTJNVASSA-N 0 0 484.640 1.916 50 0 JDAARN O=C1COc2ccc(S(=O)(=O)Nc3ccc(Cl)c(S(=O)(=O)N4CCOCC4)c3)cc2N1 ZINC000024257005 556127912 /nfs/dbraw/zinc/12/79/12/556127912.db2.gz PFBMHRRRRDSQCI-UHFFFAOYSA-N 0 0 487.943 1.493 50 0 JDAARN COc1cccc(N2C[C@H](C(=O)Nc3cccc(S(=O)(=O)N4CCOCC4)c3)CC2=O)c1 ZINC000012909140 556128315 /nfs/dbraw/zinc/12/83/15/556128315.db2.gz RWUFISQRRRUFMJ-MRXNPFEDSA-N 0 0 459.524 1.708 50 0 JDAARN O=C(CCn1ncc(=O)c2ccccc21)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000012910014 556128847 /nfs/dbraw/zinc/12/88/47/556128847.db2.gz OZQOQTNLWZZIQK-UHFFFAOYSA-N 0 0 466.563 1.808 50 0 JDAARN Cc1nn(CC(=O)NCc2ccc3c(c2)OCO3)c(C)c1S(=O)(=O)N(C)Cc1ccco1 ZINC000012910923 556129784 /nfs/dbraw/zinc/12/97/84/556129784.db2.gz RZHSMBOMVGEKAT-UHFFFAOYSA-N 0 0 460.512 1.959 50 0 JDAARN O=c1[nH]c2ccc(S(=O)(=O)N3CCN(CCOc4ccc(Cl)cc4)CC3)cc2[nH]c1=O ZINC000024358335 556129957 /nfs/dbraw/zinc/12/99/57/556129957.db2.gz COEKRPOTWIVQRB-UHFFFAOYSA-N 0 0 464.931 1.255 50 0 JDAARN CN(C)S(=O)(=O)c1ccc2c(c1)CCN2Cc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000024512063 556133097 /nfs/dbraw/zinc/13/30/97/556133097.db2.gz UQANIEFDOCSSEI-UHFFFAOYSA-N 0 0 465.597 1.521 50 0 JDAARN 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ZINC000012920323 556139021 /nfs/dbraw/zinc/13/90/21/556139021.db2.gz CJGWQAKQKKNQTE-UHFFFAOYSA-N 0 0 450.517 1.479 50 0 JDAARN CCOC(=O)N1CCN(CCS(=O)(=O)c2c(F)c(F)nc(N3CCCC3)c2F)CC1 ZINC000024616769 556142567 /nfs/dbraw/zinc/14/25/67/556142567.db2.gz BXKJUIJFMQQSCS-UHFFFAOYSA-N 0 0 450.483 1.647 50 0 JDAARN CCCCn1c(N)c(N(CCOC)C(=O)COC(=O)c2c[nH]c3ccccc32)c(=O)[nH]c1=O ZINC000012924702 556143069 /nfs/dbraw/zinc/14/30/69/556143069.db2.gz MBXOZGMQLLRCON-UHFFFAOYSA-N 0 0 457.487 1.237 50 0 JDAARN Cc1noc(C)c1COc1cccc(C(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)c1 ZINC000024696035 556145675 /nfs/dbraw/zinc/14/56/75/556145675.db2.gz OKJRFGCYGQMCGV-UHFFFAOYSA-N 0 0 477.587 1.120 50 0 JDAARN Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)N3CCN(S(=O)(=O)N4CCN(C)CC4)CC3)c12 ZINC000024696432 556145726 /nfs/dbraw/zinc/14/57/26/556145726.db2.gz DOSPUWPSADPFDO-UHFFFAOYSA-N 0 0 497.625 1.194 50 0 JDAARN COc1ccc(Cn2nnnc2SCC(=O)NCc2ccccc2CN2CCOCC2)cc1 ZINC000024715294 556146478 /nfs/dbraw/zinc/14/64/78/556146478.db2.gz 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ANPVZJRESJMVTP-KRWDZBQOSA-N 0 0 489.566 1.126 50 0 JDAARN O=S(=O)(c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000031772815 556403303 /nfs/dbraw/zinc/40/33/03/556403303.db2.gz HLOZLKQPVNGYNA-LJQANCHMSA-N 0 0 455.579 1.394 50 0 JDAARN COc1ccc(OCCNS(=O)(=O)c2cccc(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)c2)cc1 ZINC000031772869 556403431 /nfs/dbraw/zinc/40/34/31/556403431.db2.gz DVJBQFUCYJKGIV-LJQANCHMSA-N 0 0 489.593 1.013 50 0 JDAARN O=S(=O)(Nc1ccc(F)cc1F)c1cccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000031773046 556403782 /nfs/dbraw/zinc/40/37/82/556403782.db2.gz GNVVBLSHUALHSS-CQSZACIVSA-N 0 0 451.494 1.726 50 0 JDAARN CCOC(=O)c1sc2nc([C@H](C)N3CCN(S(=O)(=O)c4cccnc4)CC3)[nH]c(=O)c2c1C ZINC000031786733 556404416 /nfs/dbraw/zinc/40/44/16/556404416.db2.gz VNVOXQAMOZPWGK-AWEZNQCLSA-N 0 0 491.595 1.932 50 0 JDAARN Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000031807791 556405343 /nfs/dbraw/zinc/40/53/43/556405343.db2.gz UKTRTAQZCUIOKQ-JTQLQIEISA-N 0 0 461.327 1.718 50 0 JDAARN Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N1CCC(C(=O)NCCc2ccc(Cl)cc2Cl)CC1 ZINC000031809178 556405893 /nfs/dbraw/zinc/40/58/93/556405893.db2.gz XPFUQAUMFKWIOT-UHFFFAOYSA-N 0 0 489.381 1.438 50 0 JDAARN Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N1CCC[C@H](C(=O)Nc2cc(Cl)cc(Cl)c2)C1 ZINC000031809350 556405952 /nfs/dbraw/zinc/40/59/52/556405952.db2.gz PFDJFIFLGRFNDF-JTQLQIEISA-N 0 0 461.327 1.718 50 0 JDAARN COc1ccc(Cl)cc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O)C1 ZINC000031810667 556406165 /nfs/dbraw/zinc/40/61/65/556406165.db2.gz PWSNEGVIZISUJP-LLVKDONJSA-N 0 0 456.908 1.073 50 0 JDAARN COc1ccc(N2C[C@@H](C(=O)NCCC(=O)N3CCN(c4ccccn4)CC3)CC2=O)cc1 ZINC000031811930 556406441 /nfs/dbraw/zinc/40/64/41/556406441.db2.gz BMKAJPODVTVYQS-SFHVURJKSA-N 0 0 451.527 1.298 50 0 JDAARN COc1ccc(N2C[C@H](C(=O)NCCC(=O)N3CCN(c4ccccn4)CC3)CC2=O)cc1 ZINC000031811937 556406556 /nfs/dbraw/zinc/40/65/56/556406556.db2.gz BMKAJPODVTVYQS-GOSISDBHSA-N 0 0 451.527 1.298 50 0 JDAARN CCn1c(=O)[nH]c(=O)c2c(C(=O)N3CCN(Cc4ccc5c(c4)OCCO5)CC3)cc(C3CC3)nc21 ZINC000032238315 556434078 /nfs/dbraw/zinc/43/40/78/556434078.db2.gz QCOQIIMHWDAPFN-UHFFFAOYSA-N 0 0 491.548 1.711 50 0 JDAARN COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCN(S(=O)(=O)N2CCCCCC2)CC1 ZINC000032438806 556435674 /nfs/dbraw/zinc/43/56/74/556435674.db2.gz RSOJIOZAMRHFSX-UHFFFAOYSA-N 0 0 463.578 1.110 50 0 JDAARN O=C(CN1CCN(c2ccc(C(F)(F)F)cn2)CC1)N1CCN(C(=O)c2ccco2)CC1 ZINC000032511015 556443440 /nfs/dbraw/zinc/44/34/40/556443440.db2.gz ONAVJBGMYQFUIB-UHFFFAOYSA-N 0 0 451.449 1.800 50 0 JDAARN O=S(=O)(CCN1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)c1ccc(Cl)cc1 ZINC000032652422 556465858 /nfs/dbraw/zinc/46/58/58/556465858.db2.gz KAFZBCCUAUFBPN-UHFFFAOYSA-N 0 0 486.999 1.891 50 0 JDAARN CCN1CCN(C(=O)[C@@H](C)OC(=O)[C@H](NS(=O)(=O)c2ccc(Cl)cc2)C(C)C)CC1 ZINC000032666636 556467049 /nfs/dbraw/zinc/46/70/49/556467049.db2.gz YWPLQWFZCHCGMN-CRAIPNDOSA-N 0 0 459.996 1.739 50 0 JDAARN C[C@@H](OC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000032669968 556467635 /nfs/dbraw/zinc/46/76/35/556467635.db2.gz CYJSUHQSFUUGGT-YPMHNXCESA-N 0 0 473.454 1.324 50 0 JDAARN O=C(COC(=O)CCCNC1=NS(=O)(=O)c2ccccc21)NC[C@H]1COc2ccccc2O1 ZINC000032668426 556467648 /nfs/dbraw/zinc/46/76/48/556467648.db2.gz AFVSXUKRFCFMFO-HNNXBMFYSA-N 0 0 473.507 1.005 50 0 JDAARN C[C@@H](OC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000032669971 556467686 /nfs/dbraw/zinc/46/76/86/556467686.db2.gz MLALQQNLAOCSPV-BXUZGUMPSA-N 0 0 475.445 1.741 50 0 JDAARN Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)[C@H]3CC[C@@H](C(F)(F)F)NC3=O)CC2)c(C)c1 ZINC000032670954 556467931 /nfs/dbraw/zinc/46/79/31/556467931.db2.gz JADUHGOGMAZNNB-HOTGVXAUSA-N 0 0 461.506 1.902 50 0 JDAARN Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)[C@@H]3CC[C@H](C(F)(F)F)NC3=O)CC2)c(C)c1 ZINC000032670956 556467943 /nfs/dbraw/zinc/46/79/43/556467943.db2.gz JADUHGOGMAZNNB-HZPDHXFCSA-N 0 0 461.506 1.902 50 0 JDAARN COc1ccc(-c2nnc(SCC(=O)NC[C@@H]3COc4ccccc4O3)n2N)cc1OC ZINC000032672120 556468547 /nfs/dbraw/zinc/46/85/47/556468547.db2.gz DAQMSPAQRZUSLM-CQSZACIVSA-N 0 0 457.512 1.724 50 0 JDAARN Cc1ccc(N2C[C@@H](C(=O)NCc3ccccc3CS(=O)(=O)N3CCOCC3)CC2=O)cc1 ZINC000032706070 556472261 /nfs/dbraw/zinc/47/22/61/556472261.db2.gz GXETYUAGRAYETB-NRFANRHFSA-N 0 0 471.579 1.826 50 0 JDAARN Cc1ccc(N2C[C@@H](C(=O)NCc3ccccc3CS(=O)(=O)N3CCOCC3)CC2=O)cc1F ZINC000032706231 556472544 /nfs/dbraw/zinc/47/25/44/556472544.db2.gz SGDHPIKWEMIISQ-FQEVSTJZSA-N 0 0 489.569 1.965 50 0 JDAARN COc1cc(C(=O)N[C@@H](C(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)C(C)C)cc(OC)c1OC ZINC000032721333 556474908 /nfs/dbraw/zinc/47/49/08/556474908.db2.gz UODWOLJFENAMHE-OAQYLSRUSA-N 0 0 492.617 1.526 50 0 JDAARN CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2cc(C)nn2[C@@H]2CCS(=O)(=O)C2)c1 ZINC000032736034 556477666 /nfs/dbraw/zinc/47/76/66/556477666.db2.gz UNWCWOBUXUOVIG-MRXNPFEDSA-N 0 0 454.574 1.834 50 0 JDAARN C[C@@H]1C[C@H](OC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C(=O)O1 ZINC000032736448 556478032 /nfs/dbraw/zinc/47/80/32/556478032.db2.gz CKRTUCNCEWJTQW-CJNGLKHVSA-N 0 0 458.920 1.200 50 0 JDAARN C[C@@H](OC(=O)Cc1csc(N2CCCC2=O)n1)C(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000032745495 556483365 /nfs/dbraw/zinc/48/33/65/556483365.db2.gz PBCNTGXLNNCORD-GFCCVEGCSA-N 0 0 451.526 1.999 50 0 JDAARN CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)C(=O)OCC(=O)NCCc2cccc(Cl)c2)cc1 ZINC000032747249 556483661 /nfs/dbraw/zinc/48/36/61/556483661.db2.gz SOQPUZLKUMVACQ-CQSZACIVSA-N 0 0 481.958 1.867 50 0 JDAARN C[C@@H](NC(=O)[C@H](CCS(C)(=O)=O)N1C(=O)c2ccccc2C1=O)c1ccc2c(c1)OCCO2 ZINC000032747870 556484792 /nfs/dbraw/zinc/48/47/92/556484792.db2.gz PDVAPZVTOINPST-KDOFPFPSSA-N 0 0 472.519 1.735 50 0 JDAARN Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)OCC(=O)N(C)[C@@]1(c2ccccc2Cl)CCCCC1=O ZINC000032752761 556485458 /nfs/dbraw/zinc/48/54/58/556485458.db2.gz IUDHTMCTOVRDRD-HSZRJFAPSA-N 0 0 475.929 1.998 50 0 JDAARN C[C@@H](C(=O)N1CCNC1=O)N1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000032753319 556485766 /nfs/dbraw/zinc/48/57/66/556485766.db2.gz IXVCXQJDXVWYDR-NSHDSACASA-N 0 0 468.885 1.605 50 0 JDAARN Cc1cccc(NC(=O)CN2CCN(CC(=O)NC[C@@H]3COc4ccccc4O3)CC2)c1C ZINC000032759502 556487768 /nfs/dbraw/zinc/48/77/68/556487768.db2.gz ZBCIUDAHTGFJJU-HXUWFJFHSA-N 0 0 452.555 1.816 50 0 JDAARN CNC(=O)[C@H]1CN(CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)c2ccccc2O1 ZINC000032764727 556488463 /nfs/dbraw/zinc/48/84/63/556488463.db2.gz XGYSBTAXOVUAEC-MRXNPFEDSA-N 0 0 499.014 1.248 50 0 JDAARN Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N(Cc2ccco2)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000032768308 556489033 /nfs/dbraw/zinc/48/90/33/556489033.db2.gz QTTNXOVXMFIXTF-QGZVFWFLSA-N 0 0 485.584 1.501 50 0 JDAARN CCCCCn1nc(C(=O)O[C@H](C)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)c2ccccc2c1=O ZINC000032776079 556490999 /nfs/dbraw/zinc/49/09/99/556490999.db2.gz YWDMJDOYYRCOSV-CVEARBPZSA-N 0 0 463.556 1.778 50 0 JDAARN C[C@H](OC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000032776526 556492050 /nfs/dbraw/zinc/49/20/50/556492050.db2.gz DJDOTTNNUJUFLR-LZLYRXPVSA-N 0 0 451.545 1.508 50 0 JDAARN C[C@H](OC(=O)CCc1nc(-c2ccc(Cl)cc2)no1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000032776504 556492095 /nfs/dbraw/zinc/49/20/95/556492095.db2.gz DUFQGZAXLZHZMO-SWLSCSKDSA-N 0 0 455.920 1.900 50 0 JDAARN C[C@H](OC(=O)CCN1C(=O)CCC1=O)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000032777551 556492642 /nfs/dbraw/zinc/49/26/42/556492642.db2.gz YHSTZCADOQQQBL-ZDUSSCGKSA-N 0 0 471.432 1.951 50 0 JDAARN Cn1cc(S(=O)(=O)N(CC(=O)Nc2ccc(C(N)=O)cc2)c2ccccc2)cc1C(N)=O ZINC000032777871 556492714 /nfs/dbraw/zinc/49/27/14/556492714.db2.gz BOJBVRIIOMJKPK-UHFFFAOYSA-N 0 0 455.496 1.057 50 0 JDAARN CCOC(=O)c1cc(CC)sc1NC(=O)CN1C(=O)N[C@@](C)(c2cccc(-n3cnnn3)c2)C1=O ZINC000032814309 556501843 /nfs/dbraw/zinc/50/18/43/556501843.db2.gz AUGNMYVSXUWJAK-QFIPXVFZSA-N 0 0 497.537 1.869 50 0 JDAARN COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)Nc2ccc([C@@]3(C)NC(=O)NC3=O)cc2)c1 ZINC000032818938 556503491 /nfs/dbraw/zinc/50/34/91/556503491.db2.gz QKIAUUUBSGESPB-HXUWFJFHSA-N 0 0 461.452 1.115 50 0 JDAARN C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)CCn2nc(-c3cccs3)oc2=O)C1=O ZINC000032820675 556504158 /nfs/dbraw/zinc/50/41/58/556504158.db2.gz RQOWZQNMSWKVIY-OAQYLSRUSA-N 0 0 455.496 1.929 50 0 JDAARN CCOc1ccc(S(=O)(=O)N2CCN(Cn3c(=O)c4c(nc(C)cc4C)n3C)CC2)cc1 ZINC000032823932 556504471 /nfs/dbraw/zinc/50/44/71/556504471.db2.gz XIAIRVGAGHPRHO-UHFFFAOYSA-N 0 0 459.572 1.715 50 0 JDAARN C[C@@H](c1nc(Cc2ccccc2)no1)N1CCN(C(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)CC1 ZINC000032830498 556506349 /nfs/dbraw/zinc/50/63/49/556506349.db2.gz LPVGITDEWWHTLY-INIZCTEOSA-N 0 0 489.536 1.125 50 0 JDAARN CCOC(=O)c1nnsc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000032832556 556506593 /nfs/dbraw/zinc/50/65/93/556506593.db2.gz YBHTULXFYJYXAJ-UHFFFAOYSA-N 0 0 460.921 1.641 50 0 JDAARN COc1cc2ncn(CCCC(=O)N3Cc4ccccc4C[C@H]3C(N)=O)c(=O)c2cc1OC 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O=C(CN1C(=O)NC2(CCCC2)C1=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000012866762 195161682 /nfs/dbraw/zinc/16/16/82/195161682.db2.gz GEHQYMLMEMGRCD-UHFFFAOYSA-N 0 0 499.387 1.147 50 0 JDAARN Cn1cc(S(=O)(=O)N2CCN(C(=O)c3ccc(Br)cc3)CC2)cc1C(N)=O ZINC000012867483 195162024 /nfs/dbraw/zinc/16/20/24/195162024.db2.gz YSNDMKICLAVJQE-UHFFFAOYSA-N 0 0 455.334 1.033 50 0 JDAARN COCCN(C(=O)COC(=O)c1sccc1C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000012868068 195162129 /nfs/dbraw/zinc/16/21/29/195162129.db2.gz ZAEKIGVVEPKOSE-UHFFFAOYSA-N 0 0 472.523 1.373 50 0 JDAARN CCCCCn1c(COc2ccccc2C)nn([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)c1=S ZINC000012898916 195176659 /nfs/dbraw/zinc/17/66/59/195176659.db2.gz IKVHMBGHQIIQHH-MSEOUXRUSA-N 0 0 494.614 1.608 50 0 JDAARN CCCCCn1c(-c2ccccc2)nn([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)c1=S ZINC000012898861 195176675 /nfs/dbraw/zinc/17/66/75/195176675.db2.gz HIPCFDOXSJAFBS-HGJKNBTDSA-N 0 0 450.561 1.387 50 0 biogenic JDAARN 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Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)O[C@H](C)C(=O)Nc2ccc(C(N)=O)cc2)cc1 ZINC000012880345 195168161 /nfs/dbraw/zinc/16/81/61/195168161.db2.gz SOWBFGVSBBAIEM-DNVCBOLYSA-N 0 0 459.524 1.817 50 0 JDAARN Cc1cc2c(c(C)c1)NC(=O)[C@@]21[NH2+][C@@H](CCC(=O)[O-])[C@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]21 ZINC000012883793 195169655 /nfs/dbraw/zinc/16/96/55/195169655.db2.gz LERNXAHDJSRORW-FKRWJQPVSA-N 0 0 491.500 1.818 50 0 biogenic JDAARN O=c1n2ccccc2nn1CN1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000012885920 195170463 /nfs/dbraw/zinc/17/04/63/195170463.db2.gz NZMLSURRQACZDI-UHFFFAOYSA-N 0 0 458.363 1.284 50 0 JDAARN CCOc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)NC(=O)C(C)(C)C)CC2)cc1OCC ZINC000012889008 195171789 /nfs/dbraw/zinc/17/17/89/195171789.db2.gz HOXDUTBLGIOYJM-MRXNPFEDSA-N 0 0 469.604 1.868 50 0 JDAARN CC[C@H](C)[C@H](NC(=O)CNC(=O)COc1ccc2c(C)cc(=O)oc2c1C)C(=O)NC(C)C ZINC000012890568 195172675 /nfs/dbraw/zinc/17/26/75/195172675.db2.gz ZKZIHEXWGKVZLR-FPTDNZKUSA-N 0 0 459.543 1.960 50 0 biogenic JDAARN 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Cc1ccc(S(=O)(=O)N(CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)Cc2ccco2)cc1 ZINC000024602285 525503538 /nfs/dbraw/zinc/50/35/38/525503538.db2.gz YXPZGSBZILKVIL-IBGZPJMESA-N 0 0 495.623 1.110 50 0 JDAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C(=O)N3CCN(C)CC3)C(C)C)CC2)cc1 ZINC000020357421 525520292 /nfs/dbraw/zinc/52/02/92/525520292.db2.gz WDAGIRXNGFJCPT-NRFANRHFSA-N 0 0 464.632 1.311 50 0 JDAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C(=O)NC[C@@H]3CCCO3)C(C)C)CC2)cc1 ZINC000004325507 525520464 /nfs/dbraw/zinc/52/04/64/525520464.db2.gz LAWZRWFMAAIMKC-FPOVZHCZSA-N 0 0 465.616 1.832 50 0 JDAARN Cc1ccc(S(=O)(=O)N2CCN(CN3C(=O)C(=O)N(Cc4cccs4)C3=O)CC2)cc1C ZINC000013163394 525543921 /nfs/dbraw/zinc/54/39/21/525543921.db2.gz VLHQAZLAXSQPDR-UHFFFAOYSA-N 0 0 476.580 1.620 50 0 JDAARN CSCC[C@@H](NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)C(=O)NCc1ccc(F)cc1 ZINC000008603769 525555894 /nfs/dbraw/zinc/55/58/94/525555894.db2.gz GNZBWNUVCYRUFX-MRXNPFEDSA-N 0 0 467.544 1.987 50 0 JDAARN Cc1ccc(S(=O)(=O)NC(=[NH2+])NCCC[C@H](NC(=O)OCc2ccccc2)C(=O)[O-])cc1 ZINC000008626846 525562198 /nfs/dbraw/zinc/56/21/98/525562198.db2.gz BHQRCFPZYISVMF-SFHVURJKSA-N 0 0 462.528 1.957 50 0 JDAARN CSCC[C@H](NS(=O)(=O)/C=C\c1ccccc1)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000033581423 525595252 /nfs/dbraw/zinc/59/52/52/525595252.db2.gz DAJZSKBFDDHDQJ-JDQHYLEWSA-N 0 0 497.664 1.705 50 0 JDAARN CSCC[C@H](NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)C(=O)NCc1cccs1 ZINC000013521586 525595349 /nfs/dbraw/zinc/59/53/49/525595349.db2.gz ZKISZJOBNSQVAZ-AWEZNQCLSA-N 0 0 455.583 1.909 50 0 JDAARN Cc1cc2c(cc1S(=O)(=O)N(C)CC(=O)Nc1ccc3c(c1)OCCO3)O[C@@H](C)C(=O)N2 ZINC000035452818 525611240 /nfs/dbraw/zinc/61/12/40/525611240.db2.gz HWEOOQUGJBAUBC-ZDUSSCGKSA-N 0 0 461.496 1.745 50 0 JDAARN Cc1cc2c(cc1S(=O)(=O)N1CCC[C@H]1C(=O)N1CCN(c3ccccc3)CC1)OCC(=O)N2 ZINC000035482362 525616872 /nfs/dbraw/zinc/61/68/72/525616872.db2.gz LVTJVIOAQHJKGY-FQEVSTJZSA-N 0 0 484.578 1.828 50 0 JDAARN Cc1ccc(S(=O)(=O)Oc2ccc(S(=O)(=O)N3CCC[C@H]3C(=O)N3CCOCC3)cc2)cc1 ZINC000048303498 525625284 /nfs/dbraw/zinc/62/52/84/525625284.db2.gz ULIRMMVJJAETMI-NRFANRHFSA-N 0 0 494.591 1.775 50 0 JDAARN COc1ccc2cc(CN(C)C(=O)CN3CCN(C(=O)CN4CCOCC4)CC3)ccc2c1 ZINC000022550563 525626013 /nfs/dbraw/zinc/62/60/13/525626013.db2.gz QLDOASNNNACCRL-UHFFFAOYSA-N 0 0 454.571 1.283 50 0 JDAARN Cc1ccc(S(=O)(=O)[C@@H](NC(=O)c2ccco2)C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1 ZINC000012374398 525627861 /nfs/dbraw/zinc/62/78/61/525627861.db2.gz GGZFZHXHOZVKFL-OAQYLSRUSA-N 0 0 485.518 1.695 50 0 JDAARN Cc1ccc(-c2cc(C(=O)N3CCCCC3)[nH]n2)cc1S(=O)(=O)N1CCC(C(N)=O)CC1 ZINC000021882401 525718997 /nfs/dbraw/zinc/71/89/97/525718997.db2.gz JLPXNRXMOGBISW-UHFFFAOYSA-N 0 0 459.572 1.897 50 0 JDAARN COc1cccc(-c2nc(SCC(=O)NCc3ccco3)c3c(=O)n(C)c(=O)n(C)c3n2)c1 ZINC000008598975 525726533 /nfs/dbraw/zinc/72/65/33/525726533.db2.gz VPGSWPDWSBTWTP-UHFFFAOYSA-N 0 0 467.507 1.704 50 0 JDAARN Cc1c(Cl)c(C(F)(F)F)nn1CCC(=O)N1CCN(S(=O)(=O)c2cnn(C)c2)CC1 ZINC000002804932 525742506 /nfs/dbraw/zinc/74/25/06/525742506.db2.gz KTIJZQOFZGTFDC-UHFFFAOYSA-N 0 0 468.889 1.520 50 0 JDAARN COc1cccc(-n2nc(C(=O)N3CCN(C(C)=O)CC3)c(=O)n(Cc3ccccc3Cl)c2=O)c1 ZINC000036087759 525755169 /nfs/dbraw/zinc/75/51/69/525755169.db2.gz SEGBANARHVPOIF-UHFFFAOYSA-N 0 0 497.939 1.409 50 0 JDAARN Cc1c(Cl)cccc1NC(=O)CNC(=O)COC(=O)CNS(=O)(=O)c1ccccc1F ZINC000026045583 525765195 /nfs/dbraw/zinc/76/51/95/525765195.db2.gz SGIDYVRFAFCSJM-UHFFFAOYSA-N 0 0 471.894 1.364 50 0 JDAARN C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)CN2CCN(Cc3cccs3)CC2)C1=O ZINC000022804944 525827499 /nfs/dbraw/zinc/82/74/99/525827499.db2.gz AMHZIWZSORCQAT-QHCPKHFHSA-N 0 0 455.584 1.840 50 0 JDAARN Cc1ccc(-c2nn3c(nc(CN4CCN(S(=O)(=O)c5c[nH]cn5)CC4)cc3=O)s2)cc1 ZINC000045962207 525843370 /nfs/dbraw/zinc/84/33/70/525843370.db2.gz RYNQIJGAYIJHEX-UHFFFAOYSA-N 0 0 471.568 1.356 50 0 JDAARN Cc1c(S(=O)(=O)N2CCC[C@H](C(=O)N(C)Cc3c(Br)cnn3C)C2)cnn1C 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COC(=O)C1=C(C)OC(N)=C(C(=O)OC)[C@@]12c1ccccc1N(CC(=O)OCc1ccccc1)C2=O ZINC000002212043 554095690 /nfs/dbraw/zinc/09/56/90/554095690.db2.gz XDEONPNMJZSZNZ-AREMUKBSSA-N 0 0 492.484 1.835 50 0 JDAARN CCOC(=O)C1=C(N)OC(C)=C(C(=O)OC(C)(C)C)[C@]12c1ccccc1N(CC(=O)OC)C2=O ZINC000002212916 554096381 /nfs/dbraw/zinc/09/63/81/554096381.db2.gz SLCJVPIYPBYTLE-XMMPIXPASA-N 0 0 472.494 1.823 50 0 JDAARN CCOC(=O)C1=C(N)n2c(=O)/c(=C/c3ccccc3)sc2=C(C(=O)OC)[C@H]1c1ccccc1 ZINC000002217388 554098754 /nfs/dbraw/zinc/09/87/54/554098754.db2.gz GMOKCPGPVVFXRR-DNKLCNGGSA-N 0 0 462.527 1.550 50 0 JDAARN COC[C@@H](C)OC(=O)c1c(N)n(-c2ccc(S(N)(=O)=O)cc2)c2nc3ccccc3nc12 ZINC000002255543 554118618 /nfs/dbraw/zinc/11/86/18/554118618.db2.gz VDZRRSLODHAWMN-GFCCVEGCSA-N 0 0 455.496 1.995 50 0 JDAARN CCOC(=O)CC1=C(C(=O)OCC)[C@]2(c3ccccc3N(C)C2=O)C(C(=O)OCC)=C(N)O1 ZINC000002258467 554120424 /nfs/dbraw/zinc/12/04/24/554120424.db2.gz KXVPNYGLIFWDJO-HSZRJFAPSA-N 0 0 458.467 1.435 50 0 JDAARN Nc1c(C(=O)NC[C@H]2CCCO2)c2nc3ccccc3nc2n1CCc1ccc(S(N)(=O)=O)cc1 ZINC000002330259 554151160 /nfs/dbraw/zinc/15/11/60/554151160.db2.gz GOXYWLDFYQNRMR-MRXNPFEDSA-N 0 0 494.577 1.966 50 0 JDAARN COc1ccccc1NC(=S)N1CCNC(=O)[C@@H]1CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000002342944 554156956 /nfs/dbraw/zinc/15/69/56/554156956.db2.gz JBRFRMBNTPHHQT-INIZCTEOSA-N 0 0 456.524 1.992 50 0 JDAARN CC12CN(S(=O)(=O)c3ccccc3)CC(C)(CN(S(=O)(=O)c3ccccc3)C1)C2O ZINC000002374661 554172693 /nfs/dbraw/zinc/17/26/93/554172693.db2.gz PWHZNZFMILBUQO-UHFFFAOYSA-N 0 0 450.582 1.769 50 0 JDAARN CCOC(=O)C1=C(N)OC(C)=C(C(=O)OC(C)(C)C)[C@@]12c1ccccc1N(CC(=O)OC)C2=O ZINC000002483490 554226029 /nfs/dbraw/zinc/22/60/29/554226029.db2.gz SLCJVPIYPBYTLE-DEOSSOPVSA-N 0 0 472.494 1.823 50 0 JDAARN CCOC(=O)C1=C(N)N2C(=O)[C@H](C)SC2=C(C(=O)OC)[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000002492186 554227298 /nfs/dbraw/zinc/22/72/98/554227298.db2.gz XSRUHMMAYYBYET-IINYFYTJSA-N 0 0 478.523 1.892 50 0 JDAARN 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Cc1c(NS(=O)(=O)c2cccc(C(=O)N3CCN(C)CC3)c2)c(=O)n(-c2ccccc2)n1C ZINC000002653583 554269661 /nfs/dbraw/zinc/26/96/61/554269661.db2.gz UAKJBVIHCKDTNC-UHFFFAOYSA-N 0 0 469.567 1.673 50 0 JDAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)CSCc3cc(=O)n4ccsc4n3)CC2)cc1 ZINC000002655116 554271128 /nfs/dbraw/zinc/27/11/28/554271128.db2.gz NGIBOORPSCALDE-UHFFFAOYSA-N 0 0 478.621 1.831 50 0 JDAARN COc1ccc(NC(=O)CSc2nc3c(cnn3-c3ccc(S(N)(=O)=O)cc3)c(=O)[nH]2)cc1 ZINC000002718469 554303952 /nfs/dbraw/zinc/30/39/52/554303952.db2.gz OBJUQATWWHEXTK-UHFFFAOYSA-N 0 0 486.535 1.908 50 0 JDAARN CCCCN1C(=O)c2ccc(C(=O)OCC(=O)NCCc3ccc(S(N)(=O)=O)cc3)cc2C1=O ZINC000002726248 554312390 /nfs/dbraw/zinc/31/23/90/554312390.db2.gz UNEREHHAHCDCNS-UHFFFAOYSA-N 0 0 487.534 1.246 50 0 JDAARN COc1ccc(NC(=O)C[C@H]2C(=O)N(C)C(=S)N2CCc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000002729379 554314051 /nfs/dbraw/zinc/31/40/51/554314051.db2.gz ZNYPWDHTNAAPAH-SFHVURJKSA-N 0 0 476.580 1.341 50 0 JDAARN 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Cc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)Nc1cccc(N2CCCS2(=O)=O)c1 ZINC000011906395 555854184 /nfs/dbraw/zinc/85/41/84/555854184.db2.gz NJYCBDQDANYRCU-UHFFFAOYSA-N 0 0 499.592 1.402 50 0 JDAARN Cc1cc(N2C(=O)CCS2(=O)=O)cc(C)c1S(=O)(=O)Nc1ccc2c(c1)OCCO2 ZINC000011906456 555854538 /nfs/dbraw/zinc/85/45/38/555854538.db2.gz RUUBLFXZTIYYCQ-UHFFFAOYSA-N 0 0 452.510 1.942 50 0 JDAARN O=C1CCS(=O)(=O)N1c1ccc(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000011907005 555854868 /nfs/dbraw/zinc/85/48/68/555854868.db2.gz XVBWXPWAXYJWCF-UHFFFAOYSA-N 0 0 469.972 1.917 50 0 JDAARN COc1ccccc1N1CCN(S(=O)(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2)CC1 ZINC000011907002 555854989 /nfs/dbraw/zinc/85/49/89/555854989.db2.gz DUTCFMBRZCEEBI-UHFFFAOYSA-N 0 0 465.553 1.273 50 0 JDAARN COC(=O)[C@@H]1CCCN1C(=O)c1c(OC)cc(=O)n2c1CCN(C(=O)c1cc3ccccc3[nH]1)CC2 ZINC000011910148 555857361 /nfs/dbraw/zinc/85/73/61/555857361.db2.gz KLEIUVSEUMBXPK-FQEVSTJZSA-N 0 0 492.532 1.814 50 0 JDAARN CN(C(=O)COC(=O)C=Cc1ccc2c(c1)OCO2)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000021978501 555858891 /nfs/dbraw/zinc/85/88/91/555858891.db2.gz GAISCDIYZHGWGP-CSKARUKUSA-N 0 0 478.461 1.115 50 0 JDAARN CCN(C(=O)COC(=O)COc1ccccc1Cl)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000021982585 555859515 /nfs/dbraw/zinc/85/95/15/555859515.db2.gz BBSMJDKYKOJVOK-UHFFFAOYSA-N 0 0 486.912 1.796 50 0 JDAARN CCN(C(=O)COC(=O)C=Cc1ccc(C)o1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000021989860 555859875 /nfs/dbraw/zinc/85/98/75/555859875.db2.gz MNXUROZPTLYQOK-VAWYXSNFSA-N 0 0 452.467 1.678 50 0 JDAARN COCCN1C(=O)C[C@@](CC(=O)N2CCC[C@@H](C(=O)c3nccn3C)C2)(c2ccccc2F)C1=O ZINC000011911911 555860008 /nfs/dbraw/zinc/86/00/08/555860008.db2.gz JZRTXWXWUSIQHT-NSYGIPOTSA-N 0 0 484.528 1.714 50 0 JDAARN COc1ccccc1N1CCN(C2=C(C(=O)N3CCOCC3)S(=O)(=O)c3ccccc32)CC1 ZINC000015019205 555860498 /nfs/dbraw/zinc/86/04/98/555860498.db2.gz DTHABZPFQQYETK-UHFFFAOYSA-N 0 0 469.563 1.832 50 0 JDAARN COc1cc(=O)n2c(c1C(=O)NCc1ccc3c(c1)OCO3)CCN(C(=O)Cc1cccnc1)CC2 ZINC000011912332 555861032 /nfs/dbraw/zinc/86/10/32/555861032.db2.gz UPMURVUTGIMOES-UHFFFAOYSA-N 0 0 490.516 1.538 50 0 JDAARN Cn1c(CN(c2ccccc2)S(C)(=O)=O)nnc1SCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000015019746 555862431 /nfs/dbraw/zinc/86/24/31/555862431.db2.gz FOZCIWMBNPCLHR-UHFFFAOYSA-N 0 0 487.567 1.682 50 0 JDAARN CCN(C(=O)COC(=O)CCC(=O)c1ccccc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000022025954 555864243 /nfs/dbraw/zinc/86/42/43/555864243.db2.gz ANOSKPFCKGYJBE-UHFFFAOYSA-N 0 0 478.505 1.726 50 0 JDAARN COc1cc(=O)n2c(c1C(=O)N(C)Cc1nonc1C)CCN(C(=O)C1(c3ccccc3)CC1)CC2 ZINC000015066871 555867091 /nfs/dbraw/zinc/86/70/91/555867091.db2.gz TVABJJXCVMLTQO-UHFFFAOYSA-N 0 0 491.548 1.937 50 0 JDAARN O=C(CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O)Nc1ccccc1S(=O)(=O)C(F)F ZINC000022063066 555868198 /nfs/dbraw/zinc/86/81/98/555868198.db2.gz MIZQRFLXROCVRE-HXUWFJFHSA-N 0 0 465.434 1.851 50 0 JDAARN C[C@@]1(c2ccc3c(c2)OCCO3)NC(=O)N(CC(=O)N(CCC(N)=O)Cc2ccccc2)C1=O ZINC000022063698 555868318 /nfs/dbraw/zinc/86/83/18/555868318.db2.gz NCJFDWMYPKYPJF-DEOSSOPVSA-N 0 0 466.494 1.129 50 0 JDAARN COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)N2CC(=O)Nc3ccccc32)CC1 ZINC000022064327 555868555 /nfs/dbraw/zinc/86/85/55/555868555.db2.gz MAKDPYFYUAKKRK-UHFFFAOYSA-N 0 0 457.508 1.859 50 0 JDAARN NS(=O)(=O)c1ccc2c(c1)CCN2CC(=O)Nc1cc2c(cc1Br)OCCO2 ZINC000022065317 555868974 /nfs/dbraw/zinc/86/89/74/555868974.db2.gz BUEVSWQFUPZUGG-UHFFFAOYSA-N 0 0 468.329 1.869 50 0 JDAARN COC(=O)CC[C@H](NC(=O)C[C@@]1(c2ccc(OC)cc2)CC(=O)N(C2CCCC2)C1=O)C(=O)OC ZINC000015070151 555869815 /nfs/dbraw/zinc/86/98/15/555869815.db2.gz NNDZWRFXWKRLMY-DFBJGRDBSA-N 0 0 488.537 1.636 50 0 JDAARN COc1cc(=O)n2c(c1C(=O)N1CCc3ccccc3C1)CCN(C(=O)c1cnsn1)CC2 ZINC000011966555 555872150 /nfs/dbraw/zinc/87/21/50/555872150.db2.gz MNARXHDSZFSALI-UHFFFAOYSA-N 0 0 465.535 1.605 50 0 JDAARN CCn1c(CCC(=O)NCCc2nnc3ccccn32)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000022086691 555872485 /nfs/dbraw/zinc/87/24/85/555872485.db2.gz KREBDZZTPDHAAW-UHFFFAOYSA-N 0 0 469.571 1.641 50 0 JDAARN CCNS(=O)(=O)c1cccc(C(=O)OCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2CC)c1 ZINC000022083781 555872586 /nfs/dbraw/zinc/87/25/86/555872586.db2.gz JTDCESOHXJUIQQ-UHFFFAOYSA-N 0 0 494.595 1.962 50 0 JDAARN Cn1c2nc3n(cc(CN4C(=O)c5ccccc5C4=O)n3C3CCCCC3)c2c(=O)n(C)c1=O ZINC000015080905 555872622 /nfs/dbraw/zinc/87/26/22/555872622.db2.gz NTCARXOTLOGNNJ-UHFFFAOYSA-N 0 0 460.494 1.988 50 0 JDAARN CC(C)N1C(=O)C(=O)N(CC(=O)N(C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C1=O ZINC000022083806 555872658 /nfs/dbraw/zinc/87/26/58/555872658.db2.gz GJMNMGCKODGNJC-UHFFFAOYSA-N 0 0 462.812 1.955 50 0 JDAARN O=C(CNC(=O)c1ccc(N2CCCC2=O)cc1)N1CCN(CCOc2ccccc2)CC1 ZINC000022088969 555872990 /nfs/dbraw/zinc/87/29/90/555872990.db2.gz PJWUEYNGXYXJMM-UHFFFAOYSA-N 0 0 450.539 1.766 50 0 JDAARN COc1cc(C)c(CN2CCN(C(=O)CSc3nnnn3C[C@H]3CCCO3)CC2)cc1OC ZINC000022093230 555873353 /nfs/dbraw/zinc/87/33/53/555873353.db2.gz 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Cc1c(C)n2c(nc3c2c(=O)n(Cc2ccc(Cl)cc2)c(=O)n3C)n1CCN1CCOCC1 ZINC000022406707 555929529 /nfs/dbraw/zinc/92/95/29/555929529.db2.gz DZLDUZCTFFPXJK-UHFFFAOYSA-N 0 0 470.961 1.800 50 0 JDAARN Cc1c(C)n2c(nc3c2c(=O)n(Cc2ccccc2F)c(=O)n3C)n1CCN1CCOCC1 ZINC000022409188 555929966 /nfs/dbraw/zinc/92/99/66/555929966.db2.gz NINUAGDTKAEGAS-UHFFFAOYSA-N 0 0 454.506 1.286 50 0 JDAARN Cc1c(C)n(-c2cc(C)ccc2C)c2nc3c(c(=O)n(CCN4CCOCC4)c(=O)n3C)n12 ZINC000022409257 555930234 /nfs/dbraw/zinc/93/02/34/555930234.db2.gz BYMRMBGKXZWZQZ-UHFFFAOYSA-N 0 0 450.543 1.704 50 0 JDAARN O=C(COc1ccc(Cl)cc1)NCCCS(=O)(=O)N1CCN(c2ncccn2)CC1 ZINC000012164444 555932275 /nfs/dbraw/zinc/93/22/75/555932275.db2.gz LUJZBWZSAUNFII-UHFFFAOYSA-N 0 0 453.952 1.167 50 0 JDAARN Cc1cccc(N(C)S(=O)(=O)c2nnc(NC(=O)CN3C(=O)c4ccccc4C3=O)s2)c1 ZINC000015674594 555933217 /nfs/dbraw/zinc/93/32/17/555933217.db2.gz UZRRIVOUHMTVLB-UHFFFAOYSA-N 0 0 471.520 1.906 50 0 JDAARN CCOc1ccccc1CNC(=O)[C@@H]1CCCN(S(=O)(=O)N2CCC3(CC2)OCCO3)C1 ZINC000015677791 555941871 /nfs/dbraw/zinc/94/18/71/555941871.db2.gz FNMSQPOMOCZJCK-LJQANCHMSA-N 0 0 467.588 1.497 50 0 JDAARN COc1cc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)NC(=O)CO3)cc(OC)c1OC ZINC000015677727 555941951 /nfs/dbraw/zinc/94/19/51/555941951.db2.gz WFRAYJXJCFLYDH-UHFFFAOYSA-N 0 0 450.469 1.846 50 0 JDAARN COC(=O)C[C@@H]1C(=O)NCCN1C(=O)CC[C@@]1(Cc2ccc3ccccc3c2)CCC(=O)N1 ZINC000012212740 555943588 /nfs/dbraw/zinc/94/35/88/555943588.db2.gz QQLCDGZULUGJPK-CJFMBICVSA-N 0 0 451.523 1.701 50 0 JDAARN COC(=O)C[C@H]1C(=O)NCCN1C(=O)CC[C@]1(Cc2ccc3ccccc3c2)CCC(=O)N1 ZINC000012212742 555943674 /nfs/dbraw/zinc/94/36/74/555943674.db2.gz QQLCDGZULUGJPK-CPJSRVTESA-N 0 0 451.523 1.701 50 0 JDAARN COc1cccc(N2CCN(C(=O)CCNS(=O)(=O)c3ccc4[nH]c(=O)ccc4c3)CC2)c1 ZINC000015678662 555944488 /nfs/dbraw/zinc/94/44/88/555944488.db2.gz BYVNUZXFIMHAKM-UHFFFAOYSA-N 0 0 470.551 1.554 50 0 JDAARN CN(C)S(=O)(=O)c1cc(C(=O)N2CCN(c3ncccn3)CC2)ccc1Br ZINC000015701071 555952481 /nfs/dbraw/zinc/95/24/81/555952481.db2.gz YUKASQWZWHBDGC-UHFFFAOYSA-N 0 0 454.350 1.452 50 0 JDAARN COc1ccc(NC(=O)C(=O)N2CCC3(CC2)OCCN3S(=O)(=O)c2ccccc2)cc1 ZINC000012342424 555955481 /nfs/dbraw/zinc/95/54/81/555955481.db2.gz QCGHMPXOXGGMSJ-UHFFFAOYSA-N 0 0 459.524 1.674 50 0 JDAARN Cc1ccc(S(=O)(=O)N2CCOC23CCN(C(=O)C(=O)NCc2ccc(F)cc2)CC3)cc1 ZINC000012342422 555955504 /nfs/dbraw/zinc/95/55/04/555955504.db2.gz PNTTWSFOBIRKDO-UHFFFAOYSA-N 0 0 475.542 1.790 50 0 JDAARN COCCCNC(=O)C(=O)NC[C@@H](c1ccc2c(c1)OCO2)N1CCN(c2ccc(F)cc2)CC1 ZINC000022851467 555957526 /nfs/dbraw/zinc/95/75/26/555957526.db2.gz PXQNRMHOISOLQA-NRFANRHFSA-N 0 0 486.544 1.687 50 0 JDAARN O=C(NC[C@H](c1ccc2c(c1)OCO2)N1CCN(c2ccccc2F)CC1)C(=O)NC[C@H]1CCCO1 ZINC000022851585 555958307 /nfs/dbraw/zinc/95/83/07/555958307.db2.gz ZOSSUOJYNXBUNU-DENIHFKCSA-N 0 0 498.555 1.829 50 0 JDAARN O=C(NC[C@H](c1ccc2c(c1)OCO2)N1CCN(c2ccccc2F)CC1)C(=O)NC1CC1 ZINC000022851617 555958330 /nfs/dbraw/zinc/95/83/30/555958330.db2.gz PCDODIQVWFHNCJ-HXUWFJFHSA-N 0 0 454.502 1.813 50 0 JDAARN Cc1ccc(CNC(=O)[C@]2(C)Cn3nc(C(=O)N4CCC5(CC4)OCCO5)cc3C(=O)N2C)cc1 ZINC000015723840 555958663 /nfs/dbraw/zinc/95/86/63/555958663.db2.gz FCLIMSVCOGKKCG-DEOSSOPVSA-N 0 0 481.553 1.331 50 0 biogenic JDAARN CCN1C(=O)c2cc(C(=O)N3CCC4(CC3)OCCO4)nn2C[C@]1(C)C(=O)NC1CCCC1 ZINC000015723860 555958952 /nfs/dbraw/zinc/95/89/52/555958952.db2.gz ODHDLRIERWFNLG-JOCHJYFZSA-N 0 0 459.547 1.155 50 0 biogenic JDAARN CCN1C(=O)c2cc(C(=O)N3CCC4(CC3)OCCO4)nn2C[C@@]1(C)C(=O)NC1CCCC1 ZINC000015723857 555958976 /nfs/dbraw/zinc/95/89/76/555958976.db2.gz ODHDLRIERWFNLG-QFIPXVFZSA-N 0 0 459.547 1.155 50 0 biogenic JDAARN CCCN1C(=O)c2cc(C(=O)N3CCC4(CC3)OCCO4)nn2C[C@]1(C)C(=O)NC1CCCC1 ZINC000015723882 555959003 /nfs/dbraw/zinc/95/90/03/555959003.db2.gz ZVEYPGHWHYCOKG-HSZRJFAPSA-N 0 0 473.574 1.546 50 0 biogenic JDAARN CC(=O)OC[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)C(=O)c1ccccc1 ZINC000012368282 555960732 /nfs/dbraw/zinc/96/07/32/555960732.db2.gz GXCYBJAMCHUZBF-YJMBLLCNSA-N 0 0 466.439 1.159 50 0 JDAARN O=C(NCc1ccc2c(c1)OCO2)c1nc(Cn2cc(I)cn2)no1 ZINC000012375099 555962232 /nfs/dbraw/zinc/96/22/32/555962232.db2.gz GUUHSFKQRIBGPL-UHFFFAOYSA-N 0 0 453.196 1.578 50 0 JDAARN O=C(N[C@@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2CCc1ccccc1)c1ccccc1 ZINC000012376352 555963810 /nfs/dbraw/zinc/96/38/10/555963810.db2.gz JUVGXJWYPYTOTH-OAQYLSRUSA-N 0 0 458.396 1.919 50 0 JDAARN COc1ccc(C(=O)NCC(=O)N2CCN(Cc3nc4ccccc4c(=O)[nH]3)CC2)cc1OC ZINC000022892616 555964190 /nfs/dbraw/zinc/96/41/90/555964190.db2.gz DZYCUIBKSHZHNC-UHFFFAOYSA-N 0 0 465.510 1.015 50 0 JDAARN O=C(Nc1ccc(N2CCCS2(=O)=O)cc1)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1 ZINC000022900383 555964483 /nfs/dbraw/zinc/96/44/83/555964483.db2.gz HKISCMSQCBRLOK-IBGZPJMESA-N 0 0 479.580 1.936 50 0 JDAARN O=C(CCNS(=O)(=O)c1ccc(F)cc1)N1CCN(Cc2nc(-c3ccsc3)no2)CC1 ZINC000022901607 555964825 /nfs/dbraw/zinc/96/48/25/555964825.db2.gz OXYKONJPZGLPSY-UHFFFAOYSA-N 0 0 479.559 1.950 50 0 JDAARN O=C(NCCCN1CCOCC1)C(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1cccs1)CCC2 ZINC000022908569 555965670 /nfs/dbraw/zinc/96/56/70/555965670.db2.gz UNJHYUIMKFLQEN-UHFFFAOYSA-N 0 0 492.623 1.667 50 0 JDAARN O=C(NCCN1CCOCC1)C(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1cccs1)CCC2 ZINC000022908572 555965690 /nfs/dbraw/zinc/96/56/90/555965690.db2.gz JODHRVBJDNDXDQ-UHFFFAOYSA-N 0 0 478.596 1.277 50 0 JDAARN COC(=O)c1ccc(NC(=O)CSc2nc(=O)n(CCCN3CCOCC3)c3c2CCC3)cc1 ZINC000022908984 555966019 /nfs/dbraw/zinc/96/60/19/555966019.db2.gz FFNDOKHRIRBLJO-UHFFFAOYSA-N 0 0 486.594 1.972 50 0 JDAARN O=C(Cn1c(=O)sc2cc(S(=O)(=O)N3CCOCC3)ccc21)N1CCc2ccccc2C1 ZINC000012377430 555966043 /nfs/dbraw/zinc/96/60/43/555966043.db2.gz HCZLOYHDOHRKAF-UHFFFAOYSA-N 0 0 473.576 1.669 50 0 biogenic,in-vitro JDAARN CCOC(=O)c1cc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2nnc(SCC)s2)cn1C ZINC000015728964 555969102 /nfs/dbraw/zinc/96/91/02/555969102.db2.gz JJSFXXUJSSCPEA-GFCCVEGCSA-N 0 0 473.602 1.957 50 0 JDAARN Cc1nc(C)c(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)[C@H](C)O4)CC2)s1 ZINC000015729860 555970672 /nfs/dbraw/zinc/97/06/72/555970672.db2.gz WIRDTGOCUXPQOL-LBPRGKRZSA-N 0 0 450.542 1.626 50 0 JDAARN COc1ccc(S(=O)(=O)N2CCN(CCNC(=O)c3ccc(Br)o3)CC2)cc1 ZINC000015730008 555970991 /nfs/dbraw/zinc/97/09/91/555970991.db2.gz YOVDWKWGDGFABX-UHFFFAOYSA-N 0 0 472.361 1.787 50 0 JDAARN COc1ccccc1CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)NC(=O)[C@H](C)O2 ZINC000015730129 555971507 /nfs/dbraw/zinc/97/15/07/555971507.db2.gz OBIQOEGRBQPBTF-KSSFIOAISA-N 0 0 459.524 1.884 50 0 JDAARN Cc1ccc(NC(=O)CN2CCN(Cc3ccccc3)CC2)cc1S(=O)(=O)N1CCOCC1 ZINC000022917830 555971491 /nfs/dbraw/zinc/97/14/91/555971491.db2.gz PQOLZORKTPMFAU-UHFFFAOYSA-N 0 0 472.611 1.772 50 0 JDAARN O=C(CN1CCN(CC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)CC1)Nc1cccc(F)c1 ZINC000022919641 555973294 /nfs/dbraw/zinc/97/32/94/555973294.db2.gz IZHISOYNVLKSPU-NRFANRHFSA-N 0 0 480.606 1.340 50 0 JDAARN CCN(C(=O)CN1CCN(Cc2cccc(C)c2)CC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000022919238 555973338 /nfs/dbraw/zinc/97/33/38/555973338.db2.gz DIDAEKDBFZBTFX-UHFFFAOYSA-N 0 0 490.608 1.646 50 0 JDAARN NC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@@H](C(=O)Nc2ccccc2C(F)(F)F)CC(=O)N3)CC1 ZINC000012390280 555973454 /nfs/dbraw/zinc/97/34/54/555973454.db2.gz WZFTZHLATOFFNG-NSHDSACASA-N 0 0 478.431 1.555 50 0 JDAARN Cc1cc(CN2CCN([C@@H](C)C(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)CC2)no1 ZINC000022919691 555973723 /nfs/dbraw/zinc/97/37/23/555973723.db2.gz FZVOODNJLPIDRK-SFHVURJKSA-N 0 0 461.588 1.912 50 0 JDAARN NC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@@H](C(=O)Nc2cccc(Cl)c2Cl)CC(=O)N3)CC1 ZINC000012391414 555974662 /nfs/dbraw/zinc/97/46/62/555974662.db2.gz SWSLGGBGVTUSDX-JTQLQIEISA-N 0 0 479.324 1.843 50 0 JDAARN Cc1cc(CN2CCN([C@H](C)C(=O)Nc3cccc(S(=O)(=O)N4CCOCC4)c3)CC2)no1 ZINC000022921833 555975444 /nfs/dbraw/zinc/97/54/44/555975444.db2.gz CQSKUGIKUXKUQE-GOSISDBHSA-N 0 0 477.587 1.149 50 0 JDAARN O=C(CN1CCN(CC(=O)N(c2ccccc2)[C@H]2CCS(=O)(=O)C2)CC1)Nc1cccc(F)c1 ZINC000022921657 555975455 /nfs/dbraw/zinc/97/54/55/555975455.db2.gz QDEMYKGUJJOILG-QFIPXVFZSA-N 0 0 488.585 1.602 50 0 JDAARN Cc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000022923845 555976116 /nfs/dbraw/zinc/97/61/16/555976116.db2.gz LBEPNYNTPHTOIS-REWPJTCUSA-N 0 0 492.619 1.481 50 0 JDAARN O=S(=O)(c1ccccc1)[C@H]1CS(=O)(=O)C[C@@H]1N1CCN(C/C=C/c2ccccc2)CC1 ZINC000022923840 555976198 /nfs/dbraw/zinc/97/61/98/555976198.db2.gz BJLYHIYBOFWWCJ-POLKFFICSA-N 0 0 460.621 1.957 50 0 JDAARN CN1CCN([C@H](CNc2ccc(S(C)(=O)=O)cc2S(C)(=O)=O)c2cccs2)CC1 ZINC000022924981 555977364 /nfs/dbraw/zinc/97/73/64/555977364.db2.gz NTZGCLDGUFHMHP-QGZVFWFLSA-N 0 0 457.643 1.956 50 0 JDAARN COc1ccc(CN2CCN([C@@H](C)C(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)CC2)cc1 ZINC000022926384 555977886 /nfs/dbraw/zinc/97/78/86/555977886.db2.gz ZPUZTIVHVXVUHC-NRFANRHFSA-N 0 0 486.638 1.734 50 0 JDAARN C=C1C(N2CCC(C(=O)NCCN3CCOCC3)CC2)=NS(=O)(=O)C1c1ccc(Cl)cc1 ZINC000015732998 555977952 /nfs/dbraw/zinc/97/79/52/555977952.db2.gz UJUYVELOSGDWBI-UHFFFAOYSA-N 0 0 481.018 1.973 50 0 JDAARN 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/nfs/dbraw/zinc/07/13/78/556071378.db2.gz ZKXICADPXZVULO-JOCHJYFZSA-N 0 0 475.954 1.558 50 0 JDAARN COc1ccccc1C(=O)NCC(=O)OCCCOC(=O)CNC(=O)c1ccccc1OC ZINC000015934632 556071852 /nfs/dbraw/zinc/07/18/52/556071852.db2.gz NEIWKJVQWHAGAV-UHFFFAOYSA-N 0 0 458.467 1.340 50 0 JDAARN CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000023462202 556072729 /nfs/dbraw/zinc/07/27/29/556072729.db2.gz AVSKKSJTZIVWFL-SFHVURJKSA-N 0 0 457.485 1.745 50 0 JDAARN Cc1cccc(N2CCN(C(=O)CCNS(=O)(=O)c3ccc4c(c3)oc(=O)n4C)C[C@H]2C)c1 ZINC000015935606 556073506 /nfs/dbraw/zinc/07/35/06/556073506.db2.gz IQBMMFDDKQNCHP-QGZVFWFLSA-N 0 0 472.567 1.846 50 0 JDAARN CCOC(=O)N1CCN(S(=O)(=O)N2CCC[C@H](C(=O)NCCc3ccc(C)cc3)C2)CC1 ZINC000015935581 556073552 /nfs/dbraw/zinc/07/35/52/556073552.db2.gz CZSFIWOGPBJSCO-FQEVSTJZSA-N 0 0 466.604 1.385 50 0 JDAARN COc1ccc(NC(=O)CCNS(=O)(=O)c2cc(Br)cnc2N)c(OC)c1 ZINC000015936323 556073869 /nfs/dbraw/zinc/07/38/69/556073869.db2.gz PDHKUEBAVPIEDN-UHFFFAOYSA-N 0 0 459.322 1.751 50 0 JDAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccco3)CC2)NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000015936294 556073971 /nfs/dbraw/zinc/07/39/71/556073971.db2.gz KXFBYQQWLNTXBC-OAQYLSRUSA-N 0 0 468.510 1.917 50 0 JDAARN CCOc1ccc(OCC)c(-c2csc(NC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)n2)c1 ZINC000012573124 556074118 /nfs/dbraw/zinc/07/41/18/556074118.db2.gz VVSHIFJPKDQCDA-UHFFFAOYSA-N 0 0 484.538 1.993 50 0 JDAARN COc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)cc1OC ZINC000023472849 556074140 /nfs/dbraw/zinc/07/41/40/556074140.db2.gz KGFFVLJOCWINMM-VWLOTQADSA-N 0 0 493.520 1.907 50 0 JDAARN CCOC(=O)N1CCN(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccc(OC)cc3)C2)CC1 ZINC000015936759 556074466 /nfs/dbraw/zinc/07/44/66/556074466.db2.gz XLILFOLCYDUHDM-SFHVURJKSA-N 0 0 468.576 1.042 50 0 JDAARN CCOC(=O)N1CCN(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccc(OC)cc3)C2)CC1 ZINC000015936757 556074546 /nfs/dbraw/zinc/07/45/46/556074546.db2.gz XLILFOLCYDUHDM-GOSISDBHSA-N 0 0 468.576 1.042 50 0 JDAARN CCOC(=O)N1CCN(C(=O)CS(=O)(=O)Cc2nc(-c3cccc(OC)c3)oc2C)CC1 ZINC000015937026 556074886 /nfs/dbraw/zinc/07/48/86/556074886.db2.gz FTMHZLCKUMVTQJ-UHFFFAOYSA-N 0 0 465.528 1.874 50 0 JDAARN O=C(NCC1(N2CCOCC2)CCCCC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000023486669 556075422 /nfs/dbraw/zinc/07/54/22/556075422.db2.gz FDKGFZYRTXUECM-UHFFFAOYSA-N 0 0 451.589 1.472 50 0 JDAARN Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)N3CCN(S(=O)(=O)c4cccc(F)c4)CC3)C2=O)cc1 ZINC000015940482 556075645 /nfs/dbraw/zinc/07/56/45/556075645.db2.gz UJYLYDJTRWLOFW-HSZRJFAPSA-N 0 0 488.541 1.434 50 0 JDAARN CC(C)Cn1c(N)c(C(=O)COC(=O)COc2cccc(C(F)(F)F)c2)c(=O)n(C)c1=O ZINC000015940604 556075707 /nfs/dbraw/zinc/07/57/07/556075707.db2.gz GNAUZIIPAUTCLG-UHFFFAOYSA-N 0 0 457.405 1.609 50 0 JDAARN CCOC(=O)C1CCN(C(=O)Cn2c3ccc(S(=O)(=O)N4CCCC4)cc3oc2=O)CC1 ZINC000015941250 556075914 /nfs/dbraw/zinc/07/59/14/556075914.db2.gz XUTIWPRMGRZXHB-UHFFFAOYSA-N 0 0 465.528 1.181 50 0 JDAARN COc1ccc(Nc2nc(COC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)cs2)cc1 ZINC000023515468 556076398 /nfs/dbraw/zinc/07/63/98/556076398.db2.gz ZNUGKWXXONTUNK-UHFFFAOYSA-N 0 0 456.484 1.386 50 0 JDAARN CCOC(=O)c1c(C)n(C)c(C)c1S(=O)(=O)NCC(=O)N1CCN(c2cccc(OC)c2)CC1 ZINC000015941358 556076342 /nfs/dbraw/zinc/07/63/42/556076342.db2.gz FZGIGIKIJJIAGY-UHFFFAOYSA-N 0 0 492.598 1.454 50 0 JDAARN CCN(CC)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)NCc3nnc4ccccn43)CC2=O)cc1 ZINC000012577126 556076433 /nfs/dbraw/zinc/07/64/33/556076433.db2.gz KXGOEAKHDUJZDL-INIZCTEOSA-N 0 0 470.555 1.429 50 0 JDAARN COc1cc(OC)c([C@H]2Nc3cc(Cl)c(S(N)(=O)=O)cc3S(=O)(=O)N2)cc1OC ZINC000012578308 556077362 /nfs/dbraw/zinc/07/73/62/556077362.db2.gz USSBCMNBMZEMMI-INIZCTEOSA-N 0 0 463.921 1.416 50 0 JDAARN COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)Cn1cnc3c1c(=O)n(C)c(=O)n3C)CC2 ZINC000012578966 556077607 /nfs/dbraw/zinc/07/76/07/556077607.db2.gz GOXJWSUKPYPMRY-FQEVSTJZSA-N 0 0 495.561 1.687 50 0 JDAARN CCCCn1c(CN2C[C@@H](C(N)=O)Oc3ccccc32)nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 ZINC000012579372 556078119 /nfs/dbraw/zinc/07/81/19/556078119.db2.gz GHKWRSGIYHOWCI-FQEVSTJZSA-N 0 0 488.548 1.988 50 0 JDAARN CCn1c(COC(=O)C[C@](C)(O)C(F)(F)F)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000012580596 556078786 /nfs/dbraw/zinc/07/87/86/556078786.db2.gz GARQBHANEUKCAQ-SFHVURJKSA-N 0 0 479.477 1.824 50 0 JDAARN CS(=O)(=O)c1nc(S(=O)(=O)c2ccc(Cl)cc2)c(NCCN2CCOCC2)s1 ZINC000015943700 556079468 /nfs/dbraw/zinc/07/94/68/556079468.db2.gz MWGPJTBFMVXHLK-UHFFFAOYSA-N 0 0 466.006 1.777 50 0 JDAARN CCCCn1c(N)c(N2CCOCC2)c(=O)n(CC(=O)Nc2ccc3c(c2)OCCCO3)c1=O ZINC000012582533 556080087 /nfs/dbraw/zinc/08/00/87/556080087.db2.gz QTETYOOQBKFRCN-UHFFFAOYSA-N 0 0 473.530 1.029 50 0 JDAARN COC(=O)C1=C(N)Oc2cc(C)n(CCN3CCOCC3)c(=O)c2[C@@H]1c1ccc2c(c1)OCO2 ZINC000023666992 556082702 /nfs/dbraw/zinc/08/27/02/556082702.db2.gz LELJXKLINANUON-IBGZPJMESA-N 0 0 469.494 1.085 50 0 JDAARN CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NC[C@H]1COc3ccccc3O1)n2C ZINC000012585278 556082996 /nfs/dbraw/zinc/08/29/96/556082996.db2.gz DOKIXVVEJJEGQT-HNNXBMFYSA-N 0 0 458.540 1.712 50 0 JDAARN O=C(CN1CCN(c2ccc(C(F)(F)F)cn2)CC1)NN1C(=O)NC2(CCCCC2)C1=O ZINC000023675304 556082966 /nfs/dbraw/zinc/08/29/66/556082966.db2.gz WYIHNEXSRPTMOK-UHFFFAOYSA-N 0 0 454.453 1.508 50 0 JDAARN COc1cc(C(=O)NCC2(N3CCOCC3)CCCCC2)ccc1OCC(=O)N1CCOCC1 ZINC000023703198 556084589 /nfs/dbraw/zinc/08/45/89/556084589.db2.gz CKRCKEFKQUFBJR-UHFFFAOYSA-N 0 0 475.586 1.698 50 0 JDAARN O=C(CCN1C(=O)CSc2ccccc21)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 ZINC000023702950 556084659 /nfs/dbraw/zinc/08/46/59/556084659.db2.gz FZSYAMAFHZQXAY-UHFFFAOYSA-N 0 0 469.592 1.929 50 0 JDAARN O=C(CCNS(=O)(=O)c1cccc(C(F)(F)F)c1)NN1C(=O)NC2(CCCCC2)C1=O ZINC000023718236 556085384 /nfs/dbraw/zinc/08/53/84/556085384.db2.gz VXLCWSCHLAYULD-UHFFFAOYSA-N 0 0 462.450 1.660 50 0 JDAARN CC(=O)c1ccc(S(=O)(=O)N2CCN(CN3C(=O)NC4(CCCCCC4)C3=O)CC2)cc1 ZINC000023718734 556085803 /nfs/dbraw/zinc/08/58/03/556085803.db2.gz HZBWXRFTSAGNAK-UHFFFAOYSA-N 0 0 462.572 1.798 50 0 JDAARN CCN(CC)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)N3CCN(C[C@H]4CCCO4)CC3)CC2=O)cc1 ZINC000023732397 556086003 /nfs/dbraw/zinc/08/60/03/556086003.db2.gz YJNPOTFIHSUYDT-PZJWPPBQSA-N 0 0 492.642 1.393 50 0 JDAARN CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N3CCN(Cc4cccs4)CC3)c2)CC1 ZINC000023735424 556086430 /nfs/dbraw/zinc/08/64/30/556086430.db2.gz RVJQGXHBPDGTAY-UHFFFAOYSA-N 0 0 476.624 1.559 50 0 JDAARN CCN(CC)S(=O)(=O)c1ccc(N2C[C@H](C(=O)N3CCN(C[C@H]4CCCO4)CC3)CC2=O)cc1 ZINC000023732400 556086501 /nfs/dbraw/zinc/08/65/01/556086501.db2.gz YJNPOTFIHSUYDT-TZIWHRDSSA-N 0 0 492.642 1.393 50 0 JDAARN COc1ccc(S(=O)(=O)NCCC(=O)N2CCN(Cc3cccs3)CC2)cc1OC ZINC000023736260 556086505 /nfs/dbraw/zinc/08/65/05/556086505.db2.gz UCWTWBBNKHBSKV-UHFFFAOYSA-N 0 0 453.586 1.778 50 0 JDAARN C[C@@H](C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)N1CCCN(S(C)(=O)=O)CC1 ZINC000012590837 556087003 /nfs/dbraw/zinc/08/70/03/556087003.db2.gz CJCVUCBXESOJBC-HNNXBMFYSA-N 0 0 478.537 1.836 50 0 JDAARN Cc1cccc(CN2CCN(C(=O)CN(C)[C@H](C)C(=O)Nc3ccc(C(N)=O)cc3)CC2)c1 ZINC000023762899 556087960 /nfs/dbraw/zinc/08/79/60/556087960.db2.gz AHMRCWBMIWJBDS-LJQANCHMSA-N 0 0 451.571 1.697 50 0 JDAARN CCc1cccc2c1NC(=O)[C@@]21N[C@H](CC(N)=O)[C@H]2C(=O)N(Cc3ccccc3OC)C(=O)[C@H]21 ZINC000015956620 556088356 /nfs/dbraw/zinc/08/83/56/556088356.db2.gz IJINYSAVVXFPFF-LZISPXOZSA-N 0 0 462.506 1.054 50 0 biogenic JDAARN COc1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)[C@H](CC(N)=O)N[C@@]32c3cc(Cl)cc(C)c3NC2=O)cc1 ZINC000015956692 556088701 /nfs/dbraw/zinc/08/87/01/556088701.db2.gz RTLALERPMMDQFG-DOGKRZLPSA-N 0 0 482.924 1.453 50 0 biogenic JDAARN COc1ccc(CNC(=O)COC(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)cc1OC ZINC000023817857 556089439 /nfs/dbraw/zinc/08/94/39/556089439.db2.gz IENBCOKISSWZBX-QHCPKHFHSA-N 0 0 455.467 1.330 50 0 JDAARN COc1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)[C@@H](CC(N)=O)N[C@@]32c3cc(C)cc(Cl)c3NC2=O)cc1 ZINC000015958590 556090313 /nfs/dbraw/zinc/09/03/13/556090313.db2.gz FKNYZLPNAVUPGM-BKJGLDIHSA-N 0 0 482.924 1.453 50 0 biogenic JDAARN COc1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)[C@@H](CC(N)=O)N[C@@]32c3ccc(C)c(C)c3NC2=O)cc1 ZINC000015958952 556090697 /nfs/dbraw/zinc/09/06/97/556090697.db2.gz PMFKKVJEXDPCGE-WKVINZIJSA-N 0 0 462.506 1.108 50 0 biogenic JDAARN COc1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)[C@@H](CC(N)=O)N[C@@]32c3ccc(Cl)c(C)c3NC2=O)cc1 ZINC000015959136 556090754 /nfs/dbraw/zinc/09/07/54/556090754.db2.gz BMDTUJQSZRATGT-BKJGLDIHSA-N 0 0 482.924 1.453 50 0 biogenic JDAARN COc1ccc(S(=O)(=O)N2CCN(CN3C(=O)C(=O)N(CCc4cccs4)C3=O)CC2)cc1 ZINC000023839894 556090808 /nfs/dbraw/zinc/09/08/08/556090808.db2.gz GDCMLBXPWHWHSI-UHFFFAOYSA-N 0 0 492.579 1.054 50 0 JDAARN COc1ccc([C@]2(C)NC(=O)N(CC(=O)OCC(=O)c3ccc4c(c3)OCCO4)C2=O)cc1 ZINC000023845882 556091626 /nfs/dbraw/zinc/09/16/26/556091626.db2.gz AKAHEPTYOAXOLN-QHCPKHFHSA-N 0 0 454.435 1.660 50 0 JDAARN O=C(CCNS(=O)(=O)c1ccc2c(c1)OCCCO2)N1CCN(Cc2cccs2)CC1 ZINC000023846436 556092078 /nfs/dbraw/zinc/09/20/78/556092078.db2.gz JFBYPISBPVCUNU-UHFFFAOYSA-N 0 0 465.597 1.922 50 0 JDAARN Cc1c2c(ccc1Cl)[C@@]1(N[C@@H](CC(N)=O)[C@H]3C(=O)N(CCc4ccccc4)C(=O)[C@H]31)C(=O)N2 ZINC000015959819 556092151 /nfs/dbraw/zinc/09/21/51/556092151.db2.gz SUTBASSTIJUPRM-DOGKRZLPSA-N 0 0 466.925 1.487 50 0 biogenic JDAARN CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N3CCN(Cc4ccccc4)CC3)c2)CC1 ZINC000023865675 556094047 /nfs/dbraw/zinc/09/40/47/556094047.db2.gz MZNVMRZSUUNSIO-UHFFFAOYSA-N 0 0 470.595 1.497 50 0 JDAARN C[C@@]1(c2ccccc2)NC(=O)N(CN2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1=O ZINC000023865608 556094177 /nfs/dbraw/zinc/09/41/77/556094177.db2.gz VZSZJHKAUPRQPP-QFIPXVFZSA-N 0 0 460.531 1.947 50 0 JDAARN O=C(CSc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cn1)NC[C@H]1CCCO1 ZINC000023865809 556094194 /nfs/dbraw/zinc/09/41/94/556094194.db2.gz LDKJWLAEGKWEQQ-HXUWFJFHSA-N 0 0 490.651 1.975 50 0 JDAARN Cc1cc2c(c(Cl)c1)NC(=O)[C@]21N[C@H](CC(N)=O)[C@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]21 ZINC000015967764 556094237 /nfs/dbraw/zinc/09/42/37/556094237.db2.gz IXDSTUKBLMMVOC-FRLSHVLYSA-N 0 0 496.907 1.173 50 0 biogenic JDAARN NC(=O)C[C@@H]1N[C@@]2(C(=O)Nc3c2cccc3Cl)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@@H]21 ZINC000015968246 556094475 /nfs/dbraw/zinc/09/44/75/556094475.db2.gz FOXOTUJWTVHLJC-XQNUDUSMSA-N 0 0 452.898 1.179 50 0 biogenic JDAARN O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000023866387 556094767 /nfs/dbraw/zinc/09/47/67/556094767.db2.gz VYWVFPMMIQWNAT-UHFFFAOYSA-N 0 0 471.579 1.600 50 0 JDAARN Cc1cc(Cl)cc2c1NC(=O)[C@]21N[C@@H](CC(N)=O)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000015969629 556095673 /nfs/dbraw/zinc/09/56/73/556095673.db2.gz IBJQJMXXEBRGSG-DOGKRZLPSA-N 0 0 466.925 1.487 50 0 biogenic JDAARN COc1ccc(C(C)=O)cc1CS(=O)(=O)CC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000023872946 556095868 /nfs/dbraw/zinc/09/58/68/556095868.db2.gz RJDKFYXARQQUSP-UHFFFAOYSA-N 0 0 488.562 1.886 50 0 JDAARN O=C(c1nn(-c2ccccc2)c(=O)c2ccccc21)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000023872949 556095893 /nfs/dbraw/zinc/09/58/93/556095893.db2.gz LBGLWHMJMKNXTF-SFHVURJKSA-N 0 0 452.536 1.331 50 0 JDAARN Cc1cc2c(c(Cl)c1)NC(=O)[C@@]21N[C@@H](CC(N)=O)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000015969889 556095939 /nfs/dbraw/zinc/09/59/39/556095939.db2.gz NAMMSLZIEDUSTO-NARGUJOISA-N 0 0 466.925 1.487 50 0 biogenic JDAARN O=C1C(=O)N(CN2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)C(=O)N1Cc1ccccc1 ZINC000023873109 556096544 /nfs/dbraw/zinc/09/65/44/556096544.db2.gz XEGPLWLNPWWAII-UHFFFAOYSA-N 0 0 482.562 1.430 50 0 JDAARN O=C1c2ccccc2N(CN2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)C1=O ZINC000023873161 556096573 /nfs/dbraw/zinc/09/65/73/556096573.db2.gz HGCHPOWFAZNBHI-UHFFFAOYSA-N 0 0 457.508 1.341 50 0 JDAARN Nc1[nH]c(=O)[nH]c(=O)c1[C@H](c1cccc(F)c1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000023873222 556096859 /nfs/dbraw/zinc/09/68/59/556096859.db2.gz FHHVTRSUJKWFPW-IBGZPJMESA-N 0 0 473.530 1.022 50 0 JDAARN CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)c2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)C1=O ZINC000023881527 556097759 /nfs/dbraw/zinc/09/77/59/556097759.db2.gz VFFLQDWRCKNLCS-JPYJTQIMSA-N 0 0 486.550 1.646 50 0 JDAARN COc1cc2c(cc1OC)CN(C(=O)c1ccc(S(=O)(=O)N[C@H]3CCS(=O)(=O)C3)cc1)CC2 ZINC000015977157 556098189 /nfs/dbraw/zinc/09/81/89/556098189.db2.gz MKDNPURFDMCBNM-SFHVURJKSA-N 0 0 494.591 1.368 50 0 JDAARN O=S(=O)(c1ccc(N2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)nc1)N1CCOCC1 ZINC000023883347 556098923 /nfs/dbraw/zinc/09/89/23/556098923.db2.gz OOIMERBYPSZIIX-UHFFFAOYSA-N 0 0 484.575 1.143 50 0 JDAARN COCC1=C(C(=O)OC)[C@@]2(c3ccccc3NC2=O)C(C(=O)OCc2ccccc2)=C(N)O1 ZINC000012656297 556099136 /nfs/dbraw/zinc/09/91/36/556099136.db2.gz QBENIHQTLQZUCY-DEOSSOPVSA-N 0 0 450.447 1.894 50 0 biogenic JDAARN C[C@]1(c2ccc3c(c2)OCCO3)NC(=O)N(CN2CCN(S(=O)(=O)c3cccs3)CC2)C1=O ZINC000023907681 556099627 /nfs/dbraw/zinc/09/96/27/556099627.db2.gz SSCJNHQZWIVOMG-OAQYLSRUSA-N 0 0 492.579 1.250 50 0 JDAARN O=C(CSc1nnnn1-c1cccc(F)c1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000023908445 556100095 /nfs/dbraw/zinc/10/00/95/556100095.db2.gz LPMJJGSBQGZARL-UHFFFAOYSA-N 0 0 456.503 1.967 50 0 JDAARN CCN(CN1C(=O)NC(c2ccc(OC)cc2)(c2ccc(OC)cc2)C1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000023908617 556100484 /nfs/dbraw/zinc/10/04/84/556100484.db2.gz TYRWHCBPDHHJQR-LJQANCHMSA-N 0 0 487.578 1.966 50 0 JDAARN Cn1nnnc1SCC(=O)Nc1ccc(C(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)cc1 ZINC000023934736 556101418 /nfs/dbraw/zinc/10/14/18/556101418.db2.gz QEBIZRAJCMCILX-UHFFFAOYSA-N 0 0 493.593 1.834 50 0 JDAARN COC(=O)[C@@H](CC(C)C)NC(=O)C1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C)cc2)CC1 ZINC000015989280 556102029 /nfs/dbraw/zinc/10/20/29/556102029.db2.gz NGOYSXKQJRVJFL-YLJYHZDGSA-N 0 0 481.615 1.604 50 0 JDAARN COc1ccc(-c2nnc(SCC(=O)c3c(N)n(C4CC4)c(=O)[nH]c3=O)n2C[C@@H]2CCCO2)cc1 ZINC000012692252 556102320 /nfs/dbraw/zinc/10/23/20/556102320.db2.gz PMXHLBOICBWNIR-INIZCTEOSA-N 0 0 498.565 1.875 50 0 JDAARN CC[C@H](C)[C@H](NC(=O)C1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C)cc2)CC1)C(=O)OC ZINC000015996257 556102816 /nfs/dbraw/zinc/10/28/16/556102816.db2.gz RNIBMFVSUPEMBA-QKLQHJQFSA-N 0 0 481.615 1.604 50 0 JDAARN CC[C@H](C)[C@@H](NC(=O)C1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C)cc2)CC1)C(=O)OC ZINC000015996253 556102970 /nfs/dbraw/zinc/10/29/70/556102970.db2.gz RNIBMFVSUPEMBA-SQGPQFPESA-N 0 0 481.615 1.604 50 0 JDAARN CCn1c(CCC(=O)NCc2ccccc2CN2CCOCC2)nc2cc(S(N)(=O)=O)ccc21 ZINC000023936703 556103066 /nfs/dbraw/zinc/10/30/66/556103066.db2.gz DPWKONXVDPHTJB-UHFFFAOYSA-N 0 0 485.610 1.785 50 0 JDAARN CCn1c(=O)c2ccccc2n(CC(=O)NN2C(=O)N[C@@](C)(CCc3ccccc3)C2=O)c1=O ZINC000023949452 556103673 /nfs/dbraw/zinc/10/36/73/556103673.db2.gz DPRLITQUGQALSZ-DEOSSOPVSA-N 0 0 463.494 1.158 50 0 JDAARN Cn1c2ncn(CC(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)c2c(=O)n(C)c1=O ZINC000023955669 556103952 /nfs/dbraw/zinc/10/39/52/556103952.db2.gz OLTDOAMHQLHNEW-UHFFFAOYSA-N 0 0 472.549 1.368 50 0 JDAARN COc1ccc(S(=O)(=O)NCC(=O)N(C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 ZINC000012736841 556105888 /nfs/dbraw/zinc/10/58/88/556105888.db2.gz ABNJKCXIKZFTBI-UHFFFAOYSA-N 0 0 475.445 1.969 50 0 JDAARN NC(=O)C[C@H]1N[C@]2(C(=O)Nc3c2cccc3Cl)[C@@H]2C(=O)N(Cc3ccccc3Cl)C(=O)[C@H]12 ZINC000016009694 556108068 /nfs/dbraw/zinc/10/80/68/556108068.db2.gz CPDZJNFKRQNLFI-SKGWCBBHSA-N 0 0 473.316 1.789 50 0 JDAARN NC(=O)C[C@@H]1N[C@@]2(C(=O)Nc3c2cccc3Cl)[C@@H]2C(=O)N(Cc3ccccc3Cl)C(=O)[C@@H]21 ZINC000016009695 556108261 /nfs/dbraw/zinc/10/82/61/556108261.db2.gz CPDZJNFKRQNLFI-RPWDQDSNSA-N 0 0 473.316 1.789 50 0 JDAARN O=C(NCc1ccccc1CN1CCOCC1)[C@H]1CCCN1C1=NS(=O)(=O)c2ccccc21 ZINC000023968167 556108304 /nfs/dbraw/zinc/10/83/04/556108304.db2.gz IYHZQAUANISZID-OAQYLSRUSA-N 0 0 468.579 1.749 50 0 JDAARN Cc1cc2c(c(Cl)c1)NC(=O)[C@@]21N[C@H](CC(N)=O)[C@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]21 ZINC000016009733 556108713 /nfs/dbraw/zinc/10/87/13/556108713.db2.gz POBTUOSSPLAQCR-SAQZZPNQSA-N 0 0 470.888 1.584 50 0 JDAARN Cc1ccc(S(N)(=O)=O)cc1C(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000012760770 556109372 /nfs/dbraw/zinc/10/93/72/556109372.db2.gz GCWFMTCMWZZKRU-UHFFFAOYSA-N 0 0 473.576 1.942 50 0 JDAARN Cc1c2c(ccc1Cl)[C@]1(N[C@H](CC(N)=O)[C@H]3C(=O)N(Cc4ccc(F)cc4)C(=O)[C@H]31)C(=O)N2 ZINC000016010203 556109767 /nfs/dbraw/zinc/10/97/67/556109767.db2.gz BDRYVDPONKBAAI-SAQZZPNQSA-N 0 0 470.888 1.584 50 0 JDAARN NC(=O)C[C@H]1N[C@@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(Cc3ccccc3Cl)C(=O)[C@H]12 ZINC000016012641 556111395 /nfs/dbraw/zinc/11/13/95/556111395.db2.gz OQMFCUJHSQGUCN-YDGKCNFYSA-N 0 0 456.861 1.275 50 0 JDAARN Cc1cccc(OCC(=O)N(C)CC(=O)N(CC(C)C)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)c1C ZINC000016013852 556112412 /nfs/dbraw/zinc/11/24/12/556112412.db2.gz ZPQYCQAGHFBQBG-UHFFFAOYSA-N 0 0 487.601 1.918 50 0 JDAARN Cc1cccc2c1NC(=O)[C@@]21N[C@@H](CC(N)=O)[C@H]2C(=O)N(Cc3ccccc3Cl)C(=O)[C@H]21 ZINC000016021291 556113758 /nfs/dbraw/zinc/11/37/58/556113758.db2.gz DJFORABKBRCNIF-XQNUDUSMSA-N 0 0 452.898 1.444 50 0 JDAARN O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000023990280 556114699 /nfs/dbraw/zinc/11/46/99/556114699.db2.gz IYOBMSVVAWDACK-NRFANRHFSA-N 0 0 491.635 1.209 50 0 JDAARN CCn1c(=O)c2cccnc2nc1SCC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000023994888 556115079 /nfs/dbraw/zinc/11/50/79/556115079.db2.gz QXCQKFFRCSNYNG-UHFFFAOYSA-N 0 0 467.551 1.977 50 0 JDAARN O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1)c1ccccc1 ZINC000023995320 556115313 /nfs/dbraw/zinc/11/53/13/556115313.db2.gz BOZWDNYVRYGBGP-YADHBBJMSA-N 0 0 455.580 1.359 50 0 JDAARN O=C(N[C@H](CN1CCOCC1)c1ccccc1)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 ZINC000023995538 556115451 /nfs/dbraw/zinc/11/54/51/556115451.db2.gz JRZZCUBTTOITAQ-OAQYLSRUSA-N 0 0 477.558 1.650 50 0 JDAARN CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)CSc2nnc(C[C@@H]3CCS(=O)(=O)C3)o2)C1=O ZINC000012819730 556115535 /nfs/dbraw/zinc/11/55/35/556115535.db2.gz BWZYTSNVSJUYQG-RNODOKPDSA-N 0 0 493.567 1.027 50 0 JDAARN CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CSc2nnc(C[C@@H]3CCS(=O)(=O)C3)o2)C1=O ZINC000012819722 556115540 /nfs/dbraw/zinc/11/55/40/556115540.db2.gz BWZYTSNVSJUYQG-RBZFPXEDSA-N 0 0 493.567 1.027 50 0 JDAARN COc1cccc(Nc2nnc(SCC(=O)N3CCN([C@H]4CCS(=O)(=O)C4)CC3)s2)c1 ZINC000024002713 556115949 /nfs/dbraw/zinc/11/59/49/556115949.db2.gz NTYLUAURQCVPTJ-HNNXBMFYSA-N 0 0 483.641 1.714 50 0 JDAARN O=C(c1ccc(Cl)cc1)N1CCC[C@H](C(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)C1 ZINC000024002119 556116002 /nfs/dbraw/zinc/11/60/02/556116002.db2.gz YDVTYRHZLFXRPE-PKOBYXMFSA-N 0 0 453.992 1.524 50 0 JDAARN CCCCn1nc(C(=O)N(CCOC)c2c(N)n(CCCC)c(=O)[nH]c2=O)c2ccccc2c1=O ZINC000024005915 556116040 /nfs/dbraw/zinc/11/60/40/556116040.db2.gz RABDVWFYGXYESW-UHFFFAOYSA-N 0 0 484.557 1.722 50 0 JDAARN COCCN(C(=O)[C@@H]1CC(=O)N(Cc2ccc(C)cc2)C1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000024015277 556116239 /nfs/dbraw/zinc/11/62/39/556116239.db2.gz RVWLJCCMWZEKMD-GOSISDBHSA-N 0 0 471.558 1.111 50 0 JDAARN COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)CC1 ZINC000024020839 556116343 /nfs/dbraw/zinc/11/63/43/556116343.db2.gz CCVMBRXQXHQGFS-UHFFFAOYSA-N 0 0 485.518 1.738 50 0 JDAARN C[C@@H](OC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000024046563 556117999 /nfs/dbraw/zinc/11/79/99/556117999.db2.gz YKCHYSIAJRJWJH-OAHLLOKOSA-N 0 0 496.563 1.507 50 0 JDAARN O=C(COC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1)NCc1ccc2c(c1)OCO2 ZINC000016035327 556118743 /nfs/dbraw/zinc/11/87/43/556118743.db2.gz CVQIZZNKTQXNRE-UHFFFAOYSA-N 0 0 466.537 1.737 50 0 JDAARN COC(=O)C1C(C)=NC(=S)N[C@H]1c1ccc(OCC(=O)N2C[C@@H](C)O[C@@H](C)C2)c(OC)c1 ZINC000016035711 556119305 /nfs/dbraw/zinc/11/93/05/556119305.db2.gz RUQQFQQMPXBOBR-RDXCRGQUSA-N 0 0 463.556 1.676 50 0 JDAARN C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000024137539 556122989 /nfs/dbraw/zinc/12/29/89/556122989.db2.gz FMRZAMOADKCACU-INIZCTEOSA-N 0 0 454.552 1.393 50 0 JDAARN NC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)CNC(=O)c2cc(Cl)ccn2)CC1 ZINC000024149309 556124536 /nfs/dbraw/zinc/12/45/36/556124536.db2.gz XGJJWFJUNOLQNJ-GOSISDBHSA-N 0 0 450.326 1.489 50 0 JDAARN 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ZINC000030057810 556362897 /nfs/dbraw/zinc/36/28/97/556362897.db2.gz LBIWXZYTQDPONZ-UHFFFAOYSA-N 0 0 478.475 1.582 50 0 JDAARN COCCCN(C(=O)CN1CCCc2ccccc21)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000013134754 556364202 /nfs/dbraw/zinc/36/42/02/556364202.db2.gz TUHRTNHVMUZTMR-UHFFFAOYSA-N 0 0 477.565 1.989 50 0 JDAARN Cc1cc(C)nc(-c2cccc3c2O[C@@H](CNC(=O)CCN(C)[C@@H]2CCS(=O)(=O)C2)C3)n1 ZINC000019745269 556366004 /nfs/dbraw/zinc/36/60/04/556366004.db2.gz HGIHBBMNHIHIOZ-RTBURBONSA-N 0 0 458.584 1.689 50 0 JDAARN CCOC(=O)c1ccc(S(=O)(=O)N2CCN(C[C@@H](O)COc3cccc(C(C)=O)c3)CC2)cc1 ZINC000013135396 556366140 /nfs/dbraw/zinc/36/61/40/556366140.db2.gz AMVQWPUTZNRSEX-OAQYLSRUSA-N 0 0 490.578 1.812 50 0 JDAARN CCn1c(-c2ccco2)nn(CN2CCN(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)c1=S ZINC000030587270 556367698 /nfs/dbraw/zinc/36/76/98/556367698.db2.gz MKWYNWZQGYIVRY-HOTGVXAUSA-N 0 0 470.621 1.623 50 0 JDAARN C[C@@H]1CS(=O)(=O)N(c2ccc(S(=O)(=O)N3CCN(Cc4ccccc4)CC3)cc2)C1=O ZINC000019796710 556374452 /nfs/dbraw/zinc/37/44/52/556374452.db2.gz YDISODZWHPHYJS-QGZVFWFLSA-N 0 0 463.581 1.506 50 0 JDAARN Cc1cc(N2C(=O)CCS2(=O)=O)cc(C)c1S(=O)(=O)N1CCN(Cc2ccccc2)CC1 ZINC000019796706 556374557 /nfs/dbraw/zinc/37/45/57/556374557.db2.gz ZCIRVCPVNZVCJT-UHFFFAOYSA-N 0 0 477.608 1.876 50 0 JDAARN NS(=O)(=O)c1ccc(NC(=O)CSc2nnc(CN3CCOCC3)n2-c2ccccc2)cc1 ZINC000019799583 556376531 /nfs/dbraw/zinc/37/65/31/556376531.db2.gz XDIMQHMIJGSVHG-UHFFFAOYSA-N 0 0 488.595 1.478 50 0 JDAARN COc1cc(=O)n2c(c1C(=O)NCCCn1cccn1)CCN(Cc1cccc3c1OCO3)CC2 ZINC000019811539 556382115 /nfs/dbraw/zinc/38/21/15/556382115.db2.gz LSAYPBZRZWVWQD-UHFFFAOYSA-N 0 0 479.537 1.661 50 0 JDAARN O=C(C[C@@H]1C(=O)NCCN1C(=O)CN1CCN(Cc2ccccc2)CC1)Nc1cccc(Cl)c1 ZINC000019818625 556386534 /nfs/dbraw/zinc/38/65/34/556386534.db2.gz YNWSXHYCSXBACL-JOCHJYFZSA-N 0 0 484.000 1.813 50 0 JDAARN Cc1cc(N2C(=O)[C@H](C)CS2(=O)=O)ccc1S(=O)(=O)NC[C@@H](c1ccco1)N1CCOCC1 ZINC000019818998 556386954 /nfs/dbraw/zinc/38/69/54/556386954.db2.gz CSUYWIAVWABTLI-AEFFLSMTSA-N 0 0 497.595 1.252 50 0 JDAARN CC1(C)CS(=O)(=O)N(c2ccc(S(=O)(=O)NC[C@H](c3ccco3)N3CCOCC3)cc2)C1=O ZINC000019818988 556387034 /nfs/dbraw/zinc/38/70/34/556387034.db2.gz XPVRAYBNGPHPQU-GOSISDBHSA-N 0 0 497.595 1.334 50 0 JDAARN COc1ccc([C@H](CNC(=O)c2cccc(N3C(=O)CCS3(=O)=O)c2)N2CCOCC2)cc1 ZINC000019819029 556387282 /nfs/dbraw/zinc/38/72/82/556387282.db2.gz BQPAPKXOBVNRSG-NRFANRHFSA-N 0 0 473.551 1.565 50 0 JDAARN Cc1ccc([C@H](CNC(=O)c2cccc(N3C(=O)CCS3(=O)=O)c2)N2CCOCC2)cc1 ZINC000019819025 556387399 /nfs/dbraw/zinc/38/73/99/556387399.db2.gz DFJRZKDNRFLSBY-NRFANRHFSA-N 0 0 457.552 1.865 50 0 JDAARN COc1ccc([C@H]2CC(=O)c3cnc4nc(N5CCC(C(N)=O)CC5)[nH]c(=O)c4c3C2)c(OC)c1 ZINC000030903362 556387689 /nfs/dbraw/zinc/38/76/89/556387689.db2.gz WPBMHKFBAAXQHT-CQSZACIVSA-N 0 0 477.521 1.950 50 0 JDAARN CS(=O)(=O)N1CC[C@H](C(=O)Nc2ccccc2C(=O)N2CCOCC2)Oc2ccccc21 ZINC000030939936 556388371 /nfs/dbraw/zinc/38/83/71/556388371.db2.gz OHWQEJOEJLSYCJ-HXUWFJFHSA-N 0 0 459.524 1.715 50 0 JDAARN COc1ccc(S(=O)(=O)NC[C@H](c2ccc3c(c2)OCO3)N2CCOCC2)cc1OC ZINC000019819817 556388586 /nfs/dbraw/zinc/38/85/86/556388586.db2.gz PCBUIYXOOMUYRI-QGZVFWFLSA-N 0 0 450.513 1.784 50 0 JDAARN O=C(C[C@@H]1C(=O)NCCN1C(=O)CN1CCN(C(=O)c2ccco2)CC1)Nc1ccccc1Cl ZINC000019820905 556390955 /nfs/dbraw/zinc/39/09/55/556390955.db2.gz HRPXDJKAUHADRZ-GOSISDBHSA-N 0 0 487.944 1.047 50 0 JDAARN O=C(C[C@@H]1C(=O)NCCN1C(=O)CN1CCN(c2ccccn2)CC1)Nc1ccccc1Cl ZINC000019820949 556390992 /nfs/dbraw/zinc/39/09/92/556390992.db2.gz ZCQWXBIARSHAEV-LJQANCHMSA-N 0 0 470.961 1.213 50 0 JDAARN O=C(NCCN1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)C(=O)NCc1ccccc1 ZINC000019831110 556397939 /nfs/dbraw/zinc/39/79/39/556397939.db2.gz FLNLWEIWBUYXFH-UHFFFAOYSA-N 0 0 464.975 1.079 50 0 JDAARN COc1ccc(N2C[C@@H](C(=O)Nc3ccccc3C(=O)NCCN3CCOCC3)CC2=O)cc1 ZINC000019831349 556398383 /nfs/dbraw/zinc/39/83/83/556398383.db2.gz SQMZIAFETBBWPL-SFHVURJKSA-N 0 0 466.538 1.749 50 0 JDAARN CCOC(=O)C1=C(Cn2cc(S(=O)(=O)N(CC)CC)ccc2=O)NC(=O)N[C@@H]1c1ccco1 ZINC000031646274 556400952 /nfs/dbraw/zinc/40/09/52/556400952.db2.gz UDQQXJQXHUICBS-LJQANCHMSA-N 0 0 478.527 1.343 50 0 JDAARN C[C@]1(c2ccc3c(c2)OCCO3)NC(=O)N(CC(=O)Nc2sc3c(c2C(N)=O)CCCC3)C1=O ZINC000031643639 556401014 /nfs/dbraw/zinc/40/10/14/556401014.db2.gz NQAMAYVEICNEFF-HSZRJFAPSA-N 0 0 484.534 1.903 50 0 JDAARN COc1ccccc1CNS(=O)(=O)c1cccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000031772781 556403291 /nfs/dbraw/zinc/40/32/91/556403291.db2.gz QPEJKJBNETVWLB-QGZVFWFLSA-N 0 0 459.567 1.135 50 0 JDAARN O=S(=O)(c1cccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000031772826 556403299 /nfs/dbraw/zinc/40/32/99/556403299.db2.gz BPZIKZPPAOWLPS-OAQYLSRUSA-N 0 0 498.648 1.154 50 0 JDAARN CC[C@H](C)[C@H](NC(=O)Cn1cnc2cc(OC)c(OC)cc2c1=O)C(=O)NCc1cccnc1 ZINC000032124093 556426658 /nfs/dbraw/zinc/42/66/58/556426658.db2.gz HNSXFCWLRGLQIV-NYHFZMIOSA-N 0 0 467.526 1.656 50 0 biogenic JDAARN O=C(CCS(=O)(=O)c1ccccc1)OCc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000032636285 556457157 /nfs/dbraw/zinc/45/71/57/556457157.db2.gz NPHHGRCZIRVVBR-UHFFFAOYSA-N 0 0 453.538 1.615 50 0 JDAARN C[C@H](OC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000032669966 556467678 /nfs/dbraw/zinc/46/76/78/556467678.db2.gz CYJSUHQSFUUGGT-WCQYABFASA-N 0 0 473.454 1.324 50 0 JDAARN O=C(Nc1nc(CN2CCOCC2)cs1)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 ZINC000032674620 556468945 /nfs/dbraw/zinc/46/89/45/556468945.db2.gz WLHZDMRBXTVJJQ-QGZVFWFLSA-N 0 0 454.549 1.906 50 0 JDAARN CC(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000032722502 556475803 /nfs/dbraw/zinc/47/58/03/556475803.db2.gz VFIOQHUJMDSBOS-QFIPXVFZSA-N 0 0 457.552 1.297 50 0 JDAARN CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000032722500 556475826 /nfs/dbraw/zinc/47/58/26/556475826.db2.gz VFIOQHUJMDSBOS-JOCHJYFZSA-N 0 0 457.552 1.297 50 0 JDAARN O=C(CN1c2ccccc2OCCC1=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000032744470 556482203 /nfs/dbraw/zinc/48/22/03/556482203.db2.gz AWLPJSUIUIAUSS-UHFFFAOYSA-N 0 0 487.534 1.106 50 0 JDAARN CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)C(=O)OCC(=O)N[C@H]2CCOc3ccccc32)cc1 ZINC000032747245 556483727 /nfs/dbraw/zinc/48/37/27/556483727.db2.gz SJNLOWSKVUGPJI-KUHUBIRLSA-N 0 0 475.523 1.495 50 0 JDAARN CCN(CC)S(=O)(=O)c1cccc(NC(=O)COC(=O)c2c(C)oc3ncn(C)c(=O)c32)c1 ZINC000032747437 556484461 /nfs/dbraw/zinc/48/44/61/556484461.db2.gz WLWIGQOMCLMOTK-UHFFFAOYSA-N 0 0 476.511 1.661 50 0 JDAARN C[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)N(C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000032747921 556484697 /nfs/dbraw/zinc/48/46/97/556484697.db2.gz ZNOYEMUOLZGVEP-CQSZACIVSA-N 0 0 472.523 1.410 50 0 JDAARN C[C@@H](NC(=O)[C@@H](CCS(C)(=O)=O)N1C(=O)c2ccccc2C1=O)c1ccc2c(c1)OCCO2 ZINC000032747868 556484721 /nfs/dbraw/zinc/48/47/21/556484721.db2.gz PDVAPZVTOINPST-RDTXWAMCSA-N 0 0 472.519 1.735 50 0 JDAARN C[C@H](NC(=O)[C@@H](CCS(C)(=O)=O)N1C(=O)c2ccccc2C1=O)c1ccc2c(c1)OCCO2 ZINC000032747869 556484806 /nfs/dbraw/zinc/48/48/06/556484806.db2.gz PDVAPZVTOINPST-KBXCAEBGSA-N 0 0 472.519 1.735 50 0 JDAARN Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)OCC(=O)N(C)[C@]1(c2ccccc2Cl)CCCCC1=O ZINC000032752762 556485507 /nfs/dbraw/zinc/48/55/07/556485507.db2.gz IUDHTMCTOVRDRD-QHCPKHFHSA-N 0 0 475.929 1.998 50 0 JDAARN C[C@H](C(=O)N1CCNC1=O)N1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000032753318 556485739 /nfs/dbraw/zinc/48/57/39/556485739.db2.gz IXVCXQJDXVWYDR-LLVKDONJSA-N 0 0 468.885 1.605 50 0 JDAARN CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CN(C)CC(=O)Nc2ccc(OC)cc2)C1=O ZINC000032753389 556486275 /nfs/dbraw/zinc/48/62/75/556486275.db2.gz UOMMRIPYVJRIRM-QHCPKHFHSA-N 0 0 453.499 1.454 50 0 JDAARN Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H]1C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000032768086 556488779 /nfs/dbraw/zinc/48/87/79/556488779.db2.gz QLMKVAABJPZGOX-MRXNPFEDSA-N 0 0 456.546 1.334 50 0 JDAARN COc1ccc(C)cc1CN1CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)CC1 ZINC000032772490 556490099 /nfs/dbraw/zinc/49/00/99/556490099.db2.gz ORSURXUTJXSYKJ-UHFFFAOYSA-N 0 0 462.572 1.311 50 0 JDAARN COc1ccc(CC(=O)O[C@@H](C)C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1F ZINC000032776306 556491517 /nfs/dbraw/zinc/49/15/17/556491517.db2.gz NZKIWVCVNKNXTF-INIZCTEOSA-N 0 0 464.515 1.842 50 0 JDAARN C[C@H](Sc1nnc([C@H]2CCS(=O)(=O)C2)n1C)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F ZINC000032777890 556492703 /nfs/dbraw/zinc/49/27/03/556492703.db2.gz ITBSLWSTLGXNIM-UWVGGRQHSA-N 0 0 491.517 1.370 50 0 JDAARN C[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)NCc1ccc(N2CCCC2=O)cc1 ZINC000032781148 556493688 /nfs/dbraw/zinc/49/36/88/556493688.db2.gz KGZWGLLGTCNCKD-MRXNPFEDSA-N 0 0 473.551 1.958 50 0 JDAARN COC(=O)c1csc(S(=O)(=O)N2CCN(C(=O)[C@H](C)Oc3ccc(F)cc3)CC2)c1 ZINC000032788983 556495167 /nfs/dbraw/zinc/49/51/67/556495167.db2.gz IKPXEIAFFFXUDH-ZDUSSCGKSA-N 0 0 456.517 1.974 50 0 JDAARN O=C(Cn1cnc2ccc(F)cc2c1=O)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@@H]1CCCO1 ZINC000032796505 556495324 /nfs/dbraw/zinc/49/53/24/556495324.db2.gz XQFJGCRTMXFBQT-INIZCTEOSA-N 0 0 463.469 1.980 50 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/nfs/dbraw/zinc/67/36/48/569673648.db2.gz NSIQSDGYJWAYHD-UHFFFAOYSA-N 0 0 486.506 1.725 50 0 JDAARN COc1ccc(CN2CCN(C(=O)c3c(C)oc4ncn(C)c(=O)c43)CC2)c(OC)c1OC ZINC000065329573 569674713 /nfs/dbraw/zinc/67/47/13/569674713.db2.gz PVUSEYGZUPFPKZ-UHFFFAOYSA-N 0 0 456.499 1.819 50 0 JDAARN CCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)NC[C@H](C)N3C[C@@H](C)O[C@H](C)C3)c2c1 ZINC000065594760 569676340 /nfs/dbraw/zinc/67/63/40/569676340.db2.gz MVDDUEDJYQUFAW-GVDBMIGSSA-N 0 0 478.615 1.786 50 0 JDAARN C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)C(=O)c1ccc2c(c1)S(=O)(=O)N(C1CC1)C2=O ZINC000065621387 569676347 /nfs/dbraw/zinc/67/63/47/569676347.db2.gz UDKMNUSWYAQXKS-LBPRGKRZSA-N 0 0 463.537 1.474 50 0 JDAARN COC(=O)C1=C(CN2CC(=O)N(CCc3ccccc3)C(=O)C2)NC(=O)N[C@H]1c1ccc(F)cc1 ZINC000067204946 569677699 /nfs/dbraw/zinc/67/76/99/569677699.db2.gz MUPLWZDGOUJSOL-QHCPKHFHSA-N 0 0 480.496 1.520 50 0 JDAARN O=C(CN1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)NC3CC3)c2)CC1)N1CCCC1 ZINC000035326285 569680865 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CCNC(=O)[C@H]1CCCN(c2nc3ncn(CC(=O)N(C)C4CCCCC4)c(=O)c3s2)C1 ZINC000067226305 569681155 /nfs/dbraw/zinc/68/11/55/569681155.db2.gz HMDOVVRACAEYRO-HNNXBMFYSA-N 0 0 460.604 1.997 50 0 JDAARN O=C(CN1CCN(C(=O)CCCN2C(=O)NC3(CCCC3)C2=O)CC1)Nc1cccc(F)c1 ZINC000035336531 569681209 /nfs/dbraw/zinc/68/12/09/569681209.db2.gz LRRLHLGOUJOKIJ-UHFFFAOYSA-N 0 0 459.522 1.553 50 0 JDAARN O=C(CN1CCN(C(=O)c2cc(S(=O)(=O)NC3CC3)ccc2Br)CC1)N1CCCC1 ZINC000035338717 569681319 /nfs/dbraw/zinc/68/13/19/569681319.db2.gz OANHSHLDPRKXOU-UHFFFAOYSA-N 0 0 499.431 1.270 50 0 JDAARN CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N2CCN(CC(=O)NC3CC3)CC2)cc1 ZINC000035351455 569681682 /nfs/dbraw/zinc/68/16/82/569681682.db2.gz ZQTYXDXSHBPIDP-UHFFFAOYSA-N 0 0 456.568 1.548 50 0 JDAARN Cc1ccc(CNC(=O)Cn2cnc3nc(N4CCC(C(=O)NC5CC5)CC4)sc3c2=O)o1 ZINC000067239558 569681675 /nfs/dbraw/zinc/68/16/75/569681675.db2.gz FFVNQHOJFMEBTL-UHFFFAOYSA-N 0 0 470.555 1.566 50 0 JDAARN CCN1CCN(c2nc3ncn(CC(=O)N[C@H](C)c4ccc(OC)cc4)c(=O)c3s2)CC1 ZINC000067239627 569681806 /nfs/dbraw/zinc/68/18/06/569681806.db2.gz JVJJFDYPBFBRCP-OAHLLOKOSA-N 0 0 456.572 1.881 50 0 JDAARN NC(=O)c1c2c(sc1NC(=O)CN1CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC1)CCC2 ZINC000035354978 569681955 /nfs/dbraw/zinc/68/19/55/569681955.db2.gz GXTJNMQFKPNCFB-UHFFFAOYSA-N 0 0 488.635 1.769 50 0 JDAARN CCOc1ccccc1-n1ccn(CC(=O)N2CCN(c3ccccc3OC)CC2)c(=O)c1=O ZINC000067256561 569682208 /nfs/dbraw/zinc/68/22/08/569682208.db2.gz MARUXPJDYJGMHH-UHFFFAOYSA-N 0 0 464.522 1.755 50 0 JDAARN Cc1cc(Cl)cc2c1NC(=O)[C@@]21N[C@@H]([C@@H](C)O)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000035363865 569682635 /nfs/dbraw/zinc/68/26/35/569682635.db2.gz NUECCNYFQWXVIR-RMIXQUSFSA-N 0 0 453.926 1.992 50 0 biogenic JDAARN CCCCNC(=O)Cn1nc2c(N3CCC(C(=O)OCC)CC3)nc3ccccc3n2c1=O ZINC000035372035 569682983 /nfs/dbraw/zinc/68/29/83/569682983.db2.gz KPLSUEPYBAJPFK-UHFFFAOYSA-N 0 0 454.531 1.740 50 0 JDAARN CCOC(=O)C1=C(CN2CCN(C(=O)OCC)CC2)NC(=O)N[C@H]1c1ccc(OC)c(OC)c1 ZINC000067285904 569683554 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Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)NS(=O)(=O)Cc3ccccc3)CC2)s1 ZINC000040156184 569821154 /nfs/dbraw/zinc/82/11/54/569821154.db2.gz GYBIDVKQJMEFBW-MRXNPFEDSA-N 0 0 471.626 1.398 50 0 JDAARN COc1ccc(C(=O)N2CCC(c3nc(C)no3)CC2)cc1S(=O)(=O)N1CCOCC1 ZINC000040156255 569821188 /nfs/dbraw/zinc/82/11/88/569821188.db2.gz HXFKEJRPEKMFJQ-UHFFFAOYSA-N 0 0 450.517 1.427 50 0 JDAARN CCC[C@H](C)NS(=O)(=O)c1ccc(N2CCN(S(=O)(=O)c3cccnc3)CC2)nc1 ZINC000040158252 569822009 /nfs/dbraw/zinc/82/20/09/569822009.db2.gz PWTKOAZQVUSPMA-INIZCTEOSA-N 0 0 453.590 1.454 50 0 JDAARN CN(C)S(=O)(=O)c1cccc(NC(=S)N2CCN(S(=O)(=O)c3ccccc3)CC2)c1 ZINC000040161432 569822760 /nfs/dbraw/zinc/82/27/60/569822760.db2.gz ZMANEDTYZILTJE-UHFFFAOYSA-N 0 0 468.626 1.640 50 0 JDAARN CCOc1ccc(OC[C@@H](O)CN2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1 ZINC000040160684 569822779 /nfs/dbraw/zinc/82/27/79/569822779.db2.gz AINSWPPFYGVXCA-SFHVURJKSA-N 0 0 478.567 1.603 50 0 JDAARN CCOc1ccc(OC[C@H](O)CN2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1 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COc1ccc(NC(=O)[C@H](CCSC)NS(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)cc1 ZINC000002928648 194172558 /nfs/dbraw/zinc/17/25/58/194172558.db2.gz KHBABGGRSFQPOB-INIZCTEOSA-N 0 0 478.552 1.264 50 0 JDAARN COc1cccc(CNC(=O)[C@@H](CCSC)NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)c1 ZINC000002928965 194172956 /nfs/dbraw/zinc/17/29/56/194172956.db2.gz AGCREHZRYANLAD-QGZVFWFLSA-N 0 0 479.580 1.857 50 0 JDAARN NS(=O)(=O)c1ccc(CCNC(=O)CSc2nc3ccsc3c(=O)n2C2CC2)cc1 ZINC000002932283 194173709 /nfs/dbraw/zinc/17/37/09/194173709.db2.gz PAXWZYMMTFUOLV-UHFFFAOYSA-N 0 0 464.594 1.891 50 0 JDAARN NS(=O)(=O)c1ccc(CCNC(=O)CCS(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000002940598 194174878 /nfs/dbraw/zinc/17/48/78/194174878.db2.gz PFYSAGMLZNMZOH-UHFFFAOYSA-N 0 0 475.386 1.619 50 0 JDAARN NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(Cn3c(=O)[nH]c4ccccc4c3=O)cc2)cc1 ZINC000002952234 194177887 /nfs/dbraw/zinc/17/78/87/194177887.db2.gz XLSODBAWUKIJPC-UHFFFAOYSA-N 0 0 478.530 1.358 50 0 JDAARN CNC(=S)N(CCc1ccc(S(N)(=O)=O)cc1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1=O 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COc1cccc(NC(=O)COC(=O)[C@@H](NS(=O)(=O)c2ccc(Cl)cc2)[C@@H](C)O)c1 ZINC000003273581 194259100 /nfs/dbraw/zinc/25/91/00/194259100.db2.gz WJVGAAHRWKPJHV-XIKOKIGWSA-N 0 0 456.904 1.558 50 0 JDAARN COc1cccc(NC(=O)COC(=O)[C@H](NS(=O)(=O)c2ccc(Cl)cc2)[C@@H](C)O)c1 ZINC000003273583 194259196 /nfs/dbraw/zinc/25/91/96/194259196.db2.gz WJVGAAHRWKPJHV-KZULUSFZSA-N 0 0 456.904 1.558 50 0 JDAARN O=C(OCCN1C(=O)c2ccccc2C1=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl ZINC000003275256 194259891 /nfs/dbraw/zinc/25/98/91/194259891.db2.gz NXTITQCEWUHFET-UHFFFAOYSA-N 0 0 478.910 1.814 50 0 JDAARN Cc1c(N[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c(=O)n(-c2ccccc2)n1C ZINC000003287219 194265480 /nfs/dbraw/zinc/26/54/80/194265480.db2.gz RNXSRYHXXZNIFW-KRWDZBQOSA-N 0 0 499.593 1.944 50 0 JDAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)c3nc4nc(C)cc(C)n4n3)CC2)c(C)c1 ZINC000003307651 194275282 /nfs/dbraw/zinc/27/52/82/194275282.db2.gz ITDPCEMUGQGESN-UHFFFAOYSA-N 0 0 486.554 1.048 50 0 JDAARN 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463.446 1.248 50 0 biogenic JDAARN O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)s1)C1CCN(C(=O)c2ccco2)CC1 ZINC000012875304 195165719 /nfs/dbraw/zinc/16/57/19/195165719.db2.gz BYJMYODKDIBXOV-UHFFFAOYSA-N 0 0 467.569 1.531 50 0 JDAARN C[C@@H](OC(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000012876572 195166420 /nfs/dbraw/zinc/16/64/20/195166420.db2.gz NTQUTSGTRHRZAI-CQSZACIVSA-N 0 0 477.514 1.896 50 0 JDAARN Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)O[C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)cc1 ZINC000012880336 195168256 /nfs/dbraw/zinc/16/82/56/195168256.db2.gz SOWBFGVSBBAIEM-KXBFYZLASA-N 0 0 459.524 1.817 50 0 JDAARN Cc1ccc2c(c1C)NC(=O)[C@]21[NH2+][C@H](CCC(=O)[O-])[C@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]21 ZINC000012883032 195169562 /nfs/dbraw/zinc/16/95/62/195169562.db2.gz WIIFZSHMXMVSCO-WYMULPSZSA-N 0 0 491.500 1.818 50 0 biogenic JDAARN Cc1cc2c(c(C)c1)NC(=O)[C@]21[NH2+][C@@H](CCC(=O)[O-])[C@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]21 ZINC000012883799 195169647 /nfs/dbraw/zinc/16/96/47/195169647.db2.gz 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50 0 JDAARN O=C(CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)o1)N1CCCCC1 ZINC000012893512 195174188 /nfs/dbraw/zinc/17/41/88/195174188.db2.gz MOZYBPXDDAMGHK-UHFFFAOYSA-N 0 0 452.558 1.862 50 0 JDAARN Cn1cc(S(=O)(=O)N2CCC(C(=O)NCCc3ccc(C(F)(F)F)cc3)CC2)cc1C(N)=O ZINC000012893523 195174203 /nfs/dbraw/zinc/17/42/03/195174203.db2.gz YUMKXFYVPJNABN-UHFFFAOYSA-N 0 0 486.516 1.902 50 0 JDAARN C[C@H](NS(=O)(=O)c1cccc(Cl)c1)C(=O)OCCN1C(=O)c2ccccc2S1(=O)=O ZINC000012893886 195174450 /nfs/dbraw/zinc/17/44/50/195174450.db2.gz OJFYATLXHKKMCP-LBPRGKRZSA-N 0 0 472.928 1.395 50 0 JDAARN CNS(=O)(=O)Cc1ccccc1CNC(=O)CNC(=O)c1cccc(Br)c1 ZINC000012896401 195175315 /nfs/dbraw/zinc/17/53/15/195175315.db2.gz JICRKRVBGHTQEV-UHFFFAOYSA-N 0 0 454.346 1.545 50 0 JDAARN O=C(NN1C(=O)NC2(CCCCC2)C1=O)[C@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1 ZINC000012897551 195176085 /nfs/dbraw/zinc/17/60/85/195176085.db2.gz WJKBPIOIQGNIAL-AWEZNQCLSA-N 0 0 459.528 1.133 50 0 JDAARN O=C(CN1CCN(C(=O)c2cccc(-n3cnnn3)c2)CC1)Nc1ccc(OC(F)(F)F)cc1 ZINC000012898573 195176348 /nfs/dbraw/zinc/17/63/48/195176348.db2.gz ARKPNYHCDYMMDO-UHFFFAOYSA-N 0 0 475.431 1.957 50 0 JDAARN O=C(CSc1nnc(-c2ccc[nH]2)o1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000012862434 195159990 /nfs/dbraw/zinc/15/99/90/195159990.db2.gz JFONJCPQYQUZLB-QGZVFWFLSA-N 0 0 455.496 1.668 50 0 JDAARN O=C(CSc1nnc(-c2ccc[nH]2)o1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000012862426 195160081 /nfs/dbraw/zinc/16/00/81/195160081.db2.gz JFONJCPQYQUZLB-KRWDZBQOSA-N 0 0 455.496 1.668 50 0 JDAARN O=C(Cn1cnc2cc(Cl)ccc2c1=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000012863683 195160559 /nfs/dbraw/zinc/16/05/59/195160559.db2.gz FHHLXTJCGYQCFE-FQEVSTJZSA-N 0 0 468.897 1.561 50 0 JDAARN C[C@H](OC(=O)C1CCN(C(=O)Nc2ccccc2)CC1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000012865217 195161178 /nfs/dbraw/zinc/16/11/78/195161178.db2.gz IMSLYLYFBKDEEF-YJBOKZPZSA-N 0 0 451.545 1.508 50 0 JDAARN CCCCn1c(N)c(N(CCOC)C(=O)COC(=O)[C@H](C)Oc2ccc(Cl)cc2)c(=O)[nH]c1=O ZINC000012902421 195178145 /nfs/dbraw/zinc/17/81/45/195178145.db2.gz UCVRHOROUDAQJY-AWEZNQCLSA-N 0 0 496.948 1.562 50 0 JDAARN C[C@@H](OC(=O)CNC(=O)c1ccc2ccccc2c1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000012906450 195179891 /nfs/dbraw/zinc/17/98/91/195179891.db2.gz LXVYOVWGJMYTSE-CQSZACIVSA-N 0 0 455.492 1.787 50 0 JDAARN O=C(Cc1n[nH]c(=O)c2ccccc12)Nc1ccc(S(=O)(=O)NCCCN2CCOCC2)cc1 ZINC000012907149 195180337 /nfs/dbraw/zinc/18/03/37/195180337.db2.gz GOPLXLVMIUBGJZ-UHFFFAOYSA-N 0 0 485.566 1.105 50 0 JDAARN COc1ccccc1CN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CC(N)=O)N[C@]21c2cc(Cl)ccc2NC1=O ZINC000020611035 195184524 /nfs/dbraw/zinc/18/45/24/195184524.db2.gz QKFJHLVMRDNTRF-JYISGYRJSA-N 0 0 468.897 1.145 50 0 biogenic JDAARN COc1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)[C@H](CC(N)=O)N[C@]32c3cccc(Cl)c3NC2=O)cc1 ZINC000020611493 195185086 /nfs/dbraw/zinc/18/50/86/195185086.db2.gz WRKDYLMLFCNVHJ-XQNUDUSMSA-N 0 0 468.897 1.145 50 0 biogenic JDAARN CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](CC(N)=O)N[C@]32c3cc(Cl)ccc3NC2=O)cc1 ZINC000020611539 195185247 /nfs/dbraw/zinc/18/52/47/195185247.db2.gz GTSCOLQJGCZSNV-SYSFZUQMSA-N 0 0 496.907 1.317 50 0 biogenic JDAARN COc1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)[C@@H](CC(N)=O)N[C@]32c3ccc(C)c(C)c3NC2=O)cc1 ZINC000020611671 195185606 /nfs/dbraw/zinc/18/56/06/195185606.db2.gz PMFKKVJEXDPCGE-NRGSMNHXSA-N 0 0 462.506 1.108 50 0 biogenic JDAARN COc1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)[C@H](CC(N)=O)N[C@]32c3ccc(Cl)c(C)c3NC2=O)cc1 ZINC000020611758 195185991 /nfs/dbraw/zinc/18/59/91/195185991.db2.gz BMDTUJQSZRATGT-NARGUJOISA-N 0 0 482.924 1.453 50 0 biogenic JDAARN COc1ccc(CCNC(=O)C(=O)NC[C@@H](c2ccc3c(c2)OCO3)N2CCOCC2)cc1 ZINC000020614132 195186249 /nfs/dbraw/zinc/18/62/49/195186249.db2.gz MDQOMEZYGXXEGK-FQEVSTJZSA-N 0 0 455.511 1.272 50 0 JDAARN COc1ccccc1CCNC(=O)C(=O)NC[C@H](c1ccc2c(c1)OCO2)N1CCOCC1 ZINC000020614053 195186254 /nfs/dbraw/zinc/18/62/54/195186254.db2.gz OEAATOQFEJTIME-LJQANCHMSA-N 0 0 455.511 1.272 50 0 JDAARN O=C(NCCc1ccc(Cl)cc1)C(=O)NC[C@H](c1ccc2c(c1)OCO2)N1CCOCC1 ZINC000020614034 195186300 /nfs/dbraw/zinc/18/63/00/195186300.db2.gz MFLFXZNQQVKYNH-LJQANCHMSA-N 0 0 459.930 1.917 50 0 JDAARN CCN1c2ccc(Br)cc2[C@H](NC(=O)C(=O)N2CCN(c3ccccn3)CC2)C1=O ZINC000020621739 195190360 /nfs/dbraw/zinc/19/03/60/195190360.db2.gz XJZFKJJHUVIWQG-SFHVURJKSA-N 0 0 472.343 1.717 50 0 JDAARN O=C(CN1CCN(CN2C(=O)C(=O)N(C3CCCC3)C2=O)CC1)Nc1ccc(OC(F)(F)F)cc1 ZINC000020639570 195192672 /nfs/dbraw/zinc/19/26/72/195192672.db2.gz VODDBNJPGJCECL-UHFFFAOYSA-N 0 0 497.474 1.832 50 0 JDAARN CCOC(=O)N1CCN(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccc(C)cc3)C2)CC1 ZINC000020686831 195205181 /nfs/dbraw/zinc/20/51/81/195205181.db2.gz XQOCHICCUQDDRT-LJQANCHMSA-N 0 0 452.577 1.342 50 0 JDAARN CCOC(=O)N1CCN(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccc(F)cc3Cl)C2)CC1 ZINC000020686870 195205268 /nfs/dbraw/zinc/20/52/68/195205268.db2.gz BCEWTBKYOSWZER-INIZCTEOSA-N 0 0 490.985 1.826 50 0 JDAARN COc1ccc(CCN2C(=O)c3ccc(C(=O)N4CCN(C=O)CC4)cc3C2=O)cc1OC ZINC000020725200 195207399 /nfs/dbraw/zinc/20/73/99/195207399.db2.gz DRDRMJGTXYZMIH-UHFFFAOYSA-N 0 0 451.479 1.457 50 0 JDAARN COc1cc2ncn(CC(=O)NCC(=O)N3CCN(c4cccc(Cl)c4)CC3)c(=O)c2cc1OC ZINC000020730894 195210364 /nfs/dbraw/zinc/21/03/64/195210364.db2.gz XEKGUSKQYUJMKI-UHFFFAOYSA-N 0 0 499.955 1.532 50 0 JDAARN C[C@@H]1Cn2c3c(nc2N(c2ccc(Cl)cc2)C1)n(C)c(=O)n(CCN1CCOCC1)c3=O ZINC000020815402 195229395 /nfs/dbraw/zinc/22/93/95/195229395.db2.gz OZCOWTKMITUAGY-HNNXBMFYSA-N 0 0 458.950 1.670 50 0 JDAARN C[C@H](O)[C@@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)OCC(=O)NCc1cccs1 ZINC000020822371 195229653 /nfs/dbraw/zinc/22/96/53/195229653.db2.gz RNXLCJUIPCZIQC-MGPLVRAMSA-N 0 0 481.379 1.942 50 0 JDAARN C[C@@H](O)[C@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)OCC(=O)NCc1cccs1 ZINC000020822374 195229776 /nfs/dbraw/zinc/22/97/76/195229776.db2.gz RNXLCJUIPCZIQC-HWPZZCPQSA-N 0 0 481.379 1.942 50 0 JDAARN COc1cc2ncn(CC(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)c(=O)c2cc1OC ZINC000020745925 195215230 /nfs/dbraw/zinc/21/52/30/195215230.db2.gz AWKWYZHEOZKZIY-UHFFFAOYSA-N 0 0 466.494 1.487 50 0 JDAARN C[C@]1(C2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)NC(=O)N(CCN2CCOCC2)C1=O ZINC000020784660 195225343 /nfs/dbraw/zinc/22/53/43/195225343.db2.gz WTBBPWDHRUYOBD-HSZRJFAPSA-N 0 0 462.978 1.764 50 0 JDAARN COc1ccc(-c2[nH]c3c(c2-c2c(=O)[nH]c(=O)n(C)c2-n2cccc2)c(=O)[nH]c(=O)n3C)cc1OC ZINC000020896826 195240071 /nfs/dbraw/zinc/24/00/71/195240071.db2.gz DEDZDHFTOAMQNK-UHFFFAOYSA-N 0 0 490.476 1.084 50 0 JDAARN CN(CCn1cc(C(=O)N2CCN(C)CC2)nn1)S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000020916788 195246626 /nfs/dbraw/zinc/24/66/26/195246626.db2.gz HEMFQSSROMALJI-UHFFFAOYSA-N 0 0 460.482 1.005 50 0 JDAARN O=C(C1CCN(c2nn3c(nc4c(c3=O)CCCC4)s2)CC1)N1CCC2(CC1)OCCO2 ZINC000020864288 195234335 /nfs/dbraw/zinc/23/43/35/195234335.db2.gz DBPFZBHMXYAVKI-UHFFFAOYSA-N 0 0 459.572 1.612 50 0 JDAARN CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)OCC(=O)c2cc(C)n(C[C@@H]3CCCO3)c2C)cc1 ZINC000020866703 195234504 /nfs/dbraw/zinc/23/45/04/195234504.db2.gz YTCHBGIWGGJDGF-IBGZPJMESA-N 0 0 491.566 1.947 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O=C(c1cnc2sc(N3CCOCC3)nn2c1=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000020987280 195261203 /nfs/dbraw/zinc/26/12/03/195261203.db2.gz KATRPYNPTQFFSZ-UHFFFAOYSA-N 0 0 460.947 1.603 50 0 JDAARN O=C(Cn1cnc(S(=O)(=O)N2CCOCC2)c1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000020994666 195263384 /nfs/dbraw/zinc/26/33/84/195263384.db2.gz UPIQAYBTXOCTPI-UHFFFAOYSA-N 0 0 487.504 1.272 50 0 JDAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCOCC3)cc2C[C@@H]1C(=O)N(C)Cc1ccccc1 ZINC000021023276 195268425 /nfs/dbraw/zinc/26/84/25/195268425.db2.gz JVSVFTGSLMKMCH-JOCHJYFZSA-N 0 0 457.552 1.644 50 0 JDAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCCCC3)cc2C[C@@H]1C(=O)NCCCN1CCCC1=O ZINC000021023032 195268211 /nfs/dbraw/zinc/26/82/11/195268211.db2.gz JFXCPDDEEMEJFK-OAQYLSRUSA-N 0 0 476.599 1.268 50 0 JDAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCOCC3)cc2C[C@H]1C(=O)NCCSCc1ccco1 ZINC000021023400 195268378 /nfs/dbraw/zinc/26/83/78/195268378.db2.gz SGEWRJGTGHVBQP-NRFANRHFSA-N 0 0 493.607 1.628 50 0 JDAARN COc1ccccc1N1CCN(C(=O)CCn2nc(C)c(S(=O)(=O)N3CCOCC3)c2C)CC1 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CCn1cnc2c1c(=O)n(CC(=O)N(C)Cc1ccc3c(c1)OCO3)c(=O)n2Cc1ccccc1 ZINC000008778724 554675510 /nfs/dbraw/zinc/67/55/10/554675510.db2.gz PGDUWEGHILMDIF-UHFFFAOYSA-N 0 0 475.505 1.815 50 0 JDAARN COC(=O)[C@@H](Cc1ccccc1)NC(=O)CNS(=O)(=O)c1ccc(Br)cc1 ZINC000008781637 554678647 /nfs/dbraw/zinc/67/86/47/554678647.db2.gz NBXIBUUJLOHYCS-MRXNPFEDSA-N 0 0 455.330 1.628 50 0 JDAARN CN(C)S(=O)(=O)NCCNC(=O)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F ZINC000008781901 554679140 /nfs/dbraw/zinc/67/91/40/554679140.db2.gz VSHHOGVTSBUBEA-UHFFFAOYSA-N 0 0 467.388 1.695 50 0 JDAARN C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34/C=N/NC(N)=O)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1 ZINC000008788810 554680773 /nfs/dbraw/zinc/68/07/73/554680773.db2.gz GFJQQPYCTIQFPJ-BIRRBMNTSA-N 0 0 461.559 1.353 50 0 biogenic JDAARN C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34/C=N/NCCO)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1 ZINC000008788782 554680776 /nfs/dbraw/zinc/68/07/76/554680776.db2.gz KRTLUNZEHYQHDL-RNBMDMPNSA-N 0 0 462.587 1.267 50 0 biogenic 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O=C(COC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)N[C@@H]1CCS(=O)(=O)C1 ZINC000008824793 554712138 /nfs/dbraw/zinc/71/21/38/554712138.db2.gz ZRMSELUZBWHTAJ-UXHICEINSA-N 0 0 474.535 1.371 50 0 JDAARN CCOC(=O)CN(C(=O)COC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1)c1ccc(F)cc1 ZINC000008824826 554712340 /nfs/dbraw/zinc/71/23/40/554712340.db2.gz ZJOJRMJSFYZKOB-UHFFFAOYSA-N 0 0 480.514 1.894 50 0 JDAARN CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)OCn2nnc3ccccc3c2=O)c1 ZINC000008825076 554713079 /nfs/dbraw/zinc/71/30/79/554713079.db2.gz GFSKUQOIQMHJKD-UHFFFAOYSA-N 0 0 457.512 1.457 50 0 JDAARN COCCN(C(=O)CSc1nc2cc(Cl)cnc2[nH]1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000008825883 554714719 /nfs/dbraw/zinc/71/47/19/554714719.db2.gz CZGCQWCSRPYGHI-UHFFFAOYSA-N 0 0 481.966 1.471 50 0 JDAARN O=C(COC(=O)Cc1n[nH]c(=O)c2ccccc12)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000008825957 554714736 /nfs/dbraw/zinc/71/47/36/554714736.db2.gz IIIVTIQJQCYINI-UHFFFAOYSA-N 0 0 484.534 1.822 50 0 JDAARN CCCCn1c2ccc(S(N)(=O)=O)cc2nc1SCC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000008826101 554715175 /nfs/dbraw/zinc/71/51/75/554715175.db2.gz KDVFGHVJWSUPEM-UHFFFAOYSA-N 0 0 497.624 1.862 50 0 JDAARN O=C(COC(=O)c1cccc(N2C(=O)CCC2=O)c1)COC(=O)c1cccc(N2C(=O)CCC2=O)c1 ZINC000008826587 554716295 /nfs/dbraw/zinc/71/62/95/554716295.db2.gz VCKMNLCIHNOWCE-UHFFFAOYSA-N 0 0 492.440 1.576 50 0 JDAARN Cn1c2ccc(S(=O)(=O)N[C@H](C(=O)NC3CCCCC3)c3ccccc3)cc2c(=O)n(C)c1=O ZINC000008828556 554719051 /nfs/dbraw/zinc/71/90/51/554719051.db2.gz SCBBLNAQWHMGCR-NRFANRHFSA-N 0 0 484.578 1.706 50 0 aggregator JDAARN CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1OC ZINC000008829680 554719908 /nfs/dbraw/zinc/71/99/08/554719908.db2.gz JEMMGGSTUSIJIC-CQSZACIVSA-N 0 0 455.533 1.651 50 0 JDAARN CCOc1ccc(N2CCn3c2nn(CC(=O)N2CCN(c4ccccc4)CC2)c(=O)c3=O)cc1 ZINC000008849367 554746980 /nfs/dbraw/zinc/74/69/80/554746980.db2.gz QDRQYCUZAGDDMU-UHFFFAOYSA-N 0 0 476.537 1.304 50 0 JDAARN Cc1csc(CC(=O)N2CCN(C(=O)[C@H]3CCCN(S(=O)(=O)c4cccs4)C3)CC2)n1 ZINC000008853362 554749496 /nfs/dbraw/zinc/74/94/96/554749496.db2.gz MJXBKWUTBHUXSB-INIZCTEOSA-N 0 0 482.653 1.827 50 0 JDAARN COc1cc(C(=O)OCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)ccc1OC(F)F ZINC000008854118 554749804 /nfs/dbraw/zinc/74/98/04/554749804.db2.gz ZHIOQLMFNCJXQG-UHFFFAOYSA-N 0 0 458.439 1.460 50 0 JDAARN NC(=O)Cn1c(CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)nc2ccccc2c1=O ZINC000008855721 554751676 /nfs/dbraw/zinc/75/16/76/554751676.db2.gz FBSXCDIVWSQLIM-UHFFFAOYSA-N 0 0 467.485 1.877 50 0 JDAARN CCn1nc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)c2ccccc2c1=O ZINC000008855793 554751711 /nfs/dbraw/zinc/75/17/11/554751711.db2.gz AJFRNCPLEQFCHQ-UHFFFAOYSA-N 0 0 498.561 1.724 50 0 JDAARN NC(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1Cc1ccc(F)cc1 ZINC000008860878 554757508 /nfs/dbraw/zinc/75/75/08/554757508.db2.gz PCRXHFXGCKHRNZ-UHFFFAOYSA-N 0 0 491.570 1.731 50 0 JDAARN Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)N(c3ccccc3)[C@H]3CCS(=O)(=O)C3)C2=O)cc1 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CCCCOC(=O)Cn1c(=O)c2c(nc3n2C[C@H](O)CN3c2ccc(OCC)cc2)n(C)c1=O ZINC000008926028 554822324 /nfs/dbraw/zinc/82/23/24/554822324.db2.gz AJXBNSTZONWBHF-MRXNPFEDSA-N 0 0 471.514 1.151 50 0 JDAARN O=C(NN1C(=O)c2ccccc2C1=O)c1ccc(C(=O)NN2C(=O)c3ccccc3C2=O)cc1 ZINC000008927096 554824509 /nfs/dbraw/zinc/82/45/09/554824509.db2.gz YJRLCOZPULWLRH-UHFFFAOYSA-N 0 0 454.398 1.569 50 0 JDAARN CCOc1ccc(Br)cc1S(=O)(=O)N(CC)CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000008939026 554831208 /nfs/dbraw/zinc/83/12/08/554831208.db2.gz KMKMYYSEFNKADH-ZDUSSCGKSA-N 0 0 483.406 1.162 50 0 JDAARN COc1ccc(OCc2nnc(SCC(=O)N3CC(=O)NC(=O)C34CCCCC4)n2C)cc1 ZINC000008940034 554831496 /nfs/dbraw/zinc/83/14/96/554831496.db2.gz QKWIIGNQZOWOLF-UHFFFAOYSA-N 0 0 473.555 1.683 50 0 JDAARN O=C(COC(=O)[C@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1)NC(=O)NC1CCCC1 ZINC000008945758 554833489 /nfs/dbraw/zinc/83/34/89/554833489.db2.gz NCBBMLSKQBNTOE-AWEZNQCLSA-N 0 0 462.528 1.159 50 0 JDAARN CCOC(=O)C1=c2s/c(=C/c3ccccc3)c(=O)n2C(N)=C(C(=O)OCC)[C@@H]1c1ccccc1 ZINC000008951216 554833913 /nfs/dbraw/zinc/83/39/13/554833913.db2.gz PHFSXCSUCQEIDH-DGDHUYAWSA-N 0 0 476.554 1.940 50 0 JDAARN O=c1c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]3O)cc2occ1-c1ccc2ccccc2n1 ZINC000008964754 554838765 /nfs/dbraw/zinc/83/87/65/554838765.db2.gz SOJCSFAYZGNMEP-JTYPQFNSSA-N 0 0 451.431 1.187 50 0 biogenic JDAARN O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000008965523 554840151 /nfs/dbraw/zinc/84/01/51/554840151.db2.gz NHJRAEJZFRBRCG-UHFFFAOYSA-N 0 0 468.535 1.482 50 0 JDAARN C[C@]1(c2ccc3c(c2)OCCCO3)NC(=O)N(CC(=O)N2CCN(C(=O)c3ccco3)CC2)C1=O ZINC000008965784 554841013 /nfs/dbraw/zinc/84/10/13/554841013.db2.gz QMKOBRNQHFMXIM-XMMPIXPASA-N 0 0 482.493 1.193 50 0 JDAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CC(=O)N(c4ccc5c(c4)OCCO5)C3)CC2)cc1 ZINC000008965884 554841257 /nfs/dbraw/zinc/84/12/57/554841257.db2.gz NMSWVHJTMOVODA-SFHVURJKSA-N 0 0 485.562 1.652 50 0 JDAARN Cc1c2oc3c(c2cc2c(C)c(CC(=O)N[C@@H]4CS(=O)(=O)C[C@H]4O)c(=O)oc12)CCCC3 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/nfs/dbraw/zinc/89/55/15/555895515.db2.gz VDHFTDRSARAFTA-HNNXBMFYSA-N 0 0 463.585 1.264 50 0 JDAARN COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1C(=O)OCC(=O)N1C(C)(C)CC(=O)CC1(C)C ZINC000022240128 555895541 /nfs/dbraw/zinc/89/55/41/555895541.db2.gz UWLSPCNWSFDIST-UHFFFAOYSA-N 0 0 464.515 1.392 50 0 JDAARN C[C@]12CCC(=O)N1[C@@H](C(=O)Nc1cc(S(=O)(=O)N3CCOCC3)ccc1N1CCCC1)CS2 ZINC000015316217 555896675 /nfs/dbraw/zinc/89/66/75/555896675.db2.gz HCPLTINMCMLTKG-KNQAVFIVSA-N 0 0 494.639 1.700 50 0 JDAARN Cc1sc2nc(CN3CCN(CC(=O)Nc4sccc4C(N)=O)CC3)[nH]c(=O)c2c1C ZINC000022247168 555897224 /nfs/dbraw/zinc/89/72/24/555897224.db2.gz DVTHBVBTUCIPBI-UHFFFAOYSA-N 0 0 460.585 1.518 50 0 JDAARN Cc1sc2nc(CN3CCN(CC(=O)N4CC(=O)Nc5ccccc54)CC3)[nH]c(=O)c2c1C ZINC000022247258 555897236 /nfs/dbraw/zinc/89/72/36/555897236.db2.gz QVRYXBYUUOLWPT-UHFFFAOYSA-N 0 0 466.567 1.704 50 0 JDAARN COC(=O)CN(C)C(=O)C[C@@]1(c2ccccc2)CC(=O)N(CCCOc2cccnc2)C1=O ZINC000012054794 555897808 /nfs/dbraw/zinc/89/78/08/555897808.db2.gz 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Cc1ccc(CNC(=O)C(=O)NC[C@H]2OCCN2S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000012080801 555904156 /nfs/dbraw/zinc/90/41/56/555904156.db2.gz MVUFJYQYXDUEOR-GOSISDBHSA-N 0 0 496.383 1.537 50 0 JDAARN O=C(NCc1ccccc1)C(=O)NC[C@H]1OCCN1S(=O)(=O)c1ccc(Br)cc1 ZINC000012080798 555904194 /nfs/dbraw/zinc/90/41/94/555904194.db2.gz ZFYUZIREZDQMBF-QGZVFWFLSA-N 0 0 482.356 1.229 50 0 JDAARN Cc1ccc(C)c(S(=O)(=O)N2CCN(CC(=O)NN3C(=O)NC4(CCC(C)CC4)C3=O)CC2)c1 ZINC000015411444 555904369 /nfs/dbraw/zinc/90/43/69/555904369.db2.gz HHFIDCSWDNWBTN-UHFFFAOYSA-N 0 0 491.614 1.142 50 0 JDAARN COc1c2c(cc3c1[C@H](c1nnnn1-c1ccc(C(=O)N4CCN(C)CC4)cc1)N(C)CC3)OCO2 ZINC000015414745 555906093 /nfs/dbraw/zinc/90/60/93/555906093.db2.gz YCNZDDKPUKKUQJ-OAQYLSRUSA-N 0 0 491.552 1.365 50 0 biogenic JDAARN COc1c2c(cc3c1[C@H](c1nnnn1-c1ccc(C(=O)N(C)CCO)cc1)N(C)CC3)OCO2 ZINC000015414963 555906387 /nfs/dbraw/zinc/90/63/87/555906387.db2.gz LSSSOTDRWOQTDB-LJQANCHMSA-N 0 0 466.498 1.041 50 0 biogenic JDAARN COc1c2c(cc3c1[C@H](c1nnnn1-c1ccccc1C(=O)N1CCN(C)CC1)N(C)CC3)OCO2 ZINC000015414927 555906490 /nfs/dbraw/zinc/90/64/90/555906490.db2.gz KJCFSLVPOBZZQK-OAQYLSRUSA-N 0 0 491.552 1.365 50 0 biogenic JDAARN COc1c2c(cc3c1[C@H](c1nnnn1-c1ccc(C(=O)NC[C@@H]4CCCO4)cc1)N(C)CC3)OCO2 ZINC000015414849 555906599 /nfs/dbraw/zinc/90/65/99/555906599.db2.gz BJSVWNJSFKEJMP-GHTZIAJQSA-N 0 0 492.536 1.886 50 0 biogenic JDAARN COc1c2c(cc3c1[C@H](c1nnnn1-c1ccccc1C(=O)NCCCO)N(C)CC3)OCO2 ZINC000015415045 555906935 /nfs/dbraw/zinc/90/69/35/555906935.db2.gz BIXVETHIBHHCOG-LJQANCHMSA-N 0 0 466.498 1.089 50 0 biogenic JDAARN CN(CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1)C[C@H]1COc2ccccc2O1 ZINC000015447104 555909467 /nfs/dbraw/zinc/90/94/67/555909467.db2.gz ZYMOEACHHQWFGG-FQEVSTJZSA-N 0 0 459.568 1.432 50 0 JDAARN Cc1cccc(NC(=O)CN(C)CC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)c1C ZINC000015480278 555910781 /nfs/dbraw/zinc/91/07/81/555910781.db2.gz YWZOLBDPJZGIAY-UHFFFAOYSA-N 0 0 476.574 1.846 50 0 JDAARN COc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3ccccc3S(C)(=O)=O)CC2)cc1OC ZINC000015520432 555913018 /nfs/dbraw/zinc/91/30/18/555913018.db2.gz SGUUYTSUIJQSCY-UHFFFAOYSA-N 0 0 497.595 1.052 50 0 JDAARN COc1ccc(CC(=O)NC(=S)N2CCNC(=O)[C@H]2CC(=O)OCCc2ccccc2)cc1 ZINC000012137535 555914987 /nfs/dbraw/zinc/91/49/87/555914987.db2.gz TZDRQUFMRMWYEF-HXUWFJFHSA-N 0 0 469.563 1.615 50 0 JDAARN COc1ccc(CC(=O)NC(=S)N2CCNC(=O)[C@@H]2CC(=O)OCCc2ccccc2)cc1 ZINC000012137534 555915054 /nfs/dbraw/zinc/91/50/54/555915054.db2.gz TZDRQUFMRMWYEF-FQEVSTJZSA-N 0 0 469.563 1.615 50 0 JDAARN CCCCOC(=O)c1ccc(NC(=O)Cn2c(=O)c(N3CCOCC3)c(N)n(CCC)c2=O)cc1 ZINC000015554160 555915449 /nfs/dbraw/zinc/91/54/49/555915449.db2.gz CBVRVEKDDNIZBS-UHFFFAOYSA-N 0 0 487.557 1.434 50 0 JDAARN COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)C(=O)NC3=O)cc1 ZINC000012139978 555916543 /nfs/dbraw/zinc/91/65/43/555916543.db2.gz QGUCOVLTRVXWDP-UHFFFAOYSA-N 0 0 461.496 1.106 50 0 JDAARN CC(C)Oc1ccc(S(=O)(=O)N2CCCCC2)cc1NCC(=O)N(C)CC(=O)NC1CC1 ZINC000015583972 555916908 /nfs/dbraw/zinc/91/69/08/555916908.db2.gz MJRVORDFAXEQPD-UHFFFAOYSA-N 0 0 466.604 1.797 50 0 JDAARN O=C(NCc1ccc(F)cc1)C(=O)NC[C@H]1OCCCN1S(=O)(=O)c1ccc(F)cc1 ZINC000012140191 555917089 /nfs/dbraw/zinc/91/70/89/555917089.db2.gz SZBHYRCSZONFCX-GOSISDBHSA-N 0 0 453.467 1.135 50 0 JDAARN COc1ccc(CNC(=O)C(=O)NC[C@@H]2OCCCN2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000012140192 555917101 /nfs/dbraw/zinc/91/71/01/555917101.db2.gz ZESCQKNXMSBBKQ-FQEVSTJZSA-N 0 0 461.540 1.173 50 0 JDAARN CCN(CC)C(=O)CSc1nnc(SCC(=O)NCC2(N3CCOCC3)CCCCC2)n1N ZINC000022281341 555917099 /nfs/dbraw/zinc/91/70/99/555917099.db2.gz LATDOFUKAZFZII-UHFFFAOYSA-N 0 0 499.707 1.196 50 0 JDAARN Cc1ccc(S(=O)(=O)N2CCCO[C@@H]2CNC(=O)C(=O)NCCc2c[nH]c3ccccc23)cc1 ZINC000012140196 555917263 /nfs/dbraw/zinc/91/72/63/555917263.db2.gz YIOKCFHYBLQBAG-JOCHJYFZSA-N 0 0 484.578 1.689 50 0 aggregator JDAARN COc1ccccc1CNC(=O)C(=O)NC[C@@H]1OCCCN1S(=O)(=O)c1cc(F)ccc1F ZINC000012140265 555917555 /nfs/dbraw/zinc/91/75/55/555917555.db2.gz STIFAMGTXYSTCY-IBGZPJMESA-N 0 0 483.493 1.143 50 0 JDAARN Cc1ccc(CNC(=O)C(=O)NC[C@H]2OCCCN2S(=O)(=O)c2cc(F)ccc2F)cc1 ZINC000012140248 555917561 /nfs/dbraw/zinc/91/75/61/555917561.db2.gz WSQSYERUAASGON-LJQANCHMSA-N 0 0 467.494 1.443 50 0 JDAARN O=C(NCc1ccc(F)cc1)C(=O)NC[C@@H]1OCCCN1S(=O)(=O)c1cc(F)ccc1F ZINC000012140253 555917579 /nfs/dbraw/zinc/91/75/79/555917579.db2.gz LGIAZKMBWCMTNF-SFHVURJKSA-N 0 0 471.457 1.274 50 0 JDAARN O=C(NCCc1ccccc1)C(=O)NC[C@@H]1OCCCN1S(=O)(=O)c1cc(F)ccc1F ZINC000012140264 555917603 /nfs/dbraw/zinc/91/76/03/555917603.db2.gz GPOXWUCBPNYUIE-IBGZPJMESA-N 0 0 467.494 1.177 50 0 JDAARN O=C(NCc1ccccc1)C(=O)NC[C@@H]1OCCCN1S(=O)(=O)c1cc(F)ccc1F ZINC000012140244 555917605 /nfs/dbraw/zinc/91/76/05/555917605.db2.gz OOQYYJQVLUFSQD-SFHVURJKSA-N 0 0 453.467 1.135 50 0 JDAARN CNC(=O)c1ccc(S(=O)(=O)N2CCN([C@H](C(=O)OC)c3ccccc3Cl)CC2)cc1 ZINC000022287336 555917905 /nfs/dbraw/zinc/91/79/05/555917905.db2.gz TURMDMDJSFOUIX-IBGZPJMESA-N 0 0 465.959 1.920 50 0 JDAARN Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N(Cc2ccco2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000015623928 555920083 /nfs/dbraw/zinc/92/00/83/555920083.db2.gz LZZQOTXVPMFNHJ-XLIONFOSSA-N 0 0 466.581 1.957 50 0 JDAARN Cn1c(=O)c(C(=O)CN2CCN(c3ccccc3Cl)CC2)c(N)n(Cc2ccccc2)c1=O ZINC000015624046 555920435 /nfs/dbraw/zinc/92/04/35/555920435.db2.gz WNYNQXPVECBPGD-UHFFFAOYSA-N 0 0 467.957 1.836 50 0 JDAARN COc1ccccc1CNC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCOCC3)cc21 ZINC000015653624 555922174 /nfs/dbraw/zinc/92/21/74/555922174.db2.gz AUNDNJMWOYOKHU-UHFFFAOYSA-N 0 0 457.508 1.488 50 0 JDAARN CN1CCN(c2c(F)cc3c(=O)c(C(=O)Nc4cc(F)c(F)cc4N)cn4c3c2OCN4C)CC1 ZINC000015659813 555922984 /nfs/dbraw/zinc/92/29/84/555922984.db2.gz SVYPCJVYMPANOR-UHFFFAOYSA-N 0 0 488.470 1.923 50 0 JDAARN COC(=O)CN(C(=S)Nc1ccc(OC)cc1)[C@@H]1CC(=O)N(c2ccc(C(=O)OC)cc2)C1=O ZINC000015660045 555923021 /nfs/dbraw/zinc/92/30/21/555923021.db2.gz JMLHDHMXMFDDTG-GOSISDBHSA-N 0 0 485.518 1.986 50 0 JDAARN Cc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccccc3)n2)cc1S(=O)(=O)N1CCOCC1 ZINC000015669231 555923562 /nfs/dbraw/zinc/92/35/62/555923562.db2.gz GKLJRMLVYNXOAD-UHFFFAOYSA-N 0 0 468.535 1.878 50 0 JDAARN Cc1ccc(-c2ccc(=O)n(CC(=O)N3CCc4ccccc43)n2)cc1S(=O)(=O)N1CCOCC1 ZINC000015669229 555923636 /nfs/dbraw/zinc/92/36/36/555923636.db2.gz PCFMTDSNWBBWCQ-UHFFFAOYSA-N 0 0 494.573 1.829 50 0 JDAARN CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NC[C@@H](c2cccs2)N2CCOCC2)cc1 ZINC000022358495 555925382 /nfs/dbraw/zinc/92/53/82/555925382.db2.gz BGAOXWXBKLHIQI-IBGZPJMESA-N 0 0 480.612 1.517 50 0 JDAARN CN(C[C@H]1COCCO1)C(=O)C[C@@]1(c2cccc(F)c2)CC(=O)N(Cc2cccnc2)C1=O ZINC000012152950 555927296 /nfs/dbraw/zinc/92/72/96/555927296.db2.gz ACNAWVLMVWPFJY-RDPSFJRHSA-N 0 0 455.486 1.682 50 0 JDAARN Cc1cn2c(nc3c2c(=O)n(CCN2CCOCC2)c(=O)n3C)n1-c1cc(Cl)ccc1C ZINC000022384931 555928235 /nfs/dbraw/zinc/92/82/35/555928235.db2.gz ROEYBIFSROFURF-UHFFFAOYSA-N 0 0 456.934 1.741 50 0 JDAARN Cc1cn2c(nc3c2c(=O)n(CCN2CCOCC2)c(=O)n3C)n1-c1cccc(Cl)c1C ZINC000022385908 555928454 /nfs/dbraw/zinc/92/84/54/555928454.db2.gz CKNROYOVQULUKD-UHFFFAOYSA-N 0 0 456.934 1.741 50 0 JDAARN COc1ccc(N2CCn3c2nc2c3c(=O)n(CCN3CCOCC3)c(=O)n2C)cc1Cl ZINC000022386132 555928460 /nfs/dbraw/zinc/92/84/60/555928460.db2.gz KCSCPISAMWOPEL-UHFFFAOYSA-N 0 0 460.922 1.043 50 0 JDAARN Cc1ccc(N2C[C@H](C)Cn3c4c(nc32)n(C)c(=O)n(CCN2CCOCC2)c4=O)cc1C ZINC000022385766 555928505 /nfs/dbraw/zinc/92/85/05/555928505.db2.gz LIGIHTRZFDFDAN-INIZCTEOSA-N 0 0 452.559 1.634 50 0 JDAARN Cc1cn2c(nc3c2c(=O)n(Cc2ccc(Cl)cc2)c(=O)n3C)n1CCN1CCOCC1 ZINC000022385905 555928562 /nfs/dbraw/zinc/92/85/62/555928562.db2.gz NVPPJSZTNPDJCN-UHFFFAOYSA-N 0 0 456.934 1.492 50 0 JDAARN CCOC(=O)N1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2C/C=C/c2ccccc2)CC1 ZINC000022385937 555928600 /nfs/dbraw/zinc/92/86/00/555928600.db2.gz GUCPYRXSZLKAED-DHZHZOJOSA-N 0 0 466.542 1.421 50 0 JDAARN O=C(CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)Nc1ccc(N2CCCC2)nc1 ZINC000022391468 555928935 /nfs/dbraw/zinc/92/89/35/555928935.db2.gz CMFCDTARJHSZPG-UHFFFAOYSA-N 0 0 471.583 1.934 50 0 JDAARN Cc1noc(C)c1CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 ZINC000022394800 555928951 /nfs/dbraw/zinc/92/89/51/555928951.db2.gz LLEUIFJREJUZBQ-UHFFFAOYSA-N 0 0 464.544 1.330 50 0 JDAARN Cc1c(C)n2c(nc3c2c(=O)n(Cc2cc(C)ccc2C)c(=O)n3C)n1CCN1CCOCC1 ZINC000022406103 555929345 /nfs/dbraw/zinc/92/93/45/555929345.db2.gz QBDBNTQQIDOXNN-UHFFFAOYSA-N 0 0 464.570 1.764 50 0 JDAARN CCOc1ccccc1-n1c(C)c(C)n2c1nc1c2c(=O)n(CCN2CCOCC2)c(=O)n1C ZINC000022406114 555929393 /nfs/dbraw/zinc/92/93/93/555929393.db2.gz RSVWSTUWKOZSPW-UHFFFAOYSA-N 0 0 466.542 1.486 50 0 JDAARN CCN(C(=O)[C@@H](C)Sc1nc(CN2CCOCC2)nc2ccccc21)[C@H]1CCS(=O)(=O)C1 ZINC000022405923 555929413 /nfs/dbraw/zinc/92/94/13/555929413.db2.gz ZBTDQHTXMWHBNE-SJORKVTESA-N 0 0 478.640 1.978 50 0 JDAARN COc1ccc(Cn2c(C)c(C)n3c2nc2c3c(=O)n(CCN3CCOCC3)c(=O)n2C)cc1 ZINC000022406482 555929596 /nfs/dbraw/zinc/92/95/96/555929596.db2.gz AJWKQXGQRKOVFC-UHFFFAOYSA-N 0 0 466.542 1.155 50 0 JDAARN COc1ccc(Cl)cc1-n1c(C)cn2c1nc1c2c(=O)n(CCN2CCOCC2)c(=O)n1C ZINC000022406130 555929630 /nfs/dbraw/zinc/92/96/30/555929630.db2.gz SVXUGRNBOONDLD-UHFFFAOYSA-N 0 0 472.933 1.441 50 0 JDAARN Cc1c(C)n(-c2ccc(C)cc2C)c2nc3c(c(=O)n(CCN4CCOCC4)c(=O)n3C)n12 ZINC000022409201 555929900 /nfs/dbraw/zinc/92/99/00/555929900.db2.gz ATXONHJCLQSPBJ-UHFFFAOYSA-N 0 0 450.543 1.704 50 0 JDAARN O=C(NCCCS(=O)(=O)N1CCN(c2ccccn2)CC1)c1ccc(Br)o1 ZINC000012163291 555931908 /nfs/dbraw/zinc/93/19/08/555931908.db2.gz MIUXPAYDSSFVQZ-UHFFFAOYSA-N 0 0 457.350 1.709 50 0 JDAARN COc1cc(C[C@@]2(CCC(=O)N3CCC[C@H](C(=O)N4CCOCC4)C3)CCC(=O)N2)ccc1F ZINC000012183691 555936036 /nfs/dbraw/zinc/93/60/36/555936036.db2.gz OLJRCVISQJPJEC-DFBJGRDBSA-N 0 0 475.561 1.903 50 0 JDAARN CCN(CCCNC(=O)[C@@H]1CCCN(S(=O)(=O)N2CCOCC2)C1)c1cccc(C)c1 ZINC000015677775 555941843 /nfs/dbraw/zinc/94/18/43/555941843.db2.gz SIGMJJHMNAUHFU-HXUWFJFHSA-N 0 0 452.621 1.617 50 0 JDAARN COc1ccc(CCNC(=O)[C@@H]2CCCN(S(=O)(=O)N3CCC4(CC3)OCCO4)C2)cc1OC ZINC000015677785 555941917 /nfs/dbraw/zinc/94/19/17/555941917.db2.gz WPUGXCQRZJRZJF-LJQANCHMSA-N 0 0 497.614 1.158 50 0 JDAARN CCOC(=O)N1CCN(C(=O)[C@H]2CC23CCN(C(=O)CCn2c4ccccc4[nH]c2=O)CC3)CC1 ZINC000012211825 555943449 /nfs/dbraw/zinc/94/34/49/555943449.db2.gz FFGWWHXBDFVYBP-GOSISDBHSA-N 0 0 483.569 1.649 50 0 JDAARN COC(=O)C[C@@H]1C(=O)NCCN1C(=O)CC[C@]1(Cc2ccc3ccccc3c2)CCC(=O)N1 ZINC000012212745 555943602 /nfs/dbraw/zinc/94/36/02/555943602.db2.gz QQLCDGZULUGJPK-NLFFAJNJSA-N 0 0 451.523 1.701 50 0 JDAARN COc1ccc(-c2noc(N3CCC[C@@H](C(=O)NCCc4ccc(S(N)(=O)=O)cc4)C3)n2)cc1 ZINC000015679005 555944493 /nfs/dbraw/zinc/94/44/93/555944493.db2.gz SJFDIZUFYLFNMC-GOSISDBHSA-N 0 0 485.566 1.968 50 0 JDAARN Cc1ccc(CNC(=O)[C@]2(C)CN(S(C)(=O)=O)CC(=O)N2c2ccc(F)cc2F)cc1 ZINC000015680277 555947711 /nfs/dbraw/zinc/94/77/11/555947711.db2.gz SBHVJMLHICLRTM-NRFANRHFSA-N 0 0 451.495 1.957 50 0 JDAARN COC(=O)C[C@H]1C(=O)NCCN1C(=S)NC(=O)CCCOc1ccc(Cl)cc1Cl ZINC000012292504 555949216 /nfs/dbraw/zinc/94/92/16/555949216.db2.gz FYQKLSFTPYQQBT-ZDUSSCGKSA-N 0 0 462.355 1.917 50 0 JDAARN COc1cc(C(c2oc(CO)cc(=O)c2O)c2oc(CO)cc(=O)c2O)cc(OC)c1OC ZINC000012292349 555949376 /nfs/dbraw/zinc/94/93/76/555949376.db2.gz FWMZIACNMHIHCG-UHFFFAOYSA-N 0 0 462.407 1.195 50 0 biogenic JDAARN Cc1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1S(=O)(=O)N(C)C ZINC000012311462 555949938 /nfs/dbraw/zinc/94/99/38/555949938.db2.gz XCTJLXPYJUFAQI-UHFFFAOYSA-N 0 0 467.569 1.519 50 0 JDAARN CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)c1 ZINC000012311570 555949978 /nfs/dbraw/zinc/94/99/78/555949978.db2.gz FSKMGWYPMMFTFM-UHFFFAOYSA-N 0 0 457.917 1.374 50 0 JDAARN O=C(CNC(=O)[C@H]1CCCN(S(=O)(=O)c2cccc3nsnc32)C1)N1CCCCC1 ZINC000012321343 555951432 /nfs/dbraw/zinc/95/14/32/555951432.db2.gz PWJPXGJTDTYACU-AWEZNQCLSA-N 0 0 451.574 1.221 50 0 JDAARN C[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2cccc3nsnc32)C1)C(=O)N1CCCC1 ZINC000012322340 555952466 /nfs/dbraw/zinc/95/24/66/555952466.db2.gz 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Cc1cc(C)c(S(=O)(=O)N2CCCC[C@H]2CCNC(=O)C(=O)NCCN2CCOCC2)c(C)c1 ZINC000022851106 555956953 /nfs/dbraw/zinc/95/69/53/555956953.db2.gz IGDGADIDUHTKKQ-NRFANRHFSA-N 0 0 494.658 1.110 50 0 JDAARN COC(=O)N1CCc2c(sc(NC(=O)c3ccc(N4C(=O)CCC4=O)cc3)c2C(N)=O)C1 ZINC000012361161 555957517 /nfs/dbraw/zinc/95/75/17/555957517.db2.gz ZJKYUUNZXQWGSK-UHFFFAOYSA-N 0 0 456.480 1.877 50 0 JDAARN COCCCNC(=O)C(=O)NC[C@H](c1ccc2c(c1)OCO2)N1CCN(c2ccc(F)cc2)CC1 ZINC000022851465 555957558 /nfs/dbraw/zinc/95/75/58/555957558.db2.gz PXQNRMHOISOLQA-OAQYLSRUSA-N 0 0 486.544 1.687 50 0 JDAARN CN1C(=O)c2cc(C(=O)N3CCC4(CC3)OCCO4)nn2C[C@]1(C)C(=O)NC1CCCCC1 ZINC000015723740 555958420 /nfs/dbraw/zinc/95/84/20/555958420.db2.gz REDULYHXOFBEEN-JOCHJYFZSA-N 0 0 459.547 1.155 50 0 biogenic JDAARN CN1C(=O)c2cc(C(=O)N3CCC4(CC3)OCCO4)nn2C[C@@]1(C)C(=O)NCc1ccccc1 ZINC000015723802 555958675 /nfs/dbraw/zinc/95/86/75/555958675.db2.gz MIFVYDFTNHVMFW-QHCPKHFHSA-N 0 0 467.526 1.023 50 0 biogenic JDAARN 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Cc1cc(NC(=O)CN2CCN(C(=O)c3ccccc3F)CC2)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000022892327 555964181 /nfs/dbraw/zinc/96/41/81/555964181.db2.gz KFTDQXFXQGYQRT-MRXNPFEDSA-N 0 0 463.535 1.087 50 0 JDAARN O=C(NCc1ccc(CN2CCOCC2)cc1)c1nc(CS(=O)(=O)c2ccccc2)no1 ZINC000012376826 555964631 /nfs/dbraw/zinc/96/46/31/555964631.db2.gz PISFKGZLDCHTNG-UHFFFAOYSA-N 0 0 456.524 1.806 50 0 JDAARN COc1ccc(S(=O)(=O)NCCC(=O)N2CCN(Cc3nc(-c4ccsc4)no3)CC2)cc1 ZINC000022901616 555964776 /nfs/dbraw/zinc/96/47/76/555964776.db2.gz KDISRNOWXDOUAH-UHFFFAOYSA-N 0 0 491.595 1.820 50 0 JDAARN O=C(COc1ccc(Cl)cc1S(=O)(=O)NCCOc1ccccc1)N1CCOCC1 ZINC000012376795 555964709 /nfs/dbraw/zinc/96/47/09/555964709.db2.gz PUFNAJVODUFUHZ-UHFFFAOYSA-N 0 0 454.932 1.935 50 0 JDAARN O=C(NC1CCN(C(=O)c2ccoc2)CC1)[C@H]1CCCN1S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000022900866 555964807 /nfs/dbraw/zinc/96/48/07/555964807.db2.gz ISKSYFLTXCFSIQ-LJQANCHMSA-N 0 0 489.550 1.625 50 0 JDAARN COc1ccc(OC)c(NC(=O)CSc2nc(=O)n(CCN3CCOCC3)c3c2CCC3)c1 ZINC000022908850 555965518 /nfs/dbraw/zinc/96/55/18/555965518.db2.gz FWBZRGPKSDSCDD-UHFFFAOYSA-N 0 0 474.583 1.812 50 0 JDAARN O=C(CSc1nc(=O)n(CCCN2CCOCC2)c2c1CCC2)Nc1ccc2c(c1)OCCO2 ZINC000022908957 555965939 /nfs/dbraw/zinc/96/59/39/555965939.db2.gz MICWOIUXDAVHIS-UHFFFAOYSA-N 0 0 486.594 1.956 50 0 JDAARN Cc1nnc(NC(=O)CSc2nc(=O)n(CCN3CCOCC3)c3c2CCCC3)s1 ZINC000022909150 555966926 /nfs/dbraw/zinc/96/69/26/555966926.db2.gz JNANGSGFJFSNOD-UHFFFAOYSA-N 0 0 450.590 1.345 50 0 JDAARN CC(=O)N1c2ccccc2C2(OCC3(CO2)COC2(OC3)c3ccccc3N(C(C)=O)C2=O)C1=O ZINC000012379469 555967430 /nfs/dbraw/zinc/96/74/30/555967430.db2.gz AXLIEXLPALTVRH-UHFFFAOYSA-N 0 0 478.457 1.559 50 0 JDAARN CC(=O)c1cccc(N(CC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)S(C)(=O)=O)c1 ZINC000012380193 555968572 /nfs/dbraw/zinc/96/85/72/555968572.db2.gz NWPAOAOUXADNHM-UHFFFAOYSA-N 0 0 473.551 1.728 50 0 JDAARN O=C(CN1CCN(CC(=O)N2CCCCCC2)CC1)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000022913914 555968960 /nfs/dbraw/zinc/96/89/60/555968960.db2.gz GKLLDLYCRIEXGM-UHFFFAOYSA-N 0 0 459.547 1.126 50 0 JDAARN COc1ccc(S(=O)(=O)N2CCN(CCNC(=O)COc3ccccc3OC)CC2)cc1 ZINC000015730001 555970979 /nfs/dbraw/zinc/97/09/79/555970979.db2.gz DZEHMILFBSUZPW-UHFFFAOYSA-N 0 0 463.556 1.205 50 0 JDAARN C[C@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)N1CCN(Cc2ccccc2)CC1 ZINC000022917405 555971007 /nfs/dbraw/zinc/97/10/07/555971007.db2.gz ZKBBGEXBYXHXEQ-HXUWFJFHSA-N 0 0 472.611 1.852 50 0 JDAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCN(Cc4ccccc4)CC3)CC2)c(C)c1 ZINC000022917963 555972017 /nfs/dbraw/zinc/97/20/17/555972017.db2.gz UYRPSKQERWVSLZ-UHFFFAOYSA-N 0 0 470.639 1.954 50 0 JDAARN COc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(Cl)c4nonc43)CC2)cc1 ZINC000012389724 555972950 /nfs/dbraw/zinc/97/29/50/555972950.db2.gz KOCMZMKPBNREMS-UHFFFAOYSA-N 0 0 472.932 1.580 50 0 JDAARN Cc1cccc(NC(=O)CN2CCN(CN3C(=O)C(=O)N(Cc4cccs4)C3=O)CC2)c1C ZINC000022919707 555973618 /nfs/dbraw/zinc/97/36/18/555973618.db2.gz XKQYRTPZOFAAGH-UHFFFAOYSA-N 0 0 469.567 1.870 50 0 JDAARN COc1ccc(CCNC(=O)C2=C(C)C(=O)OC23CCN(S(C)(=O)=O)CC3)cc1OC ZINC000015731363 555974437 /nfs/dbraw/zinc/97/44/37/555974437.db2.gz CUMAXCMTDVGNOM-UHFFFAOYSA-N 0 0 452.529 1.030 50 0 biogenic JDAARN O=C(CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2cccc3nsnc32)C1)N1CCCC1 ZINC000012391316 555974629 /nfs/dbraw/zinc/97/46/29/555974629.db2.gz SMZMKOZOWMGRRF-AWEZNQCLSA-N 0 0 451.574 1.221 50 0 JDAARN O=S(=O)(c1cccs1)[C@H]1CS(=O)(=O)C[C@@H]1N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000022923834 555976283 /nfs/dbraw/zinc/97/62/83/555976283.db2.gz GAIUFDHFOPJGEZ-LPHOPBHVSA-N 0 0 484.621 1.234 50 0 JDAARN Cc1cc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2N2CCN(Cc3ccccc3)CC2)ccc1F ZINC000022923883 555976531 /nfs/dbraw/zinc/97/65/31/555976531.db2.gz JZUODUCIBUAZGW-VXKWHMMOSA-N 0 0 466.600 1.891 50 0 JDAARN C=C1C(N2CCC(C(=O)NCCN3CCOCC3)CC2)=NS(=O)(=O)C1c1ccc(C)c(C)c1 ZINC000015732947 555977684 /nfs/dbraw/zinc/97/76/84/555977684.db2.gz URWQKARSEDGYHO-UHFFFAOYSA-N 0 0 474.627 1.937 50 0 JDAARN C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000022928340 555979005 /nfs/dbraw/zinc/97/90/05/555979005.db2.gz UTRQKKDVTIQOPZ-NRFANRHFSA-N 0 0 450.583 1.757 50 0 JDAARN COc1cccc(NC(=O)[C@@H](c2ccccc2)N2CCN(CC(=O)N3CCOCC3)CC2)c1 ZINC000022928698 555979655 /nfs/dbraw/zinc/97/96/55/555979655.db2.gz VOFKQSUNCYZDEH-XMMPIXPASA-N 0 0 452.555 1.851 50 0 JDAARN COc1cccc(NC(=O)[C@H](c2ccccc2)N2CCN(CC(=O)N3CCOCC3)CC2)c1 ZINC000022928694 555979818 /nfs/dbraw/zinc/97/98/18/555979818.db2.gz VOFKQSUNCYZDEH-DEOSSOPVSA-N 0 0 452.555 1.851 50 0 JDAARN C[C@@]1(c2ccc(F)c(F)c2)NC(=O)N(CN2CCN(CC(=O)N3CCCCCC3)CC2)C1=O ZINC000022928599 555979856 /nfs/dbraw/zinc/97/98/56/555979856.db2.gz TZKMXWAXCOFHFZ-QHCPKHFHSA-N 0 0 463.529 1.710 50 0 JDAARN Cc1ccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)OCCO3)cc1S(=O)(=O)N(C)C ZINC000015736370 555983392 /nfs/dbraw/zinc/98/33/92/555983392.db2.gz IHAPQGGDDJSXIB-UHFFFAOYSA-N 0 0 468.553 1.819 50 0 JDAARN O=C(CN1CCN([C@@H]2CCS(=O)(=O)C2)CC1)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000022930110 555983398 /nfs/dbraw/zinc/98/33/98/555983398.db2.gz KZJOIRBDDBINLR-QZTJIDSGSA-N 0 0 462.641 1.807 50 0 JDAARN Cc1ccc(NC(=O)Cc2nc(CN3CCN(CC(=O)N4CCOCC4)CC3)cs2)cc1 ZINC000022931509 555984574 /nfs/dbraw/zinc/98/45/74/555984574.db2.gz JHTABAGSIZYORS-UHFFFAOYSA-N 0 0 457.600 1.609 50 0 JDAARN COc1ccc(CCNC(=O)Cn2cnc(S(=O)(=O)N3CCC(C)CC3)c2)cc1OC ZINC000015766970 555985849 /nfs/dbraw/zinc/98/58/49/555985849.db2.gz OBOFQIZIYJAFRC-UHFFFAOYSA-N 0 0 450.561 1.680 50 0 JDAARN O=C([C@@H]1CCCN(S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)C1)N1CCN(Cc2ccccc2)CC1 ZINC000015766539 555985862 /nfs/dbraw/zinc/98/58/62/555985862.db2.gz OBPUABJHFDRAFV-LJQANCHMSA-N 0 0 484.578 1.866 50 0 JDAARN Cc1ccc(N2CCN(C(=O)CN(C)S(=O)(=O)c3ccc4[nH]c(=O)oc4c3)CC2)c(C)c1 ZINC000015766575 555985877 /nfs/dbraw/zinc/98/58/77/555985877.db2.gz ONZOBNFAQRXXQD-UHFFFAOYSA-N 0 0 458.540 1.707 50 0 JDAARN COc1cccc(N2CCN(C(=O)Cn3cnc(S(=O)(=O)N4CCC(C)CC4)c3)CC2)c1 ZINC000015767003 555985947 /nfs/dbraw/zinc/98/59/47/555985947.db2.gz NWUKHJJTDVQMLZ-UHFFFAOYSA-N 0 0 461.588 1.661 50 0 JDAARN COc1cccc(N2CCN(C(=O)Cn3cnc(S(=O)(=O)N4CCc5ccccc54)c3)CC2)c1 ZINC000015767837 555986435 /nfs/dbraw/zinc/98/64/35/555986435.db2.gz CQHVVIWIAMPDLK-UHFFFAOYSA-N 0 0 481.578 1.992 50 0 JDAARN CCCCNC(=O)CN1CCN(CC(=O)Nc2ccccc2I)CC1 ZINC000022935302 555988201 /nfs/dbraw/zinc/98/82/01/555988201.db2.gz LZIPUTOVJRIVFH-UHFFFAOYSA-N 0 0 458.344 1.764 50 0 JDAARN NC(=O)c1cc(NC(=O)CN2CCN(Cc3ccc(Br)s3)CC2)cc(C(N)=O)c1 ZINC000022935277 555988225 /nfs/dbraw/zinc/98/82/25/555988225.db2.gz GYMLKTLJTJBFEE-UHFFFAOYSA-N 0 0 480.388 1.465 50 0 JDAARN COCCN(CCOC)C(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000012520901 555991439 /nfs/dbraw/zinc/99/14/39/555991439.db2.gz BLNWZZDPZOUJCJ-UHFFFAOYSA-N 0 0 450.513 1.994 50 0 JDAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCOCC3)cc2C[C@H]1C(=O)NCc1cccc(F)c1 ZINC000015775895 555994855 /nfs/dbraw/zinc/99/48/55/555994855.db2.gz SOSLJPVSGZHNCP-NRFANRHFSA-N 0 0 461.515 1.441 50 0 JDAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCOCC3)cc2C[C@H]1C(=O)NCc1ccccc1C ZINC000015775893 555994890 /nfs/dbraw/zinc/99/48/90/555994890.db2.gz OIBXIJHOFWBDHF-QFIPXVFZSA-N 0 0 457.552 1.610 50 0 JDAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCOCC3)cc2C[C@H]1C(=O)NCCc1ccccc1C ZINC000015775889 555994949 /nfs/dbraw/zinc/99/49/49/555994949.db2.gz PGUUWWQAKPWGJL-QHCPKHFHSA-N 0 0 471.579 1.652 50 0 JDAARN Cc1c(NC(=O)CCSc2nnc(C[C@H]3CCS(=O)(=O)C3)o2)c(=O)n(-c2ccccc2)n1C ZINC000022988671 555995339 /nfs/dbraw/zinc/99/53/39/555995339.db2.gz WZMGXVULGIYKGP-OAHLLOKOSA-N 0 0 491.595 1.966 50 0 JDAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)C[C@H](C(=O)N1CCN(c3ncccn3)CC1)N2C(C)=O ZINC000015775920 555995346 /nfs/dbraw/zinc/99/53/46/555995346.db2.gz IFNLAUVWQCMUJT-OAQYLSRUSA-N 0 0 486.598 1.134 50 0 JDAARN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCN(c3ccccc3)CC2)C(=O)N2CCN(C)CC2)cc1 ZINC000022996629 555996406 /nfs/dbraw/zinc/99/64/06/555996406.db2.gz MOKMNIZCUWRTSU-UHFFFAOYSA-N 0 0 499.637 1.702 50 0 JDAARN 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CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N[C@H](C)c3ccc(-n4cncn4)cc3)c2)CC1 ZINC000012593478 556088926 /nfs/dbraw/zinc/08/89/26/556088926.db2.gz IMZZAKMGUAKUFN-QGZVFWFLSA-N 0 0 482.566 1.611 50 0 JDAARN CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N[C@@H](C)c3ccc(-n4cncn4)cc3)c2)CC1 ZINC000012593484 556088942 /nfs/dbraw/zinc/08/89/42/556088942.db2.gz IMZZAKMGUAKUFN-KRWDZBQOSA-N 0 0 482.566 1.611 50 0 JDAARN CN(CC(=O)N1CCOCC1)CC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000023805849 556088999 /nfs/dbraw/zinc/08/89/99/556088999.db2.gz UDDPQAWZJPSBHQ-UHFFFAOYSA-N 0 0 450.583 1.711 50 0 JDAARN COc1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)[C@H]([C@@H](C)O)N[C@]32C(=O)Nc3c2cccc3Cl)cc1 ZINC000015957166 556089098 /nfs/dbraw/zinc/08/90/98/556089098.db2.gz RBPAMSGCBPOMDZ-KVUPCJHJSA-N 0 0 455.898 1.650 50 0 biogenic JDAARN COc1ccccc1CN1C(=O)[C@@H]2[C@H](C1=O)[C@H](CC(N)=O)N[C@@]21c2cc(Cl)ccc2NC1=O ZINC000015957654 556089545 /nfs/dbraw/zinc/08/95/45/556089545.db2.gz QKFJHLVMRDNTRF-HZNUMKHLSA-N 0 0 468.897 1.145 50 0 biogenic JDAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)N3CCN(Cc4ccco4)CC3)CC2)cc1 ZINC000023818668 556089584 /nfs/dbraw/zinc/08/95/84/556089584.db2.gz UYZLAHUUZVYBJQ-UHFFFAOYSA-N 0 0 488.610 1.546 50 0 JDAARN CCc1ccc2c(c1)[C@]1(N[C@@H]([C@@H](C)O)[C@H]3C(=O)N(Cc4ccc5c(c4)OCO5)C(=O)[C@H]31)C(=O)N2 ZINC000015959167 556090646 /nfs/dbraw/zinc/09/06/46/556090646.db2.gz JJMPDQAERXSDPT-RMLZHUDVSA-N 0 0 463.490 1.279 50 0 biogenic JDAARN O=C(CCNS(=O)(=O)c1ccc2c(c1)OCCO2)N1CCN(Cc2cccs2)CC1 ZINC000023844473 556090849 /nfs/dbraw/zinc/09/08/49/556090849.db2.gz KYOJIAVAKBYHAO-UHFFFAOYSA-N 0 0 451.570 1.532 50 0 JDAARN C[C@H](O)[C@@H]1N[C@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]12 ZINC000015959405 556091430 /nfs/dbraw/zinc/09/14/30/556091430.db2.gz XSTLMEBUFXOMLV-GZVLXINJSA-N 0 0 469.881 1.370 50 0 biogenic JDAARN Cc1ccccc1CN1CCN(C(=O)CNS(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 ZINC000023845367 556091474 /nfs/dbraw/zinc/09/14/74/556091474.db2.gz RXPOLELNPGNGJB-UHFFFAOYSA-N 0 0 459.568 1.779 50 0 JDAARN Cc1c2c(ccc1Cl)[C@@]1(N[C@@H](CC(N)=O)[C@H]3C(=O)N(Cc4ccc5c(c4)OCO5)C(=O)[C@H]31)C(=O)N2 ZINC000015959583 556091527 /nfs/dbraw/zinc/09/15/27/556091527.db2.gz YNIQIZNRUKXHJG-GGMMCWFTSA-N 0 0 496.907 1.173 50 0 biogenic JDAARN CCc1cccc2c1NC(=O)[C@@]21N[C@H]([C@@H](C)O)[C@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]21 ZINC000015968162 556094033 /nfs/dbraw/zinc/09/40/33/556094033.db2.gz CPBSHRHZWWGOEB-XMCMONBCSA-N 0 0 463.490 1.279 50 0 biogenic JDAARN Cc1cc2c(c(Cl)c1)NC(=O)[C@]21N[C@@H](CC(N)=O)[C@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]21 ZINC000015967761 556094065 /nfs/dbraw/zinc/09/40/65/556094065.db2.gz IXDSTUKBLMMVOC-GGMMCWFTSA-N 0 0 496.907 1.173 50 0 biogenic JDAARN Cc1cc2c(c(Cl)c1)NC(=O)[C@@]21N[C@@H](CC(N)=O)[C@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]21 ZINC000015967759 556094186 /nfs/dbraw/zinc/09/41/86/556094186.db2.gz IXDSTUKBLMMVOC-HVXFUGBPSA-N 0 0 496.907 1.173 50 0 biogenic JDAARN Cc1cc(CN2CCN(C(=O)C3CCN(S(=O)(=O)c4ccc5c(c4)OCCO5)CC3)CC2)no1 ZINC000023865723 556094215 /nfs/dbraw/zinc/09/42/15/556094215.db2.gz POVRPXPASLDJRF-UHFFFAOYSA-N 0 0 490.582 1.499 50 0 JDAARN NC(=O)C[C@H]1N[C@@]2(C(=O)Nc3c2cccc3Cl)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]12 ZINC000015968248 556094464 /nfs/dbraw/zinc/09/44/64/556094464.db2.gz FOXOTUJWTVHLJC-SAQZZPNQSA-N 0 0 452.898 1.179 50 0 biogenic JDAARN O=C(C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)N1CCN(Cc2ccncc2)CC1 ZINC000023866159 556094525 /nfs/dbraw/zinc/09/45/25/556094525.db2.gz RKVYHYJYAXSBPA-UHFFFAOYSA-N 0 0 486.594 1.598 50 0 JDAARN C[C@H](O)[C@H]1N[C@]2(C(=O)Nc3c2cccc3Cl)[C@@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@@H]21 ZINC000015969309 556095271 /nfs/dbraw/zinc/09/52/71/556095271.db2.gz DZSFDEYHFSBIKV-GRJFADIBSA-N 0 0 469.881 1.370 50 0 biogenic JDAARN O=C(c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000023873100 556096487 /nfs/dbraw/zinc/09/64/87/556096487.db2.gz YJWOVSFVTBOQQS-FQEVSTJZSA-N 0 0 487.578 1.831 50 0 JDAARN C[C@]1(c2ccc3c(c2)OCO3)NC(=O)N(CN2CCN(S(=O)(=O)Cc3ccccc3)CC2)C1=O ZINC000023873150 556096589 /nfs/dbraw/zinc/09/65/89/556096589.db2.gz RXYZMPSKPRSNDI-HSZRJFAPSA-N 0 0 486.550 1.287 50 0 JDAARN O=C(c1cccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)c1)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000023873360 556097245 /nfs/dbraw/zinc/09/72/45/556097245.db2.gz HNMKLWPFAIIRMO-FQEVSTJZSA-N 0 0 487.578 1.831 50 0 JDAARN COc1cccc([C@]2(C)NC(=O)N(CC(=O)Nc3cc(S(=O)(=O)N(C)C)ccc3C)C2=O)c1 ZINC000023880913 556097858 /nfs/dbraw/zinc/09/78/58/556097858.db2.gz JJIBADDWPGGLMZ-QFIPXVFZSA-N 0 0 474.539 1.660 50 0 JDAARN CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)c2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)C1=O ZINC000023881522 556097884 /nfs/dbraw/zinc/09/78/84/556097884.db2.gz VFFLQDWRCKNLCS-FDDCHVKYSA-N 0 0 486.550 1.646 50 0 JDAARN NC(=O)NC(=O)[C@H](c1ccccc1)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000023881590 556098061 /nfs/dbraw/zinc/09/80/61/556098061.db2.gz ZAEKZOLPWGVDNI-HNNXBMFYSA-N 0 0 487.401 1.753 50 0 JDAARN O=C1C(=O)N(CN2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)C(=O)N1Cc1cccs1 ZINC000023882008 556098215 /nfs/dbraw/zinc/09/82/15/556098215.db2.gz SJQCZRKIGOOBOT-UHFFFAOYSA-N 0 0 488.591 1.492 50 0 JDAARN COc1cc2c(cc1OC)CN(C(=O)c1ccc(S(=O)(=O)N[C@@H]3CCS(=O)(=O)C3)cc1)CC2 ZINC000015977156 556098227 /nfs/dbraw/zinc/09/82/27/556098227.db2.gz MKDNPURFDMCBNM-GOSISDBHSA-N 0 0 494.591 1.368 50 0 JDAARN C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34CO[N+](=O)[O-])[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1 ZINC000012655608 556098722 /nfs/dbraw/zinc/09/87/22/556098722.db2.gz HCEPYGIKCDFDPJ-HZXDTFASSA-N 0 0 451.516 1.908 50 0 biogenic JDAARN C[C@@]1(c2ccc3c(c2)OCCO3)NC(=O)N(CN2CCN(S(=O)(=O)c3cccs3)CC2)C1=O ZINC000023907679 556099623 /nfs/dbraw/zinc/09/96/23/556099623.db2.gz SSCJNHQZWIVOMG-NRFANRHFSA-N 0 0 492.579 1.250 50 0 JDAARN O=C(Cn1cnc2scc(-c3ccc(F)cc3)c2c1=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000023907597 556099672 /nfs/dbraw/zinc/09/96/72/556099672.db2.gz MNAXAKYNXZWXLK-QGZVFWFLSA-N 0 0 490.582 1.595 50 0 JDAARN Cc1nn2c(nnc2SCC(=O)Nc2cccc(S(=O)(=O)N3CCCCCC3)c2)[nH]c1=O ZINC000015981478 556099967 /nfs/dbraw/zinc/09/99/67/556099967.db2.gz CHIMAYCAPZDUDO-UHFFFAOYSA-N 0 0 477.572 1.829 50 0 JDAARN COc1ccccc1-n1nnnc1SCC(=O)NCc1ccc(CN2CCOCC2)cc1 ZINC000023908053 556100031 /nfs/dbraw/zinc/10/00/31/556100031.db2.gz OVCRRZBVKOHEQL-UHFFFAOYSA-N 0 0 454.556 1.912 50 0 JDAARN O=S(=O)(c1ccc(N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)nc1)N1CCOCC1 ZINC000023908450 556100104 /nfs/dbraw/zinc/10/01/04/556100104.db2.gz PVVODKAPVQRTKZ-UHFFFAOYSA-N 0 0 492.623 1.102 50 0 JDAARN O=C(CSc1nnnn1Cc1cccs1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000023908488 556100436 /nfs/dbraw/zinc/10/04/36/556100436.db2.gz QJASTZLZEKTWFN-UHFFFAOYSA-N 0 0 458.569 1.948 50 0 JDAARN COC(=O)C/N=C/[C@]12CC[C@H](O)C[C@@]1(O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O ZINC000012660293 556100643 /nfs/dbraw/zinc/10/06/43/556100643.db2.gz FLMDAWZUVHXASC-XQKAORNASA-N 0 0 475.582 1.943 50 0 biogenic JDAARN CCOC(=O)c1cccc(NC(=O)c2ccc(S(=O)(=O)N3CCN(C(C)=O)CC3)cc2)c1 ZINC000023912526 556101131 /nfs/dbraw/zinc/10/11/31/556101131.db2.gz PSXZDOQMCQUNHG-UHFFFAOYSA-N 0 0 459.524 1.968 50 0 JDAARN O=C(CCNC1=NS(=O)(=O)c2ccccc21)N1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000023935361 556101708 /nfs/dbraw/zinc/10/17/08/556101708.db2.gz MPBXPOIKKIPGGG-UHFFFAOYSA-N 0 0 454.552 1.395 50 0 JDAARN COC(=O)[C@H](CC(C)C)NC(=O)C1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C)cc2)CC1 ZINC000015989282 556101960 /nfs/dbraw/zinc/10/19/60/556101960.db2.gz NGOYSXKQJRVJFL-XLIONFOSSA-N 0 0 481.615 1.604 50 0 JDAARN O=C(NCc1ccccc1CN1CCOCC1)[C@@H]1CCCN1C1=NS(=O)(=O)c2ccccc21 ZINC000023968165 556108285 /nfs/dbraw/zinc/10/82/85/556108285.db2.gz IYHZQAUANISZID-NRFANRHFSA-N 0 0 468.579 1.749 50 0 JDAARN Cc1c2c(ccc1Cl)[C@@]1(N[C@@H](CC(N)=O)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]31)C(=O)N2 ZINC000016009781 556108628 /nfs/dbraw/zinc/10/86/28/556108628.db2.gz OQIFGHCCGGCTNG-XITLKHQFSA-N 0 0 452.898 1.444 50 0 JDAARN CCn1c(CN(C)Cc2nc3ccccc3c(=O)[nH]2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000023968379 556109036 /nfs/dbraw/zinc/10/90/36/556109036.db2.gz ZVWZLJFPUNJTGA-UHFFFAOYSA-N 0 0 496.593 1.946 50 0 JDAARN NC(=O)C[C@@H]1N[C@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(Cc3ccccc3Cl)C(=O)[C@@H]21 ZINC000016011868 556110649 /nfs/dbraw/zinc/11/06/49/556110649.db2.gz VVTBSMYAGVVXCF-PBWVOLNLSA-N 0 0 473.316 1.789 50 0 JDAARN NC(=O)C[C@@H]1N[C@@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(Cc3ccccc3Cl)C(=O)[C@@H]21 ZINC000016012639 556111371 /nfs/dbraw/zinc/11/13/71/556111371.db2.gz OQMFCUJHSQGUCN-KANGHSEISA-N 0 0 456.861 1.275 50 0 JDAARN Cc1cc(Cl)cc2c1NC(=O)[C@@]21N[C@@H](CC(N)=O)[C@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]21 ZINC000016013096 556112014 /nfs/dbraw/zinc/11/20/14/556112014.db2.gz SRVZEVYTLGSSDP-XQNUDUSMSA-N 0 0 470.888 1.584 50 0 JDAARN Cc1cc(Cl)cc2c1NC(=O)[C@@]21N[C@H](CC(N)=O)[C@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]21 ZINC000016013099 556112021 /nfs/dbraw/zinc/11/20/21/556112021.db2.gz SRVZEVYTLGSSDP-SAQZZPNQSA-N 0 0 470.888 1.584 50 0 JDAARN Cc1ccc2c(c1C)NC(=O)[C@@]21N[C@@H](CC(N)=O)[C@H]2C(=O)N(Cc3ccccc3Cl)C(=O)[C@H]21 ZINC000016013162 556112106 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CCn1c2ccc(C(=O)OCC(=O)Nc3cccc(S(=O)(=O)N(C)C)c3)cc2nc(C)c1=O ZINC000032736690 556477900 /nfs/dbraw/zinc/47/79/00/556477900.db2.gz IOUYDLDNEVJJFA-UHFFFAOYSA-N 0 0 472.523 1.771 50 0 JDAARN C[C@H]1C[C@H](OC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C(=O)O1 ZINC000032736449 556477913 /nfs/dbraw/zinc/47/79/13/556477913.db2.gz CKRTUCNCEWJTQW-BBRMVZONSA-N 0 0 458.920 1.200 50 0 JDAARN CN1CC(=O)N(CCCC(=O)N2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)C1=O ZINC000032739198 556479256 /nfs/dbraw/zinc/47/92/56/556479256.db2.gz HPEQIWGRJVWPFJ-UHFFFAOYSA-N 0 0 476.477 1.213 50 0 JDAARN COCCN(Cc1cccc(S(=O)(=O)N2CCOCC2)c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000032751406 556485567 /nfs/dbraw/zinc/48/55/67/556485567.db2.gz VWDXPFFJOQLPDW-UHFFFAOYSA-N 0 0 472.567 1.593 50 0 JDAARN CC1CCN(S(=O)(=O)N2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000032755196 556487076 /nfs/dbraw/zinc/48/70/76/556487076.db2.gz XVWIPINVCQHUMU-UHFFFAOYSA-N 0 0 455.524 1.988 50 0 JDAARN CCOC(=O)C1=C(CN2CCN(CC(=O)N3CCCCC3)CC2)NC(=O)N[C@H]1c1ccc(C)o1 ZINC000032754855 556487155 /nfs/dbraw/zinc/48/71/55/556487155.db2.gz QBZJAALDXZJJRW-QFIPXVFZSA-N 0 0 473.574 1.389 50 0 JDAARN C[C@H](C(=O)N1CCNC1=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2Cl)CC1 ZINC000032759217 556487540 /nfs/dbraw/zinc/48/75/40/556487540.db2.gz FZALEBQIVUEJIX-LLVKDONJSA-N 0 0 479.784 1.349 50 0 JDAARN COCCN(C(=O)C[C@H]1c2ccccc2C=CN1C(C)=O)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000032768196 556489062 /nfs/dbraw/zinc/48/90/62/556489062.db2.gz AUBSJJYOPCSAME-IBGZPJMESA-N 0 0 469.542 1.718 50 0 JDAARN Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)Cn1nnc(COc2ccccc2)n1 ZINC000032768963 556489459 /nfs/dbraw/zinc/48/94/59/556489459.db2.gz YWSLLDFSKAEANZ-KRWDZBQOSA-N 0 0 473.559 1.084 50 0 JDAARN COc1ccc(C(=O)O[C@H](C)C(=O)N2CCNC2=O)cc1S(=O)(=O)N[C@H]1CCCC[C@@H]1C ZINC000032776109 556490954 /nfs/dbraw/zinc/49/09/54/556490954.db2.gz PBPQJNFJMVQFSY-LZWOXQAQSA-N 0 0 467.544 1.649 50 0 JDAARN CCCCCn1nc(C(=O)O[C@@H](C)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)c2ccccc2c1=O ZINC000032776076 556490995 /nfs/dbraw/zinc/49/09/95/556490995.db2.gz YWDMJDOYYRCOSV-JKSUJKDBSA-N 0 0 463.556 1.778 50 0 JDAARN Cc1cc(=O)n2nc(COC(=O)C3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)sc2n1 ZINC000032776064 556491013 /nfs/dbraw/zinc/49/10/13/556491013.db2.gz ZIGSROKYXCKLIK-UHFFFAOYSA-N 0 0 466.516 1.743 50 0 JDAARN COc1ccc(/C=C/C(=O)N[C@H](C)C(=O)OCC(=O)Nc2ccccc2S(C)(=O)=O)cc1 ZINC000032776051 556491045 /nfs/dbraw/zinc/49/10/45/556491045.db2.gz GMTPUEOGPLODQQ-NRMKIYEFSA-N 0 0 460.508 1.799 50 0 JDAARN CCCCCn1nc(C(=O)O[C@H](C)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)c2ccccc2c1=O ZINC000032776077 556491057 /nfs/dbraw/zinc/49/10/57/556491057.db2.gz YWDMJDOYYRCOSV-HZPDHXFCSA-N 0 0 463.556 1.778 50 0 JDAARN C[C@H](Sc1nnc(C[C@@H]2CCS(=O)(=O)C2)n1C)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000032776442 556492066 /nfs/dbraw/zinc/49/20/66/556492066.db2.gz PGWGHNJAWVKGAZ-STQMWFEESA-N 0 0 452.558 1.683 50 0 JDAARN C[C@@H](OC(=O)CCN1C(=O)CCC1=O)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000032777549 556492444 /nfs/dbraw/zinc/49/24/44/556492444.db2.gz YHSTZCADOQQQBL-CYBMUJFWSA-N 0 0 471.432 1.951 50 0 JDAARN Cc1ccc(NC(=O)CSc2nnc([C@@H]3CCS(=O)(=O)C3)n2C)cc1S(=O)(=O)N(C)C ZINC000032777892 556492727 /nfs/dbraw/zinc/49/27/27/556492727.db2.gz PUXGYZOCPFGSOY-CYBMUJFWSA-N 0 0 487.629 1.007 50 0 JDAARN O=C(Cn1cnc2ccc(F)cc2c1=O)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@H]1CCCO1 ZINC000032796506 556495390 /nfs/dbraw/zinc/49/53/90/556495390.db2.gz XQFJGCRTMXFBQT-MRXNPFEDSA-N 0 0 463.469 1.980 50 0 JDAARN O=C(NCCNC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1)c1ccccc1 ZINC000032802979 556497274 /nfs/dbraw/zinc/49/72/74/556497274.db2.gz FSUBBTZFBUEMEN-UHFFFAOYSA-N 0 0 488.566 1.294 50 0 JDAARN O=S(=O)(NCCN1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccc2c(c1)OCCO2 ZINC000032810021 556500096 /nfs/dbraw/zinc/50/00/96/556500096.db2.gz KIGDABMQUTVAHG-UHFFFAOYSA-N 0 0 472.489 1.972 50 0 JDAARN Cc1cccc(C)c1NC(=O)CN1CCN(CN2C(=O)C(=O)N(Cc3cccs3)C2=O)CC1 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/nfs/dbraw/zinc/50/42/39/556504239.db2.gz RQOWZQNMSWKVIY-NRFANRHFSA-N 0 0 455.496 1.929 50 0 JDAARN O=C(CN1c2ccccc2OCCC1=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 ZINC000032823518 556504559 /nfs/dbraw/zinc/50/45/59/556504559.db2.gz XFKKDIQFWGMSTP-UHFFFAOYSA-N 0 0 453.524 1.216 50 0 JDAARN O=C(CN1CCCNC1=O)N1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000032824374 556505251 /nfs/dbraw/zinc/50/52/51/556505251.db2.gz XZYHXYRTAHPUQO-UHFFFAOYSA-N 0 0 468.885 1.607 50 0 JDAARN CCOC(=O)c1nnsc1NC(=O)C1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1 ZINC000032832568 556506611 /nfs/dbraw/zinc/50/66/11/556506611.db2.gz ZUTTXCSUXVXCDQ-UHFFFAOYSA-N 0 0 466.541 1.957 50 0 JDAARN O=C(CCNS(=O)(=O)c1ccc(Br)cc1)NCc1nnc2n1CCCCC2 ZINC000032841621 556508021 /nfs/dbraw/zinc/50/80/21/556508021.db2.gz MPBSEPZJMUOOPU-UHFFFAOYSA-N 0 0 456.366 1.752 50 0 JDAARN Cn1cc(S(=O)(=O)N2CCCC2)cc1C(=O)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000032841804 556508059 /nfs/dbraw/zinc/50/80/59/556508059.db2.gz CJFHVFSCVQPEOK-UHFFFAOYSA-N 0 0 498.602 1.486 50 0 JDAARN CNS(=O)(=O)Cc1ccc(CNC(=O)[C@H](NS(=O)(=O)c2ccccc2)C(C)C)cc1 ZINC000032848191 556510093 /nfs/dbraw/zinc/51/00/93/556510093.db2.gz WIVPPVHSIXAQKG-LJQANCHMSA-N 0 0 453.586 1.355 50 0 JDAARN C[C@H](OC(=O)CCn1cnc2ccccc2c1=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000032850586 556510703 /nfs/dbraw/zinc/51/07/03/556510703.db2.gz UMBUNUHHWBGHMX-SFHVURJKSA-N 0 0 498.561 1.251 50 0 JDAARN C[C@@H](OC(=O)CCn1cnc2ccccc2c1=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000032850585 556510748 /nfs/dbraw/zinc/51/07/48/556510748.db2.gz UMBUNUHHWBGHMX-GOSISDBHSA-N 0 0 498.561 1.251 50 0 JDAARN CCN(CC(=O)Nc1ccc(OC)cc1)CC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@@H]1C ZINC000032850939 556510992 /nfs/dbraw/zinc/51/09/92/556510992.db2.gz VCBPNYFMFDUVDC-HNNXBMFYSA-N 0 0 460.556 1.581 50 0 JDAARN Cc1cccc(OCCN(C)C(=O)C2CCN(S(=O)(=O)c3cc(C(N)=O)n(C)c3)CC2)c1 ZINC000032854595 556511731 /nfs/dbraw/zinc/51/17/31/556511731.db2.gz BQWKIEGXPKLTSH-UHFFFAOYSA-N 0 0 462.572 1.371 50 0 JDAARN C[C@H](OC(=O)C1CCN(S(=O)(=O)c2cc(C(N)=O)n(C)c2)CC1)C(=O)c1cccc(Cl)c1 ZINC000032854475 556511798 /nfs/dbraw/zinc/51/17/98/556511798.db2.gz QYTOOWGNOYJNSV-ZDUSSCGKSA-N 0 0 481.958 1.993 50 0 JDAARN CCOC(=O)C1=C(CN[C@]2(C)CCS(=O)(=O)C2)NC(=O)N[C@@H]1c1ccccc1OC(F)F ZINC000032856175 556512605 /nfs/dbraw/zinc/51/26/05/556512605.db2.gz FACGEHMEUAAMBK-OXQOHEQNSA-N 0 0 473.498 1.626 50 0 JDAARN O=C(c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1)N1CCN(CC(F)(F)F)CC1 ZINC000032863430 556515174 /nfs/dbraw/zinc/51/51/74/556515174.db2.gz BFTCRVGGPSHTOJ-UHFFFAOYSA-N 0 0 483.472 1.977 50 0 JDAARN Cc1cc(=O)n2nc(COC(=O)C3CCN(c4ccc5nnc(C(F)(F)F)n5n4)CC3)sc2n1 ZINC000032865499 556515868 /nfs/dbraw/zinc/51/58/68/556515868.db2.gz ACHNFSQLOWHJJH-UHFFFAOYSA-N 0 0 494.459 1.876 50 0 JDAARN COCCNS(=O)(=O)c1ccc(C(=O)OCc2cc(=O)n3cc(Cl)ccc3n2)cc1 ZINC000032868736 556516708 /nfs/dbraw/zinc/51/67/08/556516708.db2.gz FFDUYJRUJALKOV-UHFFFAOYSA-N 0 0 451.888 1.630 50 0 JDAARN O=C(C[C@@H](NS(=O)(=O)c1ccccc1)c1ccc(Cl)cc1)N1CCC2(CC1)NC(=O)NC2=O ZINC000032881955 556520856 /nfs/dbraw/zinc/52/08/56/556520856.db2.gz XQSUJOXHQOTRDL-GOSISDBHSA-N 0 0 490.969 1.950 50 0 JDAARN C[C@@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000032888437 556522825 /nfs/dbraw/zinc/52/28/25/556522825.db2.gz SPKXMMCHJMBMPO-MAUKXSAKSA-N 0 0 450.557 1.387 50 0 JDAARN C[C@@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000032888439 556522876 /nfs/dbraw/zinc/52/28/76/556522876.db2.gz SPKXMMCHJMBMPO-YJBOKZPZSA-N 0 0 450.557 1.387 50 0 JDAARN COC(=O)[C@H](c1ccccc1Cl)N1CCN(C(=O)C2CCN(S(C)(=O)=O)CC2)CC1 ZINC000032889008 556523311 /nfs/dbraw/zinc/52/33/11/556523311.db2.gz FXHMZIFGSFWROZ-SFHVURJKSA-N 0 0 457.980 1.370 50 0 JDAARN NC(=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)NCc1ccc(N2CCOCC2)nc1 ZINC000032889832 556523731 /nfs/dbraw/zinc/52/37/31/556523731.db2.gz CXYVMBULFIOKML-LJQANCHMSA-N 0 0 455.515 1.095 50 0 JDAARN 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/nfs/dbraw/zinc/73/11/80/569731180.db2.gz HXFRVIQJLSGMCV-IAGOWNOFSA-N 0 0 473.574 1.639 50 0 JDAARN O=C(CN1CCN(CC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)CC1)Nc1ccccc1Cl ZINC000095956272 569731577 /nfs/dbraw/zinc/73/15/77/569731577.db2.gz UBXRNXYQUYEADU-LJQANCHMSA-N 0 0 497.061 1.854 50 0 JDAARN C[C@]1(c2ccc3c(c2)OCO3)NC(=O)N(CN2CCN(Cc3ccc4c(c3)CCO4)CC2)C1=O ZINC000095958419 569731724 /nfs/dbraw/zinc/73/17/24/569731724.db2.gz YBIXQOILHAKOIT-RUZDIDTESA-N 0 0 464.522 1.893 50 0 JDAARN COc1cc(OC)c(C(c2oc(CO)cc(=O)c2O)c2oc(CO)cc(=O)c2O)cc1OC ZINC000096114122 569733227 /nfs/dbraw/zinc/73/32/27/569733227.db2.gz DFAPBQSXSCNIPS-UHFFFAOYSA-N 0 0 462.407 1.195 50 0 biogenic JDAARN COCCNC(=O)[C@@H]1COC2(CCN(C(=O)c3ccccc3F)CC2)N1C(=O)c1ccco1 ZINC000096210107 569737967 /nfs/dbraw/zinc/73/79/67/569737967.db2.gz DKXNWPPTLNDLKF-SFHVURJKSA-N 0 0 459.474 1.655 50 0 JDAARN CCC(=O)N1CCC2(CC1)OC[C@H](C(=O)NCc1cccnc1)N2C(=O)c1cccc(OC)c1 ZINC000096210221 569737995 /nfs/dbraw/zinc/73/79/95/569737995.db2.gz 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CC(=O)N/C(=C/c1ccccc1)C(=O)OCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1C ZINC000097653902 569745460 /nfs/dbraw/zinc/74/54/60/569745460.db2.gz OBQFHYVFQJCUQZ-UDWIEESQSA-N 0 0 459.524 1.904 50 0 JDAARN CCOC(=O)C1=C(CN2CCN(C(=O)COC)[C@H](C)C2)N(C)C(=O)N[C@@H]1c1cccc(F)c1 ZINC000036000136 569745483 /nfs/dbraw/zinc/74/54/83/569745483.db2.gz QFCNBAUSJREAFK-QVKFZJNVSA-N 0 0 462.522 1.518 50 0 JDAARN Cc1nnnn1C(=Cc1ccccc1)C(=O)OCC(=O)NN1C(=O)N[C@](C)(c2ccccc2)C1=O ZINC000097664341 569745697 /nfs/dbraw/zinc/74/56/97/569745697.db2.gz WXNJVLYXCKMXFD-PZSRYKBRSA-N 0 0 475.465 1.021 50 0 JDAARN COc1ccc(/C=C\C(=O)OCC(=O)NCCNC(=O)COC(=O)/C=C\c2ccc(OC)cc2)cc1 ZINC000097657648 569745732 /nfs/dbraw/zinc/74/57/32/569745732.db2.gz SBMYBDKAUZYODI-PVRNWPCDSA-N 0 0 496.516 1.749 50 0 JDAARN CCNC(=O)N1CCN(CC2=C(C(=O)OCC)[C@@H](c3ccc(OC)cc3)NC(=O)N2CC)CC1 ZINC000036005488 569747123 /nfs/dbraw/zinc/74/71/23/569747123.db2.gz UOVGYMCDEPFVDG-OAQYLSRUSA-N 0 0 473.574 1.946 50 0 JDAARN CCNC(=O)N1CCN(CC2=C(C(=O)OCC)[C@H](c3cccc(OC)c3OC)NC(=O)N2C)CC1 ZINC000036013896 569748761 /nfs/dbraw/zinc/74/87/61/569748761.db2.gz NHFTWRVDUCOGLU-FQEVSTJZSA-N 0 0 489.573 1.564 50 0 JDAARN COCCn1nc(C(=O)NCCN2C(=O)S/C(=C/c3ccc4c(c3)OCO4)C2=O)ccc1=O ZINC000097999062 569749261 /nfs/dbraw/zinc/74/92/61/569749261.db2.gz JHFRCJITLVPVFJ-GZTJUZNOSA-N 0 0 472.479 1.085 50 0 JDAARN COc1cccc(N2CCN(S(=O)(=O)c3nn(C)cc3C(=O)n3nc(C)cc3C)CC2)c1 ZINC000098212033 569750849 /nfs/dbraw/zinc/75/08/49/569750849.db2.gz USLBIDMLZFKVIX-UHFFFAOYSA-N 0 0 458.544 1.441 50 0 JDAARN O=C1O[C@]2(c3ccccc31)c1ccc(O)cc1Oc1cc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)ccc12 ZINC000100052673 569751997 /nfs/dbraw/zinc/75/19/97/569751997.db2.gz NIPYQLPZPLBOLF-JKSVXNCRSA-N 0 0 494.452 1.139 50 0 JDAARN O=C(CCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)N1CCN(CC(=O)N2CCCCC2)CC1 ZINC000036038266 569752340 /nfs/dbraw/zinc/75/23/40/569752340.db2.gz NXOVNEVLFBGSIL-UHFFFAOYSA-N 0 0 471.627 1.953 50 0 JDAARN COC(=O)c1cc(C(=O)OC)cc(N2C(=O)C[C@H](N3CCN(c4ccccc4)CC3)C2=O)c1 ZINC000100117122 569753255 /nfs/dbraw/zinc/75/32/55/569753255.db2.gz WNKBVQSCFXUFAW-FQEVSTJZSA-N 0 0 451.479 1.714 50 0 JDAARN COc1ccc(S(=O)(=O)N2C[C@@H](c3cccc(OC)c3)[C@H](C(=O)N3CCOCC3)C2)cc1 ZINC000036045981 569755423 /nfs/dbraw/zinc/75/54/23/569755423.db2.gz NVGITDMMEJOTDA-FCHUYYIVSA-N 0 0 460.552 1.967 50 0 JDAARN COc1ccc(CN2C(=O)C[C@H](N3CCC(Nc4ccc(F)cc4)(C(N)=O)CC3)C2=O)cc1 ZINC000100211156 569755532 /nfs/dbraw/zinc/75/55/32/569755532.db2.gz JFSVKUJFHINTCE-FQEVSTJZSA-N 0 0 454.502 1.894 50 0 JDAARN COc1ccc(-n2nc(C(=O)N3CCOCC3)c(=O)n(Cc3ccccc3C)c2=O)cc1OC ZINC000036088242 569756747 /nfs/dbraw/zinc/75/67/47/569756747.db2.gz ONKBLSOEFOKFBM-UHFFFAOYSA-N 0 0 466.494 1.241 50 0 JDAARN COc1ccccc1C(=O)N1CCN([C@@H](C(=O)N2CCN(C(C)=O)CC2)C2CCCC2)CC1 ZINC000036250392 569758326 /nfs/dbraw/zinc/75/83/26/569758326.db2.gz QTCHAKNWZAKLSX-HSZRJFAPSA-N 0 0 456.587 1.703 50 0 JDAARN O=C(CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000100697264 569767116 /nfs/dbraw/zinc/76/71/16/569767116.db2.gz PJNWMGUBEMHKFI-HDICACEKSA-N 0 0 453.495 1.934 50 0 JDAARN CC(=O)Nc1ccc2c(c1)s/c(=N/C(=O)c1ccc(S(=O)(=O)N3CCOCC3)cc1)n2C ZINC000100823776 569771731 /nfs/dbraw/zinc/77/17/31/569771731.db2.gz ZNIMPODNEOBMDD-XTQSDGFTSA-N 0 0 474.564 1.960 50 0 JDAARN COC(=O)Cn1c2ccc(C(=O)OC)cc2sc1=NC(=O)CSCC(=O)Nc1cc(C)on1 ZINC000100825327 569771781 /nfs/dbraw/zinc/77/17/81/569771781.db2.gz ZLZGRONSTQOTRF-XDOYNYLZSA-N 0 0 492.535 1.758 50 0 JDAARN COC(=O)Cn1c2ccc(OC)cc2sc1=NC(=O)CSCC(=O)Nc1cc(C)on1 ZINC000100825388 569771837 /nfs/dbraw/zinc/77/18/37/569771837.db2.gz CTWUTHPIMRXYHP-VZCXRCSSSA-N 0 0 464.525 1.980 50 0 JDAARN COc1ccccc1NC(=O)C[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000036357861 569772107 /nfs/dbraw/zinc/77/21/07/569772107.db2.gz RHMAHZCRPNARSM-GOSISDBHSA-N 0 0 460.512 1.172 50 0 JDAARN Cc1cnc(NC(=O)[C@@H]2CC(=O)N(c3ccc(S(=O)(=O)N4CCOCC4)cc3)C2)s1 ZINC000036360690 569772670 /nfs/dbraw/zinc/77/26/70/569772670.db2.gz HHLXOFHAZXUGHQ-CQSZACIVSA-N 0 0 450.542 1.464 50 0 JDAARN COc1ccccc1N1CCN(Cc2cc(=O)c(OCC(=O)N3CCSCC3)co2)CC1 ZINC000036365768 569772913 /nfs/dbraw/zinc/77/29/13/569772913.db2.gz OSYQDXAFGRPFPN-UHFFFAOYSA-N 0 0 459.568 1.925 50 0 JDAARN Cc1ccc(S(=O)(=O)N2CCNC(=O)[C@@H]2CC(=O)NCCc2c[nH]c3ccccc23)cc1 ZINC000036365148 569772921 /nfs/dbraw/zinc/77/29/21/569772921.db2.gz BAJYRMVRXNFBPA-NRFANRHFSA-N 0 0 454.552 1.714 50 0 JDAARN COCCn1c2ccc(S(N)(=O)=O)cc2s/c1=N\C(=O)c1ccc(OC)cc1OC ZINC000100872906 569773169 /nfs/dbraw/zinc/77/31/69/569773169.db2.gz INHWQBQYWBXYLR-VZCXRCSSSA-N 0 0 451.526 1.755 50 0 JDAARN COCCn1c2ccc(S(N)(=O)=O)cc2s/c1=N\C(=O)c1ccc(N2C(=O)CCC2=O)cc1 ZINC000100872942 569773182 /nfs/dbraw/zinc/77/31/82/569773182.db2.gz FFLIVLMGUHIQPO-LNVKXUELSA-N 0 0 488.547 1.391 50 0 JDAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCC(C(=O)N3C[C@H]4C[C@@H](C3)Cn3c(=O)cccc34)CC2)cc1 ZINC000036369735 569773240 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569809966 /nfs/dbraw/zinc/80/99/66/569809966.db2.gz KIQRDMHXUGSLJB-GASCZTMLSA-N 0 0 461.902 1.621 50 0 JDAARN O=C(COC(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nc1ccc(I)cc1 ZINC000102187316 569810909 /nfs/dbraw/zinc/81/09/09/569810909.db2.gz ISPCCSQXSRQOMV-ZIAGYGMSSA-N 0 0 470.263 1.948 50 0 JDAARN C[C@@H]1CCC[C@H](NC(=O)COC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)[C@H]1C ZINC000102213602 569811071 /nfs/dbraw/zinc/81/10/71/569811071.db2.gz XPZWMJRAJFAMQJ-VCBZYWHSSA-N 0 0 456.536 1.944 50 0 JDAARN Cc1sc2nc(COC(=O)[C@@H]3C[C@H](O)CN3S(=O)(=O)c3ccc(C)cc3)[nH]c(=O)c2c1C ZINC000102219405 569811074 /nfs/dbraw/zinc/81/10/74/569811074.db2.gz OMUBAAXQXYTDKG-HOCLYGCPSA-N 0 0 477.564 1.777 50 0 JDAARN CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)OCC(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)c2)CC1 ZINC000102250868 569811313 /nfs/dbraw/zinc/81/13/13/569811313.db2.gz PJIAIEOHOBNMDX-XGHQBKJUSA-N 0 0 479.599 1.637 50 0 JDAARN O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000102267875 569811691 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