smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCSc1nnc2c(n1)O[C@@H](c1ccc(O)c(O)c1)Nc1ccccc1-2 ZINC000000845749 203957260 /nfs/dbraw/zinc/95/72/60/203957260.db2.gz KCTGAGJZSNWGFC-INIZCTEOSA-N 0 0 368.418 3.565 50 10 FHCARN CCCC(=O)N1N=C(c2ccc(OC)c(OC)c2)C[C@@H]1c1ccccc1O ZINC000009970815 203999570 /nfs/dbraw/zinc/99/95/70/203999570.db2.gz JSOCJMAPWILJPZ-QGZVFWFLSA-N 0 0 368.433 3.887 50 10 FHCARN CN(C)c1ccc(N2C(=O)/C(=C/c3cccc(O)c3)SC2=S)cc1 ZINC000001416429 204005991 /nfs/dbraw/zinc/00/59/91/204005991.db2.gz HLZSHUMGUSOXMI-WJDWOHSUSA-N 0 0 356.472 3.864 50 10 FHCARN CCO[C@@H](CC)C(O)(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1 ZINC000001670346 204016313 /nfs/dbraw/zinc/01/63/13/204016313.db2.gz RMNLSRHTDYZQMF-NRFANRHFSA-N 0 0 356.510 3.870 50 10 FHCARN CCOC(=O)c1[nH]c2ccccc2c1/N=N/N1CCC(C(=O)OCC)CC1 ZINC000002249348 204030487 /nfs/dbraw/zinc/03/04/87/204030487.db2.gz GSOUDFANSBIQJW-QURGRASLSA-N 0 0 372.425 3.618 50 10 FHCARN CCN(CCO)c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000004774581 204162841 /nfs/dbraw/zinc/16/28/41/204162841.db2.gz JJZVLVUELJRGGM-ISLYRVAYSA-N 0 0 359.342 3.737 50 10 FHCARN Cc1noc(/C=C/c2ccc(N(C)C)c(Br)c2)c1[N+](=O)[O-] ZINC000004821133 204166229 /nfs/dbraw/zinc/16/62/29/204166229.db2.gz TYMWUJHTGXEBJN-FNORWQNLSA-N 0 0 352.188 3.890 50 10 FHCARN COc1ccc(N2C(=O)/C(=C\c3ccc(O)c(O)c3)SC2=S)cc1 ZINC000004456498 204139841 /nfs/dbraw/zinc/13/98/41/204139841.db2.gz TWPHOLDJGIAXPX-OQLLNIDSSA-N 0 0 359.428 3.512 50 10 FHCARN CCN1C(=O)/C(=C\C=C2/Sc3ccc(OC)cc3N2C)SC1=S ZINC000004498161 204141989 /nfs/dbraw/zinc/14/19/89/204141989.db2.gz DTHGADHRMZAYBS-GUZOQHLSSA-N 0 0 364.517 3.843 50 10 FHCARN Cc1cc(C(=O)[C@H](C)Sc2nnc(N)s2)c(C)n1-c1ccccc1 ZINC000005405077 204206969 /nfs/dbraw/zinc/20/69/69/204206969.db2.gz QSQJPCKTUOVZKD-LBPRGKRZSA-N 0 0 358.492 3.891 50 10 FHCARN CCc1cc2c(cc1O[C@H](C)C(=O)OC)oc(=O)cc2-c1ccccc1 ZINC000005554502 204215058 /nfs/dbraw/zinc/21/50/58/204215058.db2.gz ZSLVWWHUXPQLCE-CYBMUJFWSA-N 0 0 352.386 3.963 50 10 FHCARN CC1=NN(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(N(C)C)c([N+](=O)[O-])c1 ZINC000005657327 204220188 /nfs/dbraw/zinc/22/01/88/204220188.db2.gz AVWWFOZZLSFWQZ-MHWRWJLKSA-N 0 0 368.368 3.606 50 10 FHCARN Cc1cccc(NC(=O)CN2C(=O)/C(=C\c3ccccc3)SC2=S)c1 ZINC000004990585 204183081 /nfs/dbraw/zinc/18/30/81/204183081.db2.gz NCHYVFIKSJOIRR-LFIBNONCSA-N 0 0 368.483 3.835 50 10 FHCARN Cc1cccc(OCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1 ZINC000005093014 204191767 /nfs/dbraw/zinc/19/17/67/204191767.db2.gz FFZVVOQIOUVAFU-UHFFFAOYSA-N 0 0 371.392 3.788 50 10 FHCARN COc1cc(OC)c(/C=C2\C(C)=NN(c3ccccc3)C2=O)c(OC)c1 ZINC000005197223 204196500 /nfs/dbraw/zinc/19/65/00/204196500.db2.gz HVZITFWFDAJLKD-FOWTUZBSSA-N 0 0 352.390 3.519 50 10 FHCARN Cc1cc(C(=O)COC(=O)c2c(C)noc2C)c(C)n1-c1ccccc1F ZINC000005195608 204197871 /nfs/dbraw/zinc/19/78/71/204197871.db2.gz XYDUIIFWASLHPC-UHFFFAOYSA-N 0 0 370.380 3.878 50 10 FHCARN O=[N+]([O-])c1ccccc1NNC(=S)Nc1ccc(OC(F)F)cc1 ZINC000005693725 204221469 /nfs/dbraw/zinc/22/14/69/204221469.db2.gz BGURXSPQJYZLIP-UHFFFAOYSA-N 0 0 354.338 3.510 50 10 FHCARN Cc1cc(C(=O)COc2ccc(C(N)=O)cc2)c(C)n1-c1cccc(F)c1 ZINC000006290453 204243184 /nfs/dbraw/zinc/24/31/84/204243184.db2.gz RCDFGLCRFRABKA-UHFFFAOYSA-N 0 0 366.392 3.594 50 10 FHCARN O=C1N=C(N2CCCCC2)S/C1=C\c1cccc(Br)c1 ZINC000008117784 204317657 /nfs/dbraw/zinc/31/76/57/204317657.db2.gz OSOYAHOZGNVTNF-RAXLEYEMSA-N 0 0 351.269 3.905 50 10 FHCARN CN1CCc2cc([C@@H](CNC(=O)Nc3cccc(Cl)c3)[NH+](C)C)ccc21 ZINC000035597197 204323522 /nfs/dbraw/zinc/32/35/22/204323522.db2.gz BYEQMDYKDBIRKC-LJQANCHMSA-N 0 0 372.900 3.757 50 10 FHCARN CCCCN1C(=O)/C(=C\c2cc(OC)c(OC)c(OC)c2)SC1=S ZINC000009188382 204356341 /nfs/dbraw/zinc/35/63/41/204356341.db2.gz VXDAKESYXOMBDO-GXDHUFHOSA-N 0 0 367.492 3.714 50 10 FHCARN Cc1cc(C=C2C(=O)NC(=S)NC2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000008744486 204342416 /nfs/dbraw/zinc/34/24/16/204342416.db2.gz GCWZGVGNKBPAGY-UHFFFAOYSA-N 0 0 359.838 3.502 50 10 FHCARN O=C1c2ccccc2N[C@H](c2cc(Cl)ccc2O)N1C[C@@H]1CCCO1 ZINC000012556212 204474633 /nfs/dbraw/zinc/47/46/33/204474633.db2.gz SKESJRGYEBDICY-UGSOOPFHSA-N 0 0 358.825 3.791 50 10 FHCARN COc1ccc2c(c1)CCC1C2=NC(=S)N[C@H]1c1ccc(N(C)C)cc1 ZINC000013545904 204535209 /nfs/dbraw/zinc/53/52/09/204535209.db2.gz NOYBEYGHQKYHRT-IBGZPJMESA-N 0 0 365.502 3.638 50 10 FHCARN CC(=C\c1ccccc1)/C=C1/SC(=S)N(CC(=O)NC(C)(C)C)C1=O ZINC000027530488 204863813 /nfs/dbraw/zinc/86/38/13/204863813.db2.gz NIADJSHVHAOTNT-FVIOEUFFSA-N 0 0 374.531 3.749 50 10 FHCARN S=C(NCc1ccccn1)Nc1ccc(Br)cc1Cl ZINC000037867468 205034325 /nfs/dbraw/zinc/03/43/25/205034325.db2.gz GQOJNANEHBJQSV-UHFFFAOYSA-N 0 0 356.676 3.984 50 10 FHCARN Cc1nc(-n2cccc2)sc1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000049006229 205167499 /nfs/dbraw/zinc/16/74/99/205167499.db2.gz LWHBBEHFPVPQNA-UHFFFAOYSA-N 0 0 366.490 3.772 50 10 FHCARN Cc1noc([C@H](C)NC(=O)/C=C/c2cc(C)n(-c3ccc(C)cc3)c2C)n1 ZINC000065474945 205353636 /nfs/dbraw/zinc/35/36/36/205353636.db2.gz NLHRERYOVUDUNI-SHQCLWGWSA-N 0 0 364.449 3.985 50 10 FHCARN CC1=NN(c2nc3ccccc3s2)C(=O)C1=CNCc1cccs1 ZINC000100149129 205939856 /nfs/dbraw/zinc/93/98/56/205939856.db2.gz LMSQVJPSLRFKMB-JLHYYAGUSA-N 0 0 354.460 3.754 50 10 FHCARN CC(NCCCOC(C)C)=C1C(C)=NN(c2nc3ccccc3s2)C1=O ZINC000100152678 205940284 /nfs/dbraw/zinc/94/02/84/205940284.db2.gz MCEMFLIFEBHVOS-LGMDPLHJSA-N 0 0 372.494 3.698 50 10 FHCARN CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=CNCc1ccccc1Cl ZINC000100429825 205942864 /nfs/dbraw/zinc/94/28/64/205942864.db2.gz FOHRZZNHEHGCAI-LFIBNONCSA-N 0 0 370.796 3.644 50 10 FHCARN CC(NCCc1c[nH]c2ccccc12)=C1C(=O)N(c2ccccc2)N=C1C ZINC000100422887 205943039 /nfs/dbraw/zinc/94/30/39/205943039.db2.gz YWLWZLPHGQYVCT-QNGOZBTKSA-N 0 0 358.445 3.997 50 10 FHCARN CN(C)c1ccc(/C=C2/N=C(c3ccccc3)OC2=O)cc1Br ZINC000000663321 206131026 /nfs/dbraw/zinc/13/10/26/206131026.db2.gz YDLUTYCGULASIC-RVDMUPIBSA-N 0 0 371.234 3.860 50 10 FHCARN CC(=O)N1N=C(c2ccc(Br)cc2)C[C@H]1c1ccccc1O ZINC000004292033 206173442 /nfs/dbraw/zinc/17/34/42/206173442.db2.gz YBJXJWJGBRLWBQ-INIZCTEOSA-N 0 0 359.223 3.852 50 10 FHCARN CCCCN1C(=O)C(=C/C=C\c2ccco2)C(=O)N(CCCC)C1=S ZINC000005825125 206197382 /nfs/dbraw/zinc/19/73/82/206197382.db2.gz VTNPZYUFQSQJIA-CLFYSBASSA-N 0 0 360.479 3.775 50 10 FHCARN Oc1ccc(O)c(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccncc2)c1 ZINC000102907388 206231679 /nfs/dbraw/zinc/23/16/79/206231679.db2.gz UHVOUOCHBMZACT-GHTZIAJQSA-N 0 0 359.385 3.735 50 10 FHCARN Cc1nc(C)c(CC(=O)NCc2ccc(N3CCC[C@H](C)C3)cc2)s1 ZINC000215920296 132270513 /nfs/dbraw/zinc/27/05/13/132270513.db2.gz FWVTZNKMCHRKCC-AWEZNQCLSA-N 0 0 357.523 3.855 50 10 FHCARN CSc1cnc(NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)nc1 ZINC000225817853 132286823 /nfs/dbraw/zinc/28/68/23/132286823.db2.gz SHQOBYCZNDCHQV-CHWSQXEVSA-N 0 0 362.474 3.563 50 10 FHCARN O=C1c2ccc(Br)cc2C(=O)c2cc(Br)ccc21 ZINC000005677887 570808169 /nfs/dbraw/zinc/80/81/69/570808169.db2.gz SAKIJMSLTKGUQV-UHFFFAOYSA-N 0 0 366.008 3.987 50 10 FHCARN COc1ccc(N2CCN(C(=O)Cc3coc4ccc(C)cc34)CC2)cc1 ZINC000006804260 568050381 /nfs/dbraw/zinc/05/03/81/568050381.db2.gz PBIHDPGHMDNWFT-UHFFFAOYSA-N 0 0 364.445 3.641 50 10 FHCARN CN(C)c1ccc(CNn2cnnc2SCc2ccc(F)cc2)cc1 ZINC000000679347 570448105 /nfs/dbraw/zinc/44/81/05/570448105.db2.gz QAVFZEHLSWORRV-UHFFFAOYSA-N 0 0 357.458 3.519 50 10 FHCARN CCN(CC)C(=O)COc1ccc2c3ccc(OC)cc3c(=O)oc2c1C ZINC000000780105 570455834 /nfs/dbraw/zinc/45/58/34/570455834.db2.gz RDVLTRZYIHCVOE-UHFFFAOYSA-N 0 0 369.417 3.510 50 10 FHCARN Cc1cccc(N2CCN(C3=NC(=O)/C(=C/c4ccccc4)S3)CC2)c1 ZINC000000955364 570466700 /nfs/dbraw/zinc/46/67/00/570466700.db2.gz FAWJWDYDUZBDJS-CYVLTUHYSA-N 0 0 363.486 3.788 50 10 FHCARN O=C1/C(=C/c2ccc3c(c2)OCO3)SC(=S)N1Cc1ccccc1 ZINC000000988778 570468203 /nfs/dbraw/zinc/46/82/03/570468203.db2.gz SUILSQAFNXUKTN-SXGWCWSVSA-N 0 0 355.440 3.817 50 10 FHCARN COc1cc2c(cc1NCC(=O)Nc1cc(C)on1)oc1ccccc12 ZINC000011619326 570484638 /nfs/dbraw/zinc/48/46/38/570484638.db2.gz BLOUYMJZFVJGBZ-UHFFFAOYSA-N 0 0 351.362 3.942 50 10 FHCARN O=C1/C(=C/c2cccs2)SC(=S)N1Cc1ccc2c(c1)OCO2 ZINC000001160428 570486031 /nfs/dbraw/zinc/48/60/31/570486031.db2.gz JCCRONHGEKYXOT-AUWJEWJLSA-N 0 0 361.469 3.878 50 10 FHCARN CC(=O)N1N=C(c2ccc(O)cc2)C[C@@H]1c1ccc(Br)cc1 ZINC000001200970 570492025 /nfs/dbraw/zinc/49/20/25/570492025.db2.gz IAHDJIUAJOHPGF-QGZVFWFLSA-N 0 0 359.223 3.852 50 10 FHCARN Cc1ccc(/C=C2/SC(=S)N(CCC(=O)N3CCCCC3)C2=O)cc1 ZINC000001304761 570497130 /nfs/dbraw/zinc/49/71/30/570497130.db2.gz ODBJDVXVRKXMKR-DTQAZKPQSA-N 0 0 374.531 3.599 50 10 FHCARN CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(O)c(Br)c1 ZINC000100147858 570499976 /nfs/dbraw/zinc/49/99/76/570499976.db2.gz KCFYAJPHEPFFGY-NTEUORMPSA-N 0 0 357.207 3.961 50 10 FHCARN COc1ccc(OCC(=O)Nc2cc(OC)ccc2N2CCCCC2)cc1 ZINC000004998658 570616951 /nfs/dbraw/zinc/61/69/51/570616951.db2.gz KRLCRUVBDYPFRX-UHFFFAOYSA-N 0 0 370.449 3.712 50 10 FHCARN CC1CCC(N(C)C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)CC1 ZINC000080070989 570634786 /nfs/dbraw/zinc/63/47/86/570634786.db2.gz BNSIXWWVJLRYKK-UHFFFAOYSA-N 0 0 373.541 3.615 50 10 FHCARN COc1ccc(N2CCN(C(=O)c3cc4c(s3)CC[C@@H](C)C4)CC2)cc1 ZINC000005226521 570636548 /nfs/dbraw/zinc/63/65/48/570636548.db2.gz HQUJOGDEVZEIBR-OAHLLOKOSA-N 0 0 370.518 3.844 50 10 FHCARN COc1ccc(N2CCOCC2)c(NC(=O)c2cccc(OC(C)C)c2)c1 ZINC000007496684 570665060 /nfs/dbraw/zinc/66/50/60/570665060.db2.gz VVUDKXAYZYZXEC-UHFFFAOYSA-N 0 0 370.449 3.571 50 10 FHCARN Cc1cc(C(=O)COc2ccccc2C(N)=O)c(C)n1-c1cccc(F)c1 ZINC000005635798 570683414 /nfs/dbraw/zinc/68/34/14/570683414.db2.gz WCYIWFFATYHYAY-UHFFFAOYSA-N 0 0 366.392 3.594 50 10 FHCARN CCOC(=O)c1cc(CN[C@@H](C)c2ccc(N3CCCCC3)cc2)on1 ZINC000012410827 570742989 /nfs/dbraw/zinc/74/29/89/570742989.db2.gz LDRXQWINAAUQDW-HNNXBMFYSA-N 0 0 357.454 3.692 50 10 FHCARN CCN(CC)c1ccc(/C=C2\SC(=S)N(CCCOC)C2=O)cc1 ZINC000013370589 570777084 /nfs/dbraw/zinc/77/70/84/570777084.db2.gz PFNGRLSXKCKCSD-SSZFMOIBSA-N 0 0 364.536 3.771 50 10 FHCARN Cc1ccc(/C=C2\SC(=S)N(CCC(=O)N3CCCCC3)C2=O)cc1 ZINC000013576669 570780077 /nfs/dbraw/zinc/78/00/77/570780077.db2.gz ODBJDVXVRKXMKR-SSZFMOIBSA-N 0 0 374.531 3.599 50 10 FHCARN CCCCOc1ccc(/C=C2/SC(N3C[C@@H](C)O[C@@H](C)C3)=NC2=O)cc1 ZINC000018208076 570815078 /nfs/dbraw/zinc/81/50/78/570815078.db2.gz SQEZTFTVGCDAGK-DXIGTLQTSA-N 0 0 374.506 3.945 50 10 FHCARN CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C/c1ccccc1OC ZINC000101651614 570821963 /nfs/dbraw/zinc/82/19/63/570821963.db2.gz XMRWRKVGOXRLOT-NBVRZTHBSA-N 0 0 363.413 3.963 50 10 FHCARN O=C1/C(=C/c2ccc(F)cc2)SC(=S)N1Cc1ccc2c(c1)OCO2 ZINC000015015223 570829415 /nfs/dbraw/zinc/82/94/15/570829415.db2.gz FDWWQMWCERPDGF-PXNMLYILSA-N 0 0 373.430 3.956 50 10 FHCARN CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1ccc(O)cc1 ZINC000016247904 570852808 /nfs/dbraw/zinc/85/28/08/570852808.db2.gz ZQJLDPNCEGVZRN-UYRXBGFRSA-N 0 0 363.413 3.968 50 10 FHCARN O=C1NC(=S)NC(=O)C1=Cc1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000018141842 570875815 /nfs/dbraw/zinc/87/58/15/570875815.db2.gz OAWKRQVPBNTFBJ-UHFFFAOYSA-N 0 0 372.833 3.674 50 10 FHCARN Cc1ccccc1NC1=NC(=O)C(=Cc2ccc3c(c2)OCCO3)S1 ZINC000048343094 570948605 /nfs/dbraw/zinc/94/86/05/570948605.db2.gz YVNPTKXDYKDGMZ-BOPFTXTBSA-N 0 0 352.415 3.849 50 10 FHCARN COc1cccc([C@@H]2CC(c3ccccc3O)=NN2C(=O)c2ccco2)c1 ZINC000225518156 571042383 /nfs/dbraw/zinc/04/23/83/571042383.db2.gz NHVJPBGJWKJRII-SFHVURJKSA-N 0 0 362.385 3.985 50 10 FHCARN O=C(CCN1C(=O)/C(=C/c2ccccc2)SC1=S)N1CCCCCC1 ZINC000001269284 571045500 /nfs/dbraw/zinc/04/55/00/571045500.db2.gz CLXIVWIIYHLKLO-PEZBUJJGSA-N 0 0 374.531 3.681 50 10 FHCARN COc1ccc(N2CCN(Cc3coc(-c4cccs4)n3)CC2)cc1 ZINC000008429316 571046875 /nfs/dbraw/zinc/04/68/75/571046875.db2.gz NQLSRMLFHGVJQK-UHFFFAOYSA-N 0 0 355.463 3.734 50 10 FHCARN CCO/C(C)=C1/C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F ZINC000033343093 571064647 /nfs/dbraw/zinc/06/46/47/571064647.db2.gz XTWRJKHORVDTJN-DHZHZOJOSA-N 0 0 355.341 3.872 50 10 FHCARN CCCN(CC(=O)Nc1ccccc1C)Cc1cc(F)cc(C(C)=O)c1O ZINC000072312049 571079744 /nfs/dbraw/zinc/07/97/44/571079744.db2.gz BAQPQUNQGVQIKD-UHFFFAOYSA-N 0 0 372.440 3.893 50 10 FHCARN COc1ccc(C2=C/C(=C/c3cccc(OC)c3OC)C(=O)O2)c(OC)c1 ZINC000000843828 571085531 /nfs/dbraw/zinc/08/55/31/571085531.db2.gz YXINWDKBGYGATQ-UVTDQMKNSA-N 0 0 368.385 3.702 50 10 FHCARN Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=S)N(C)C2=O)o1 ZINC000001083664 571145820 /nfs/dbraw/zinc/14/58/20/571145820.db2.gz NWGDNZHZWDQIFM-RIYZIHGNSA-N 0 0 360.416 3.994 50 10 FHCARN O=C1OC2(CCCCC2)OC(=O)C1=CNc1nc(-c2ccccc2)cs1 ZINC000001102106 571146238 /nfs/dbraw/zinc/14/62/38/571146238.db2.gz XCBFTUNJHIKUGK-UHFFFAOYSA-N 0 0 370.430 3.866 50 10 FHCARN COc1ccc(C2=C/C(=C/c3ccc(OC)c([N+](=O)[O-])c3)C(=O)O2)cc1 ZINC000001206630 571166069 /nfs/dbraw/zinc/16/60/69/571166069.db2.gz WIJWSDXBBLEQJD-ZROIWOOFSA-N 0 0 353.330 3.593 50 10 FHCARN CSc1nc2n(n1)[C@H](c1ccccc1)C[C@@H](c1cc(F)ccc1O)N2 ZINC000000638094 571166222 /nfs/dbraw/zinc/16/62/22/571166222.db2.gz IGEMSHSUQJORDT-GJZGRUSLSA-N 0 0 356.426 3.991 50 10 FHCARN CN(C)c1ccc(CNC(=O)c2c[nH]c(=S)n2-c2ccccc2)cc1 ZINC000012556132 571180951 /nfs/dbraw/zinc/18/09/51/571180951.db2.gz TYQZNXWFIFLGGZ-UHFFFAOYSA-N 0 0 352.463 3.531 50 10 FHCARN Cc1nc(-c2ccccn2)sc1C(=O)NCc1ccc(N(C)C)cc1 ZINC000012556367 571181085 /nfs/dbraw/zinc/18/10/85/571181085.db2.gz MFZGVUIHCYABLH-UHFFFAOYSA-N 0 0 352.463 3.510 50 10 FHCARN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CCc1ccccc1O ZINC000012563890 571183628 /nfs/dbraw/zinc/18/36/28/571183628.db2.gz JDFKHGCXYGAWRC-UHFFFAOYSA-N 0 0 352.478 3.974 50 10 FHCARN COc1cc(N(C)Cc2nc(C(F)(F)F)cs2)cc(OC)c1OC ZINC000089364879 571201383 /nfs/dbraw/zinc/20/13/83/571201383.db2.gz PZMHBYJUELYFLT-UHFFFAOYSA-N 0 0 362.373 3.824 50 10 FHCARN Cc1c(N(C)N=Nc2ccc([N+](=O)[O-])cc2)c(=O)n(-c2ccccc2)n1C ZINC000252604156 571284706 /nfs/dbraw/zinc/28/47/06/571284706.db2.gz FXLGHIAYERQLSD-UHFFFAOYSA-N 0 0 366.381 3.528 50 10 FHCARN COc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(O)c(O)c2)cc1 ZINC000007883842 571290490 /nfs/dbraw/zinc/29/04/90/571290490.db2.gz KTMRZUJMBRQPBL-HXUWFJFHSA-N 0 0 362.385 3.878 50 10 FHCARN N=C1/C(=C/c2cccn2Cc2ccccc2Cl)C(=O)N=C2SC=CN21 ZINC000020032015 571327820 /nfs/dbraw/zinc/32/78/20/571327820.db2.gz DWYMMQFWGJOTKB-MKGVMWAWSA-N 0 0 368.849 3.967 50 10 FHCARN CC1=CC2=NC(=O)/C(=C\c3ccc(OCc4ccccc4)cc3)C(=N)N2O1 ZINC000020236082 571328585 /nfs/dbraw/zinc/32/85/85/571328585.db2.gz QRFRPDDPWBGVEZ-OUCYFQBSSA-N 0 0 359.385 3.716 50 10 FHCARN COc1ccc(O)c([C@H]2NC(=O)CN2Cc2ccc(-c3ccccc3)cc2)c1 ZINC000095376602 571329169 /nfs/dbraw/zinc/32/91/69/571329169.db2.gz RVFKIDVMZOOXRS-QHCPKHFHSA-N 0 0 374.440 3.698 50 10 FHCARN Cn1cc(/C=C\C(=O)N(Cc2ccccn2)c2ccc(Cl)cc2)cn1 ZINC000055788978 571338853 /nfs/dbraw/zinc/33/88/53/571338853.db2.gz HDGKTMVGINNWKF-YHYXMXQVSA-N 0 0 352.825 3.715 50 10 FHCARN Cc1ccccc1/C=C1/C(=N)N2N=C(Cc3ccccc3)SC2=NC1=O ZINC000003891051 571352977 /nfs/dbraw/zinc/35/29/77/571352977.db2.gz 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362.772 3.763 50 10 FHCARN O=C1/C(=C\c2ccccc2)SC(=S)N1Cc1ccc2c(c1)OCO2 ZINC000004679857 204154069 /nfs/dbraw/zinc/15/40/69/204154069.db2.gz BONYNVDAABCCEK-CXUHLZMHSA-N 0 0 355.440 3.817 50 10 FHCARN O=C1N=C(N2CCOCC2)S/C1=C\c1ccc(-c2ccccc2)cc1 ZINC000004680082 204154521 /nfs/dbraw/zinc/15/45/21/204154521.db2.gz ZLWMIFJBIGQSSG-JXAWBTAJSA-N 0 0 350.443 3.656 50 10 FHCARN O=C(NCc1cccs1)c1nc(-c2ccc(-n3cccc3)cc2)no1 ZINC000004707450 204156701 /nfs/dbraw/zinc/15/67/01/204156701.db2.gz XTFPHDMKHSMBDL-UHFFFAOYSA-N 0 0 350.403 3.519 50 10 FHCARN COc1cc(/C=C2\C=C(c3ccc(C)cc3)OC2=O)ccc1OC(C)=O ZINC000004738975 204159905 /nfs/dbraw/zinc/15/99/05/204159905.db2.gz RVIHQWKCUKLNNR-LICLKQGHSA-N 0 0 350.370 3.910 50 10 FHCARN COc1ccccc1C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000004747158 204161502 /nfs/dbraw/zinc/16/15/02/204161502.db2.gz SGKJQUWLZQTJJD-UHFFFAOYSA-N 0 0 357.365 3.723 50 10 FHCARN COc1ccc(C2=C/C(=C/c3ccccc3[N+](=O)[O-])C(=O)O2)c(OC)c1 ZINC000004351879 204134174 /nfs/dbraw/zinc/13/41/74/204134174.db2.gz VVKJQUQADPGXLG-LCYFTJDESA-N 0 0 353.330 3.593 50 10 FHCARN Cc1c(-c2[nH]nc(N)c2N=Nc2ccccc2)c(=O)n(-c2ccccc2)n1C ZINC000005378091 204207598 /nfs/dbraw/zinc/20/75/98/204207598.db2.gz YXYRBLOSMPNPGI-ZNTNEXAZSA-N 0 0 373.420 3.872 50 10 FHCARN Cc1ccccc1OC(=O)c1ccc2c(c1O)C(=O)c1ccccc1C2=O ZINC000004891440 204173675 /nfs/dbraw/zinc/17/36/75/204173675.db2.gz YVUHEILKZUSVJT-UHFFFAOYSA-N 0 0 358.349 3.695 50 10 biogenic FHCARN COc1ccc(N2C(=O)/C(=C\c3ccc(OC)c(O)c3)SC2=S)cc1 ZINC000005052069 204187684 /nfs/dbraw/zinc/18/76/84/204187684.db2.gz MJWYTOCVVHIXAN-MHWRWJLKSA-N 0 0 373.455 3.815 50 10 FHCARN Cc1ccc([C@@H]2CC(=O)NC(NC(=O)c3ccc(C(C)(C)C)cc3)=N2)cc1 ZINC000006817804 204273893 /nfs/dbraw/zinc/27/38/93/204273893.db2.gz IDUXWCWEYCXBMA-SFHVURJKSA-N 0 0 363.461 3.640 50 10 FHCARN COc1ccc(CNC(=O)/C=C/c2cc(C)n(-c3ccccc3)c2C)cn1 ZINC000010991590 204402872 /nfs/dbraw/zinc/40/28/72/204402872.db2.gz JSTNAGOOLHNSOS-ZHACJKMWSA-N 0 0 361.445 3.827 50 10 FHCARN CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1ccc(F)cc1Cl ZINC000036391513 204380074 /nfs/dbraw/zinc/38/00/74/204380074.db2.gz MFLZMFHUXHHHIM-UHFFFAOYSA-N 0 0 370.877 3.756 50 10 FHCARN CC(C)CNc1cc(NCCO)c2c3c1noc3-c1ccccc1C2=O ZINC000020322329 204720453 /nfs/dbraw/zinc/72/04/53/204720453.db2.gz RVNXJBYMNBWKTE-UHFFFAOYSA-N 0 0 351.406 3.511 50 10 FHCARN O=C1c2ccccc2C(=O)c2c(NCCO)cc3oc4ccccc4c3c21 ZINC000036559210 205016101 /nfs/dbraw/zinc/01/61/01/205016101.db2.gz LRDGSCHPDRKDGL-UHFFFAOYSA-N 0 0 357.365 3.766 50 10 FHCARN Cc1cc(C(=O)Nc2ccc3oc(=O)[nH]c3c2)c(C)n1-c1ccccc1F ZINC000044755758 205110461 /nfs/dbraw/zinc/11/04/61/205110461.db2.gz XDFUHXAETNHGJA-UHFFFAOYSA-N 0 0 365.364 3.920 50 10 FHCARN COc1ccc2nc(/C=C3\SC(=S)N(C)C3=O)c(Cl)cc2c1 ZINC000057434729 205239631 /nfs/dbraw/zinc/23/96/31/205239631.db2.gz DRVWHJQZPUKRPL-QPEQYQDCSA-N 0 0 350.852 3.728 50 10 FHCARN Cc1ccc(C)n1-c1ccc(C(=O)Nc2ncn(Cc3ccccc3)n2)cc1 ZINC000058394091 205274407 /nfs/dbraw/zinc/27/44/07/205274407.db2.gz 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Cc1c(C)c(=O)oc2c(C)c3c(cc12)CN(c1ccc2c(c1)OCO2)CO3 ZINC000002122523 132253435 /nfs/dbraw/zinc/25/34/35/132253435.db2.gz ADXOJMNCCJZBSF-UHFFFAOYSA-N 0 0 365.385 3.803 50 10 biogenic FHCARN O=S(=O)(NCc1ccc(N2CCCCC2)cc1)c1ccc(Cl)cc1 ZINC000010113200 132381644 /nfs/dbraw/zinc/38/16/44/132381644.db2.gz YPOQSUOBPUKWOQ-UHFFFAOYSA-N 0 0 364.898 3.809 50 10 FHCARN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccc2c(c1)OCO2 ZINC000010962338 132849050 /nfs/dbraw/zinc/84/90/50/132849050.db2.gz BOXCXHLKPNZNKD-UHFFFAOYSA-N 0 0 352.434 3.678 50 10 FHCARN COc1ccccc1OCC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000015634273 132877786 /nfs/dbraw/zinc/87/77/86/132877786.db2.gz ZBKIVOJYSJQZAA-UHFFFAOYSA-N 0 0 368.477 3.723 50 10 FHCARN CCOc1nnc(CN2CCCc3cc(OC(F)(F)F)ccc32)s1 ZINC000060569410 136132407 /nfs/dbraw/zinc/13/24/07/136132407.db2.gz NWKUQGMDPIFWJJ-UHFFFAOYSA-N 0 0 359.373 3.788 50 10 FHCARN O=C(NCc1ccc(N2CCCCC2)cc1)c1cc(-c2ccco2)on1 ZINC000062224184 136132770 /nfs/dbraw/zinc/13/27/70/136132770.db2.gz DJGIINPBYPPIBN-UHFFFAOYSA-N 0 0 351.406 3.855 50 10 FHCARN C[C@H](NS(=O)(=O)c1ccccc1)c1ccc(N2CCC(C)CC2)cc1 ZINC000071376153 136139135 /nfs/dbraw/zinc/13/91/35/136139135.db2.gz HNJXLSIGNRVPCN-KRWDZBQOSA-N 0 0 358.507 3.962 50 10 FHCARN Cc1ccc(C)c(CC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000072119384 136141930 /nfs/dbraw/zinc/14/19/30/136141930.db2.gz XPUGWAGXQDFHNL-SFHVURJKSA-N 0 0 352.478 3.560 50 10 FHCARN COc1cccc(NC(=O)CSc2ncc(-c3ccccc3)n2C)c1 ZINC000005174956 263339103 /nfs/dbraw/zinc/33/91/03/263339103.db2.gz BLWVAFDYHAWEPZ-UHFFFAOYSA-N 0 0 353.447 3.827 50 10 FHCARN CC(C)SC1=NSC2=NC(=O)/C(=C\c3c[nH]c4ccccc34)C(=N)N12 ZINC000020154673 263379274 /nfs/dbraw/zinc/37/92/74/263379274.db2.gz VMFLQKBSIZVWLZ-UZIRPGAUSA-N 0 0 369.475 3.886 50 10 FHCARN COc1ccc(N2CCN(C(=O)CCc3scnc3C)CC2(C)C)cc1 ZINC000082083534 524410445 /nfs/dbraw/zinc/41/04/45/524410445.db2.gz ZOJGPKAFNMEZRI-UHFFFAOYSA-N 0 0 373.522 3.520 50 10 FHCARN CCc1cc(=O)oc2c(C)c3c(cc12)CN(c1ccc2c(c1)OCO2)CO3 ZINC000002113789 536095019 /nfs/dbraw/zinc/09/50/19/536095019.db2.gz IIZAWPFJDGBJIS-UHFFFAOYSA-N 0 0 365.385 3.749 50 10 biogenic FHCARN COc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(O)c(O)c2)cc1 ZINC000007883843 536666107 /nfs/dbraw/zinc/66/61/07/536666107.db2.gz KTMRZUJMBRQPBL-FQEVSTJZSA-N 0 0 362.385 3.878 50 10 FHCARN COc1ccc(N2CCOCC2)cc1NC(=O)/C=C/c1ccc(Cl)cc1 ZINC000041107645 536705010 /nfs/dbraw/zinc/70/50/10/536705010.db2.gz MQONQYKVHWZTED-RUDMXATFSA-N 0 0 372.852 3.837 50 10 FHCARN CC[C@@H](C)NC(=O)CSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1 ZINC000011607319 570483058 /nfs/dbraw/zinc/48/30/58/570483058.db2.gz AGUVBHYSHNYBAL-WBVHZDCISA-N 0 0 373.522 3.736 50 10 FHCARN O=C1/C(=C/c2cccc([N+](=O)[O-])c2)SC(=S)N1c1ccc(O)cc1 ZINC000001229690 570495816 /nfs/dbraw/zinc/49/58/16/570495816.db2.gz PJEVLTGYBCGWEP-ZROIWOOFSA-N 0 0 358.400 3.706 50 10 FHCARN CC1=NN(c2nc3ccccc3[nH]2)C(=O)C1=CNc1ccc(Cl)cc1 ZINC000100182501 570500918 /nfs/dbraw/zinc/50/09/18/570500918.db2.gz VSADGXGFTCNING-GXDHUFHOSA-N 0 0 351.797 3.935 50 10 FHCARN CCCC1=NN(c2ccc(F)cc2)C(=O)C1=CNC[C@@H](O)c1ccccc1 ZINC000100111182 570518267 /nfs/dbraw/zinc/51/82/67/570518267.db2.gz BRYOBWUWNPFOLE-ITICKHJUSA-N 0 0 367.424 3.536 50 10 FHCARN COc1cc(C=C2SC(=S)NC2=O)ccc1OCc1ccccc1 ZINC000012419466 570743877 /nfs/dbraw/zinc/74/38/77/570743877.db2.gz PNLIGOAITMKOBJ-YBEGLDIGSA-N 0 0 357.456 3.763 50 10 FHCARN Cc1cccc(OCCOc2cccc(C=C3SC(=S)NC3=O)c2)c1 ZINC000013942523 570798353 /nfs/dbraw/zinc/79/83/53/570798353.db2.gz BQUDXGJMHGBKEK-ATVHPVEESA-N 0 0 371.483 3.942 50 10 FHCARN CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccccc1 ZINC000014009184 570801332 /nfs/dbraw/zinc/80/13/32/570801332.db2.gz FBFNCEREYXFSNG-RGEXLXHISA-N 0 0 363.413 3.963 50 10 FHCARN CCN1C(=O)C(=Cc2ccc(-c3ccccc3)s2)C(=O)N(CC)C1=S ZINC000014017543 570802005 /nfs/dbraw/zinc/80/20/05/570802005.db2.gz BMWJIJWHXJCQSF-UHFFFAOYSA-N 0 0 370.499 3.794 50 10 FHCARN Cc1cc(C(=O)COC(=O)c2cnccn2)c(C)n1-c1ccc(Cl)cc1 ZINC000004504214 570802791 /nfs/dbraw/zinc/80/27/91/570802791.db2.gz BTNCZGOLLLEGAP-UHFFFAOYSA-N 0 0 369.808 3.577 50 10 FHCARN CSc1nc2n(n1)[C@@H](c1ccc(N(C)C)cc1)C1C(=O)CCCC1=N2 ZINC000102678149 570836074 /nfs/dbraw/zinc/83/60/74/570836074.db2.gz QRMZRULGTWSCPQ-INIZCTEOSA-N 0 0 355.467 3.738 50 10 FHCARN COc1ccc(O)c(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c1 ZINC000016215202 570852419 /nfs/dbraw/zinc/85/24/19/570852419.db2.gz HIPITHDKRGMZOH-YBEGLDIGSA-N 0 0 357.456 3.802 50 10 FHCARN CCCNC=C1C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1 ZINC000016672099 570860149 /nfs/dbraw/zinc/86/01/49/570860149.db2.gz JLRKTQMMWIJRGK-FYWRMAATSA-N 0 0 362.458 3.931 50 10 FHCARN CCOc1ccccc1Oc1coc2c(ccc([O-])c2C[NH+](C)C)c1=O ZINC000020391655 570915203 /nfs/dbraw/zinc/91/52/03/570915203.db2.gz HQPXTCAZYIPFKN-UHFFFAOYSA-N 0 0 355.390 3.751 50 10 FHCARN COCc1ccccc1NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000048261201 570938787 /nfs/dbraw/zinc/93/87/87/570938787.db2.gz QRHZHMHBDKBIDE-GOSISDBHSA-N 0 0 370.449 3.752 50 10 FHCARN Cc1cc(-n2c(C)cc(/C=C/C(=O)N3CCCc4ncccc43)c2C)no1 ZINC000025673857 570998675 /nfs/dbraw/zinc/99/86/75/570998675.db2.gz JCBKZFPYVDTXOP-CMDGGOBGSA-N 0 0 362.433 3.778 50 10 FHCARN O=C(NCc1ccc(N2CCCC2)cc1)c1nc(Cl)ccc1Cl ZINC000028330814 571031449 /nfs/dbraw/zinc/03/14/49/571031449.db2.gz SWTLUUFLVFHORB-UHFFFAOYSA-N 0 0 350.249 3.919 50 10 FHCARN CCOc1ccc(/C=C2/SC(N3CCC(C)CC3)=NC2=O)cc1OC ZINC000004694795 571068480 /nfs/dbraw/zinc/06/84/80/571068480.db2.gz LGUAYZMHZMNGFT-SFQUDFHCSA-N 0 0 360.479 3.796 50 10 FHCARN CCN(CC)CN1C(=O)S/C(=C\c2ccc(N(CC)CC)cc2)C1=O ZINC000034878697 571074979 /nfs/dbraw/zinc/07/49/79/571074979.db2.gz HSRPXQIWVQJRGS-LGMDPLHJSA-N 0 0 361.511 3.868 50 10 FHCARN FC(F)(F)Oc1ccc(N2CC[C@@H](CNc3cncc(Cl)n3)C2)cc1 ZINC000084405141 571084962 /nfs/dbraw/zinc/08/49/62/571084962.db2.gz COMNCBYYWKIGLE-NSHDSACASA-N 0 0 372.778 3.967 50 10 FHCARN COc1ccc(OC)c(C2=C/C(=C/c3ccc(N(C)C)cc3)C(=O)O2)c1 ZINC000001161735 571148737 /nfs/dbraw/zinc/14/87/37/571148737.db2.gz KVHMRQYMTBUJSY-PTNGSMBKSA-N 0 0 351.402 3.751 50 10 FHCARN COc1ccc(C2=C/C(=C/c3ccc([N+](=O)[O-])cc3)C(=O)O2)c(OC)c1 ZINC000001196536 571165842 /nfs/dbraw/zinc/16/58/42/571165842.db2.gz WAJZTMPUCDZATP-LCYFTJDESA-N 0 0 353.330 3.593 50 10 FHCARN CC1=C(C(=O)OC2CCC(C)CC2)[C@@H](c2ccc(N(C)C)cc2)NC(=O)N1 ZINC000001226005 571178916 /nfs/dbraw/zinc/17/89/16/571178916.db2.gz HYXYXSQAUIJADG-GFEPPQMASA-N 0 0 371.481 3.502 50 10 FHCARN CN(C)c1ccc(/C=C2\SC(=S)N(c3cccc(O)c3)C2=O)cc1 ZINC000013017250 571189464 /nfs/dbraw/zinc/18/94/64/571189464.db2.gz FQHPHHOGEXYWPT-YBEGLDIGSA-N 0 0 356.472 3.864 50 10 FHCARN COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)/C1=C\c1ccccc1F ZINC000005791451 571204426 /nfs/dbraw/zinc/20/44/26/571204426.db2.gz RLEZPILTSOFWRB-BOPFTXTBSA-N 0 0 367.376 3.712 50 10 FHCARN C[N@H+](Cc1ccc(N2CCCCC2)cc1)Cc1cc2c(cc1O)OCO2 ZINC000007317270 571264239 /nfs/dbraw/zinc/26/42/39/571264239.db2.gz DSZCMVCLFUSQRS-UHFFFAOYSA-N 0 0 354.450 3.743 50 10 FHCARN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@H]1Cc2ccccc2O1 ZINC000027157429 571277966 /nfs/dbraw/zinc/27/79/66/571277966.db2.gz GBRLPDRCXJXZJV-OAQYLSRUSA-N 0 0 350.462 3.639 50 10 FHCARN COCc1cc([N+](=O)[O-])ccc1N1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000080542972 571330150 /nfs/dbraw/zinc/33/01/50/571330150.db2.gz XOJVGMXHQTXXQZ-UHFFFAOYSA-N 0 0 364.405 3.911 50 10 FHCARN Cc1cc(CNC(=O)NC[C@@H]2CCCO2)c(C)n1-c1cccc(Cl)c1 ZINC000021881189 571336049 /nfs/dbraw/zinc/33/60/49/571336049.db2.gz DJHIYBAMRUMOOD-SFHVURJKSA-N 0 0 361.873 3.726 50 10 FHCARN O=C1N=C(N2CCCCC2)S/C1=C\c1c(Cl)nc2sccn12 ZINC000023379632 927431295 /nfs/dbraw/zinc/43/12/95/927431295.db2.gz GHLZMIHKDZKVAM-NTMALXAHSA-N 0 0 352.872 3.505 50 10 FHCARN CC(C)C(=O)N[C@@H](c1ccc(N(C)C)cc1)c1ccc2cccnc2c1O ZINC000002484229 204041701 /nfs/dbraw/zinc/04/17/01/204041701.db2.gz ZMPRXGIKEBLOJN-IBGZPJMESA-N 0 0 363.461 3.868 50 10 biogenic FHCARN Oc1ccc(O)c(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2cccnc2)c1 ZINC000010215430 204000461 /nfs/dbraw/zinc/00/04/61/204000461.db2.gz MELCPNMSNQTBDF-RXVVDRJESA-N 0 0 359.385 3.735 50 10 FHCARN Oc1ccc(O)c(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2ccncc2)c1 ZINC000010215425 204001495 /nfs/dbraw/zinc/00/14/95/204001495.db2.gz UHVOUOCHBMZACT-NQIIRXRSSA-N 0 0 359.385 3.735 50 10 FHCARN COc1ccc(/C=C2\SC(N(C)c3ccc(O)cc3)=NC2=O)cc1OC ZINC000001470577 204009198 /nfs/dbraw/zinc/00/91/98/204009198.db2.gz PQLZYUDCIDNFNH-BOPFTXTBSA-N 0 0 370.430 3.516 50 10 FHCARN CCCCNC(=O)CCN1C(=O)/C(=C/c2ccc(C)cc2)SC1=S ZINC000002197247 204028862 /nfs/dbraw/zinc/02/88/62/204028862.db2.gz UZYYUUZZTMBFEG-QINSGFPZSA-N 0 0 362.520 3.503 50 10 FHCARN O=C1c2ccccc2C(=O)C1(Nc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000003039434 204075183 /nfs/dbraw/zinc/07/51/83/204075183.db2.gz DZASDXOJQKFKGH-UHFFFAOYSA-N 0 0 358.353 3.981 50 10 FHCARN COc1ccc(N2CC[C@@H](CNC(=S)Nc3ccccc3OC)C2)cc1 ZINC000003051051 204075739 /nfs/dbraw/zinc/07/57/39/204075739.db2.gz YIZVQIFCOSGOGL-HNNXBMFYSA-N 0 0 371.506 3.517 50 10 FHCARN CCCOC(=O)[C@H](C(C)C)N1C(=O)/C(=C/c2ccccc2)SC1=S ZINC000003192816 204081256 /nfs/dbraw/zinc/08/12/56/204081256.db2.gz AKPODHUXNIKXFM-SZGZABIGSA-N 0 0 363.504 3.866 50 10 FHCARN O=C(Nc1cc(=O)n(-c2ccc(Oc3ccccc3)cc2)[nH]1)c1ccccc1 ZINC000002565273 204045223 /nfs/dbraw/zinc/04/52/23/204045223.db2.gz FGCDQBHDUJXTRT-UHFFFAOYSA-N 0 0 371.396 3.959 50 10 FHCARN COc1ccc2c(c1)c(/C=C/c1nc3ccccc3c(=O)n1C)c(C)n2C ZINC000003894045 204112813 /nfs/dbraw/zinc/11/28/13/204112813.db2.gz RJLHERBVQQIVFM-ZRDIBKRKSA-N 0 0 359.429 3.913 50 10 biogenic FHCARN O=c1c2ccccc2nc(-c2ccc(F)cc2)n1NCc1ccccc1O ZINC000003902707 204113750 /nfs/dbraw/zinc/11/37/50/204113750.db2.gz QHPWVSMQNYFASY-UHFFFAOYSA-N 0 0 361.376 3.652 50 10 FHCARN CCN1C(=O)/C(=C\c2cc(C)n(-c3ccccc3)c2C)C(C(=O)OC)=C1C ZINC000004117357 204121609 /nfs/dbraw/zinc/12/16/09/204121609.db2.gz HDJTYEKTCYTRMY-UYRXBGFRSA-N 0 0 364.445 3.787 50 10 FHCARN O=C(Nc1ccc2c(c1)OCO2)c1ccc(C(=O)C(=O)c2ccccc2)cc1 ZINC000003371783 204095339 /nfs/dbraw/zinc/09/53/39/204095339.db2.gz HGGXMDUEOKLUFW-UHFFFAOYSA-N 0 0 373.364 3.733 50 10 FHCARN Cc1cc(C(=O)CSc2nnc(N)s2)c(C)n1-c1ccc(F)cc1 ZINC000003509854 204104489 /nfs/dbraw/zinc/10/44/89/204104489.db2.gz SFLYICFLPIQDKK-UHFFFAOYSA-N 0 0 362.455 3.642 50 10 FHCARN CCCCOC(=O)CCN1C(=O)/C(=C\c2cccs2)SC1=S ZINC000004746267 204160142 /nfs/dbraw/zinc/16/01/42/204160142.db2.gz JCRYMNGIIYYMPS-ZRDIBKRKSA-N 0 0 355.506 3.683 50 10 FHCARN CC(=O)c1ccc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 ZINC000004427906 204139127 /nfs/dbraw/zinc/13/91/27/204139127.db2.gz FKCZFSLFHCWCCE-UHFFFAOYSA-N 0 0 369.376 3.917 50 10 FHCARN CCc1ccc(N2NC(=O)/C(=C/c3ccc(-c4ccccc4)o3)C2=O)cc1 ZINC000004471907 204139907 /nfs/dbraw/zinc/13/99/07/204139907.db2.gz NKLDKEUNSNSZPL-RGEXLXHISA-N 0 0 358.397 3.970 50 10 FHCARN O=C(CCCN1C(=O)/C(=C\c2ccco2)SC1=S)Nc1ccccc1 ZINC000004536562 204144069 /nfs/dbraw/zinc/14/40/69/204144069.db2.gz VPZOMUQTPOXKRE-NTCAYCPXSA-N 0 0 372.471 3.900 50 10 FHCARN COc1ccccc1NNC=C1C(C)=NN(c2ccc(C)c(C)c2)C1=O ZINC000005342538 204203595 /nfs/dbraw/zinc/20/35/95/204203595.db2.gz LQAXYMOJURENKA-ATVHPVEESA-N 0 0 350.422 3.535 50 10 FHCARN Cc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c(C)n1-c1ccccc1 ZINC000005612986 204218391 /nfs/dbraw/zinc/21/83/91/204218391.db2.gz YGYANHHTEASAOU-XSFVSMFZSA-N 0 0 357.413 3.556 50 10 FHCARN CC1=CSC2=NC(=O)/C(=C\c3cccn3-c3ccccc3F)C(=N)N12 ZINC000004909199 204174457 /nfs/dbraw/zinc/17/44/57/204174457.db2.gz HARCIGCVVDUKIQ-PNZWKLPWSA-N 0 0 352.394 3.783 50 10 FHCARN CCCC(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCc2ccccc21 ZINC000005098635 204191951 /nfs/dbraw/zinc/19/19/51/204191951.db2.gz SVZPDDZMJMXHIX-OAQYLSRUSA-N 0 0 351.494 3.773 50 10 FHCARN CC1=NN(c2ccc(C)cc2C)C(=O)C1=CNc1ccc(N)c([N+](=O)[O-])c1 ZINC000005277158 204201560 /nfs/dbraw/zinc/20/15/60/204201560.db2.gz LRGLHQIFAJXMDV-XNTDXEJSSA-N 0 0 365.393 3.512 50 10 FHCARN C[C@H]1Oc2ccccc2C=C1/C=C1\SC(=S)N(C[C@H]2CCCO2)C1=O ZINC000005880950 204227804 /nfs/dbraw/zinc/22/78/04/204227804.db2.gz FFYFMWLSSWIMSP-CDKZENOQSA-N 0 0 373.499 3.774 50 10 FHCARN O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)c1ccc(O)c(O)c1 ZINC000006172346 204239248 /nfs/dbraw/zinc/23/92/48/204239248.db2.gz LJQVJNGFRYYMSU-UHFFFAOYSA-N 0 0 362.794 3.776 50 10 FHCARN CN(C1=NC(=O)/C(=C2/C(=O)Nc3ccccc32)S1)c1ccc(Cl)cc1 ZINC000006568841 204254924 /nfs/dbraw/zinc/25/49/24/204254924.db2.gz QFCJTELIRNHFQL-PFONDFGASA-N 0 0 369.833 3.769 50 10 FHCARN CC(C)Cn1c(-c2ccc(Br)cc2)cnc1SCC(N)=O ZINC000006977540 204284679 /nfs/dbraw/zinc/28/46/79/204284679.db2.gz VITMIVATPXYLFW-UHFFFAOYSA-N 0 0 368.300 3.546 50 10 FHCARN CCc1ccc(-n2c(C)cc(C(=O)Cn3c(C)ncc3[N+](=O)[O-])c2C)cc1 ZINC000007463078 204297528 /nfs/dbraw/zinc/29/75/28/204297528.db2.gz LTUFPYUFGXQLQR-UHFFFAOYSA-N 0 0 366.421 3.953 50 10 FHCARN CN(C)c1cc(Nc2ccccc2)c2c(c1N)C(=O)c1ccccc1C2=O ZINC000006669744 204259282 /nfs/dbraw/zinc/25/92/82/204259282.db2.gz ZQYOIFVDJOWQGD-UHFFFAOYSA-N 0 0 357.413 3.854 50 10 FHCARN CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2ccc(F)cc2)cc1 ZINC000006747925 204265436 /nfs/dbraw/zinc/26/54/36/204265436.db2.gz LWXXBEAEFBVDHW-HXUWFJFHSA-N 0 0 356.441 3.713 50 10 FHCARN Cc1cc(C(=O)C(=O)NCc2ccco2)c(C)n1-c1cccc(Cl)c1 ZINC000006780904 204268923 /nfs/dbraw/zinc/26/89/23/204268923.db2.gz SBNAULKTEMWQQW-UHFFFAOYSA-N 0 0 356.809 3.840 50 10 FHCARN O=C(CSc1nc(C2CC2)nc2ccccc21)c1ccc(O)c(O)c1 ZINC000009155525 204355698 /nfs/dbraw/zinc/35/56/98/204355698.db2.gz KOFZOBQLHQLUJV-UHFFFAOYSA-N 0 0 352.415 3.893 50 10 FHCARN CC(=O)Nc1ccc(NC=C2SC(=S)N(CCC(C)C)C2=O)cc1 ZINC000009422113 204367563 /nfs/dbraw/zinc/36/75/63/204367563.db2.gz COCUFPFODMCLAT-XNTDXEJSSA-N 0 0 363.508 3.805 50 10 FHCARN COc1ccc(NC2=NC(=O)C(=Cc3cccc([N+](=O)[O-])c3)S2)cc1 ZINC000008720599 204340898 /nfs/dbraw/zinc/34/08/98/204340898.db2.gz JKDZRJSCRCRTBC-XNTDXEJSSA-N 0 0 355.375 3.686 50 10 FHCARN O=C(CSc1ncnc2c3ccccc3oc21)c1ccc(O)c(O)c1 ZINC000009949508 204387542 /nfs/dbraw/zinc/38/75/42/204387542.db2.gz WGASOOKDKZFESB-UHFFFAOYSA-N 0 0 352.371 3.762 50 10 FHCARN COc1ccc(NC(=O)C[C@@H]2SC(=O)N(c3ccccc3C)C2=O)cc1 ZINC000012136915 204433237 /nfs/dbraw/zinc/43/32/37/204433237.db2.gz XHNQHQVDIJKIFR-INIZCTEOSA-N 0 0 370.430 3.601 50 10 FHCARN COc1ccc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)cc1O ZINC000013602638 204539124 /nfs/dbraw/zinc/53/91/24/204539124.db2.gz HZHYZDIHRZUERA-NVNXTCNLSA-N 0 0 361.419 3.946 50 10 FHCARN COc1ccc(/C=C2\SC(=S)N(Nc3ccccc3)C2=O)cc1OC ZINC000016677500 204641006 /nfs/dbraw/zinc/64/10/06/204641006.db2.gz UBWNVHGYPVRQLR-WJDWOHSUSA-N 0 0 372.471 3.932 50 10 FHCARN COc1ccc(N(Cc2nnnn2-c2ccccc2)Cc2ccccc2)cc1 ZINC000032836261 204941271 /nfs/dbraw/zinc/94/12/71/204941271.db2.gz WZRDBMIUZYNFRL-UHFFFAOYSA-N 0 0 371.444 3.878 50 10 FHCARN CN(C)c1ccc(CNC(=O)c2cc(-c3ccccc3Cl)n[nH]2)cc1 ZINC000043804825 205105949 /nfs/dbraw/zinc/10/59/49/205105949.db2.gz IDXGUPFAGGEKLV-UHFFFAOYSA-N 0 0 354.841 3.726 50 10 FHCARN CN(C)c1ccc(CNC(=O)c2cc(-c3cccc(Cl)c3)n[nH]2)cc1 ZINC000043781239 205105190 /nfs/dbraw/zinc/10/51/90/205105190.db2.gz GURUFJLRJRUOOM-UHFFFAOYSA-N 0 0 354.841 3.726 50 10 FHCARN Cn1cc(/C=C/C(=O)N(Cc2ccccn2)c2ccc(Cl)cc2)cn1 ZINC000055788979 205224904 /nfs/dbraw/zinc/22/49/04/205224904.db2.gz HDGKTMVGINNWKF-BJMVGYQFSA-N 0 0 352.825 3.715 50 10 FHCARN CN(C)c1ccc(CNC(=O)N[C@H](c2ccc(F)cc2)[C@H]2CCCO2)cc1 ZINC000056347116 205229397 /nfs/dbraw/zinc/22/93/97/205229397.db2.gz GRPUCCZJAPRSTM-WOJBJXKFSA-N 0 0 371.456 3.611 50 10 FHCARN Cc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)s1 ZINC000057512272 205241431 /nfs/dbraw/zinc/24/14/31/205241431.db2.gz QSPVWHAJZJNIPP-GOSISDBHSA-N 0 0 358.507 3.944 50 10 FHCARN COC(=O)C1=C(C)N(c2ccccc2F)C(=O)/C1=C\c1ccc(F)cc1 ZINC000000797815 206133670 /nfs/dbraw/zinc/13/36/70/206133670.db2.gz BDYCOHMYKNGDFW-PTNGSMBKSA-N 0 0 355.340 3.842 50 10 FHCARN CC(C)(C)NC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S ZINC000001217905 206144733 /nfs/dbraw/zinc/14/47/33/206144733.db2.gz SPOZXHOISZMHNT-BENRWUELSA-N 0 0 368.549 3.644 50 10 FHCARN CCn1c(-c2ccccc2)cnc1SCc1cc(=O)n2ccsc2n1 ZINC000007126159 206205753 /nfs/dbraw/zinc/20/57/53/206205753.db2.gz PIBRPSUFELCUEM-UHFFFAOYSA-N 0 0 368.487 3.932 50 10 FHCARN CCOC(=O)C(=Cc1cc(C)n(-c2ccc(C)cc2)c1C)C(=O)OCC ZINC000005446673 206196150 /nfs/dbraw/zinc/19/61/50/206196150.db2.gz IMOJVAATRFELRN-UHFFFAOYSA-N 0 0 355.434 3.912 50 10 FHCARN COc1ccc(NC2=NC(=O)C(=Cc3ccc(N4CCCC4)o3)S2)cc1 ZINC000005796135 206197757 /nfs/dbraw/zinc/19/77/57/206197757.db2.gz JEMMLKISHJYHQN-FOWTUZBSSA-N 0 0 369.446 3.971 50 10 FHCARN COc1ccc(C2=NN(C(=O)c3cccnc3)[C@@H](c3ccccc3O)C2)cc1 ZINC000007985257 206213988 /nfs/dbraw/zinc/21/39/88/206213988.db2.gz DZQLWTMSEHWCNE-HXUWFJFHSA-N 0 0 373.412 3.787 50 10 FHCARN Cc1cccc(NC(=O)CN2C(=O)/C(=C\c3cccs3)SC2=S)c1 ZINC000006131975 206241907 /nfs/dbraw/zinc/24/19/07/206241907.db2.gz CAIMSRDYGLGAKM-NTEUORMPSA-N 0 0 374.512 3.896 50 10 FHCARN CN(C)c1ccc(CNC(=O)c2occc2COc2ccccc2)cc1 ZINC000012517265 206291498 /nfs/dbraw/zinc/29/14/98/206291498.db2.gz XDCAIIQJZDMEGZ-UHFFFAOYSA-N 0 0 350.418 3.855 50 10 FHCARN O=C1/C(=C/c2cccc(F)c2)SC(=S)N1c1ccc2c(c1)OCO2 ZINC000013714629 206306608 /nfs/dbraw/zinc/30/66/08/206306608.db2.gz 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CCCn1ccnc1[C@@H]1c2[nH]cnc2CCN1Cc1cc(Cl)ccc1O ZINC000072421674 571193337 /nfs/dbraw/zinc/19/33/37/571193337.db2.gz CIWMYAIXNSEXPO-SFHVURJKSA-N 0 0 371.872 3.523 50 10 FHCARN CCOc1cc2c(cc1NC(=O)N(C)Cc1ccccc1O)O[C@@H](C)C2 ZINC000079649418 571327741 /nfs/dbraw/zinc/32/77/41/571327741.db2.gz PAKLNPQVYMPAJC-ZDUSSCGKSA-N 0 0 356.422 3.778 50 10 FHCARN O=C1N=C(N2CCCCC2)SC1=Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000054216800 946642210 /nfs/dbraw/zinc/64/22/10/946642210.db2.gz DFOSZNVKYLAKGM-XNTDXEJSSA-N 0 0 356.426 3.672 50 10 FHCARN Cc1ccccc1-c1ccc(/C=C2/SC(N3CCOCC3)=NC2=O)o1 ZINC000000851136 203957608 /nfs/dbraw/zinc/95/76/08/203957608.db2.gz MJLFYBQTUSOOMC-SFQUDFHCSA-N 0 0 354.431 3.558 50 10 FHCARN O=c1oc(-c2ccc(C(F)(F)F)cc2)nn1Cc1cc(Cl)ccc1O ZINC000001489679 204009412 /nfs/dbraw/zinc/00/94/12/204009412.db2.gz QKOWACXSXTXRKA-UHFFFAOYSA-N 0 0 370.714 3.929 50 10 in-vitro FHCARN NC(=O)CCCCCN1C(=O)/C(=C\c2ccc(Cl)cc2)SC1=S ZINC000001765941 204017961 /nfs/dbraw/zinc/01/79/61/204017961.db2.gz 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204161772 /nfs/dbraw/zinc/16/17/72/204161772.db2.gz YDVIZGCUHSAYLZ-UHFFFAOYSA-N 0 0 368.385 3.719 50 10 FHCARN CCOC(=O)c1ccc(N2C(=O)/C(=C\c3cccnc3)SC2=S)cc1 ZINC000004461474 204139531 /nfs/dbraw/zinc/13/95/31/204139531.db2.gz SLEMQNUPECRUFZ-XNTDXEJSSA-N 0 0 370.455 3.664 50 10 FHCARN Cn1c(-c2ccccc2)cnc1SCC(=O)NCCc1ccccc1 ZINC000005263735 204199271 /nfs/dbraw/zinc/19/92/71/204199271.db2.gz FUHXGEWONRBFKY-UHFFFAOYSA-N 0 0 351.475 3.538 50 10 FHCARN O=C1/C(=C/c2ccc(O)cc2)SC(=S)N1Cc1ccc2c(c1)OCO2 ZINC000006241370 204242008 /nfs/dbraw/zinc/24/20/08/204242008.db2.gz NUYKSISCOWDBNR-PXNMLYILSA-N 0 0 371.439 3.522 50 10 FHCARN Cc1cc(C(=O)COC(=O)c2ccc(O)cc2O)c(C)n1-c1ccccc1 ZINC000006534612 204252802 /nfs/dbraw/zinc/25/28/02/204252802.db2.gz ONNFEVWJETXCCK-UHFFFAOYSA-N 0 0 365.385 3.545 50 10 FHCARN COc1cccc([C@@H]2Nc3ccccc3C(=O)N2CC(F)(F)F)c1O ZINC000007113282 204289034 /nfs/dbraw/zinc/28/90/34/204289034.db2.gz SXKINAXSCNWZSG-OAHLLOKOSA-N 0 0 352.312 3.530 50 10 FHCARN 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O=C1N=C(N2CCN(c3ccccc3F)CC2)S/C1=C\c1ccccc1 ZINC000002374045 132383347 /nfs/dbraw/zinc/38/33/47/132383347.db2.gz TUXYTCAHIQSRON-JXAWBTAJSA-N 0 0 367.449 3.618 50 10 FHCARN Cc1ccn2cc(C(=O)N(C)Cc3ccc(N4CCCCC4)cc3)nc2c1 ZINC000012559218 132860739 /nfs/dbraw/zinc/86/07/39/132860739.db2.gz YVBSHIKMTOYOHQ-UHFFFAOYSA-N 0 0 362.477 3.905 50 10 FHCARN COc1ccc(N2CCN(Cc3ccc(Br)s3)CC2)cc1 ZINC000055543001 136126790 /nfs/dbraw/zinc/12/67/90/136126790.db2.gz XBEACWWLXMPPKV-UHFFFAOYSA-N 0 0 367.312 3.841 50 10 FHCARN COc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2cccc(O)c2O)cc1 ZINC000007883829 536666415 /nfs/dbraw/zinc/66/64/15/536666415.db2.gz RQFDQCBOVZDURV-FQEVSTJZSA-N 0 0 362.385 3.878 50 10 FHCARN COc1ccc(NCc2cc(Br)cc(OC)c2O)c(OC)c1 ZINC000000629142 567891268 /nfs/dbraw/zinc/89/12/68/567891268.db2.gz OUOPRNABNAIKGP-UHFFFAOYSA-N 0 0 368.227 3.793 50 10 FHCARN COc1cc(/C=C2/SC(c3ccc(C)cc3)=NC2=O)cc(OC)c1O ZINC000033341351 568497762 /nfs/dbraw/zinc/49/77/62/568497762.db2.gz GOXBBIMCZQLBKU-MHWRWJLKSA-N 0 0 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/nfs/dbraw/zinc/77/85/47/570778547.db2.gz WQLIDELDBIQOGP-UHFFFAOYSA-N 0 0 360.841 3.746 50 10 FHCARN CN(C)c1ccc(CN(C)C(=O)c2cc(F)ccc2Br)cc1 ZINC000032747583 570792522 /nfs/dbraw/zinc/79/25/22/570792522.db2.gz XOMPUMZVROQPIA-UHFFFAOYSA-N 0 0 365.246 3.926 50 10 FHCARN Cc1cccc(C2=NN3C(=NC(=O)/C(=C/c4ccc(F)cc4)C3=N)S2)c1 ZINC000013943046 570798388 /nfs/dbraw/zinc/79/83/88/570798388.db2.gz DXFQDXTVJKILRW-GDXBMZNVSA-N 0 0 364.405 3.802 50 10 FHCARN Oc1ccc(Br)cc1CNc1ccc(Br)cn1 ZINC000018324853 570837717 /nfs/dbraw/zinc/83/77/17/570837717.db2.gz MVGJCGYJIVMQRP-UHFFFAOYSA-N 0 0 358.033 3.924 50 10 FHCARN COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc(OC)c1O ZINC000016195059 570851947 /nfs/dbraw/zinc/85/19/47/570851947.db2.gz ULFLIJAGZDBSQM-GDNBJRDFSA-N 0 0 373.455 3.815 50 10 FHCARN Cc1cc(C(=O)Cn2ccccc2=O)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000019296379 570885263 /nfs/dbraw/zinc/88/52/63/570885263.db2.gz HJIOSACXPVATBE-UHFFFAOYSA-N 0 0 372.371 3.740 50 10 FHCARN Fc1c(F)c(N2CCCCC2)c(F)c(F)c1/C=C/CN1CCOCC1 ZINC000020406448 570915604 /nfs/dbraw/zinc/91/56/04/570915604.db2.gz NKLOCYZMCZPHDZ-SNAWJCMRSA-N 0 0 358.379 3.579 50 10 FHCARN O=c1oc2c(cc(Cl)c([O-])c2C[NH2+]Cc2cccnc2)c2c1CCCC2 ZINC000020573520 570920476 /nfs/dbraw/zinc/92/04/76/570920476.db2.gz VJUFTNLCQIAKEI-UHFFFAOYSA-N 0 0 370.836 3.716 50 10 FHCARN COCc1ccccc1NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000048261199 570938425 /nfs/dbraw/zinc/93/84/25/570938425.db2.gz QRHZHMHBDKBIDE-SFHVURJKSA-N 0 0 370.449 3.752 50 10 FHCARN C[C@@H]1CCCN(C2=NC(=O)C(=Cc3c[nH]nc3-c3ccccc3)S2)C1 ZINC000606422249 570996060 /nfs/dbraw/zinc/99/60/60/570996060.db2.gz FQRJZPHJKIARNY-YDRQLGOLSA-N 0 0 352.463 3.779 50 10 FHCARN O=C1N=C(N2CCCCC2)S/C1=C\c1ccc(O)c(Br)c1 ZINC000026456112 571005786 /nfs/dbraw/zinc/00/57/86/571005786.db2.gz IAAOGNRMMJCWPL-LCYFTJDESA-N 0 0 367.268 3.611 50 10 FHCARN CSc1nnc(CNC(=O)c2cc(C)n(-c3ccccc3C)c2C)s1 ZINC000225484198 571039293 /nfs/dbraw/zinc/03/92/93/571039293.db2.gz FTPFXMVVJUXCSS-UHFFFAOYSA-N 0 0 372.519 3.906 50 10 FHCARN CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)ccc1OC(F)F ZINC000007717792 571071965 /nfs/dbraw/zinc/07/19/65/571071965.db2.gz IUWHVLWWPCFIOU-WQLSENKSSA-N 0 0 359.419 3.908 50 10 FHCARN C[C@H]1CN(c2ccccc2NC(=O)N(C)Cc2ccccc2O)C[C@H](C)O1 ZINC000047810741 571128615 /nfs/dbraw/zinc/12/86/15/571128615.db2.gz VRDRHNMRTAXHPW-HOTGVXAUSA-N 0 0 369.465 3.670 50 10 FHCARN CN(C)c1ccc(/C=C2\N=C(c3ccc(Br)cc3)OC2=O)cc1 ZINC000000918759 571130315 /nfs/dbraw/zinc/13/03/15/571130315.db2.gz BOQMHTZTAGMVHG-WJDWOHSUSA-N 0 0 371.234 3.860 50 10 FHCARN CC(=O)c1ccc(N=NC(C(N)=O)=C2NC(C)(C)Cc3ccccc32)cc1 ZINC000254522231 571140076 /nfs/dbraw/zinc/14/00/76/571140076.db2.gz ZXSRRUROLCGTBS-ASEVQSCHSA-N 0 0 362.433 3.751 50 10 FHCARN Cc1cccc(N2C(=O)/C(=C3\OC(=O)c4ccccc43)SC2=S)c1 ZINC000075259881 571158638 /nfs/dbraw/zinc/15/86/38/571158638.db2.gz SCDBADDOHCGLET-CCEZHUSRSA-N 0 0 353.424 3.899 50 10 FHCARN CN(C)c1ccc(CN(C)C(=O)CCc2nc3ccccc3s2)cc1 ZINC000012533882 571175407 /nfs/dbraw/zinc/17/54/07/571175407.db2.gz 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O=c1nc2n(nc1-c1ccccc1)[C@H](c1ccccc1O)Nc1ccccc1-2 ZINC000101892600 570825281 /nfs/dbraw/zinc/82/52/81/570825281.db2.gz HPBMVWJKPUCCSV-OAQYLSRUSA-N 0 0 368.396 3.650 50 10 FHCARN O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)SC(=S)N1Cc1ccccc1 ZINC000015009735 570828907 /nfs/dbraw/zinc/82/89/07/570828907.db2.gz WAXFSZOLSONKKH-XNTDXEJSSA-N 0 0 356.428 3.996 50 10 FHCARN CCOC(=O)C1=NN(c2ccccc2)C(=O)/C1=C/c1c[nH]c2ccccc12 ZINC000103342132 570847593 /nfs/dbraw/zinc/84/75/93/570847593.db2.gz KYTPUDIOWBXPDY-SFQUDFHCSA-N 0 0 359.385 3.517 50 10 FHCARN Cc1ccc(/C=C2/SC(=S)N(CCCC(=O)N3CCCC3)C2=O)cc1 ZINC000016661688 570860158 /nfs/dbraw/zinc/86/01/58/570860158.db2.gz OKLMYSIPWWSRLZ-DTQAZKPQSA-N 0 0 374.531 3.599 50 10 FHCARN CCN1CCN(C2=NC(=O)/C(=C/c3ccc(Cl)c(Cl)c3)S2)CC1 ZINC000019842474 570904946 /nfs/dbraw/zinc/90/49/46/570904946.db2.gz VVRYMWYTSNLPNB-UVTDQMKNSA-N 0 0 370.305 3.601 50 10 FHCARN [O-]c1c(F)cccc1C[NH+]1CCC(n2cc(-c3ccsc3)nn2)CC1 ZINC000020209830 570913228 /nfs/dbraw/zinc/91/32/28/570913228.db2.gz SCKIAEQBOVCNQQ-UHFFFAOYSA-N 0 0 358.442 3.688 50 10 FHCARN C[C@@H]1CN(c2ccccc2NC(=O)N(C)Cc2ccccc2O)C[C@H](C)O1 ZINC000047810738 570931368 /nfs/dbraw/zinc/93/13/68/570931368.db2.gz VRDRHNMRTAXHPW-IYBDPMFKSA-N 0 0 369.465 3.670 50 10 FHCARN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(F)cc1Cl ZINC000010907146 570963717 /nfs/dbraw/zinc/96/37/17/570963717.db2.gz XTWXUZPCYPBMSQ-UHFFFAOYSA-N 0 0 362.832 3.588 50 10 FHCARN COc1cc2c(cc1NCC(=O)Nc1cc(C)no1)oc1ccccc12 ZINC000024249230 570973419 /nfs/dbraw/zinc/97/34/19/570973419.db2.gz LZRVZFYKLIIENN-UHFFFAOYSA-N 0 0 351.362 3.942 50 10 FHCARN Cc1cccc(-n2ccnc2SCC(=O)c2ccc(O)c(O)c2)c1C ZINC000026047303 571002559 /nfs/dbraw/zinc/00/25/59/571002559.db2.gz VUEZUPLFGKYCIS-UHFFFAOYSA-N 0 0 354.431 3.875 50 10 FHCARN CN(Cc1ccccc1O)C(=O)[C@@H]1C[C@@H]1c1ccccc1Br ZINC000083865575 571054834 /nfs/dbraw/zinc/05/48/34/571054834.db2.gz ULGARGQGRCQBKR-HUUCEWRRSA-N 0 0 360.251 3.917 50 10 FHCARN CCOc1ccc(-n2c(C)cc(C(=O)Cn3ccccc3=O)c2C)cc1 ZINC000012750623 571075674 /nfs/dbraw/zinc/07/56/74/571075674.db2.gz BAQWPQNFBHNUGK-UHFFFAOYSA-N 0 0 350.418 3.537 50 10 FHCARN CCc1cc2c(=O)c(-c3nc4ccccc4[nH]3)coc2c(C[NH+](C)C)c1[O-] ZINC000000870793 571107761 /nfs/dbraw/zinc/10/77/61/571107761.db2.gz WODPKECPEKLTJE-UHFFFAOYSA-N 0 0 363.417 3.666 50 10 FHCARN O=C(NCc1ccccc1)c1ccc2c3c1noc3-c1ccccc1C2=O ZINC000001509858 571125196 /nfs/dbraw/zinc/12/51/96/571125196.db2.gz LLDMGBQKFFYFIZ-UHFFFAOYSA-N 0 0 354.365 3.969 50 10 FHCARN CC[C@H](C)[C@H](NC(=O)c1cc(C)n(-c2ccccc2F)c1C)C(=O)OC ZINC000058342351 571130949 /nfs/dbraw/zinc/13/09/49/571130949.db2.gz JYXDLYLBFWCYKA-SGTLLEGYSA-N 0 0 360.429 3.551 50 10 FHCARN Cc1cc(C(=O)COC(=O)CC(C)(C)C)c(C)n1-c1ccc2c(c1)OCO2 ZINC000003451003 571183990 /nfs/dbraw/zinc/18/39/90/571183990.db2.gz NNZQMEVIQNUFMW-UHFFFAOYSA-N 0 0 371.433 3.985 50 10 FHCARN CCC1=NN2C(=NC(=O)/C(=C/c3ccc(-c4ccccc4)o3)C2=N)S1 ZINC000003864198 571187878 /nfs/dbraw/zinc/18/78/78/571187878.db2.gz GEASTAGYBODRQH-BBDQWHKDSA-N 0 0 350.403 3.976 50 10 FHCARN CN(C)c1ccc(C[N@@H+]2CC[C@@]23CCCN(C(=O)OC(C)(C)C)C3)cc1 ZINC000252509990 571281408 /nfs/dbraw/zinc/28/14/08/571281408.db2.gz YZOIKHHUKZLFSW-OAQYLSRUSA-N 0 0 359.514 3.728 50 10 FHCARN CCOC(=O)[C@@](CC)(N=Nc1cc2c(C)cc(=O)oc2cc1C)C(C)=O ZINC000252617438 571286175 /nfs/dbraw/zinc/28/61/75/571286175.db2.gz KSVNETLGCGTQCQ-IBGZPJMESA-N 0 0 358.394 3.794 50 10 FHCARN CCCCOc1ccc(/C=C2\SC(N3C[C@@H](C)O[C@H](C)C3)=NC2=O)cc1 ZINC000002323988 571318141 /nfs/dbraw/zinc/31/81/41/571318141.db2.gz SQEZTFTVGCDAGK-QIWHAVBOSA-N 0 0 374.506 3.945 50 10 FHCARN CC(=O)N1N=C(c2ccccc2)C[C@H]1c1ccc(Br)cc1O ZINC000079112402 571327085 /nfs/dbraw/zinc/32/70/85/571327085.db2.gz WNVBMGMCMUBRGL-INIZCTEOSA-N 0 0 359.223 3.852 50 10 FHCARN Cc1cc2c(cc1Br)NC(=O)[C@@]21NN=C(c2ccccc2)S1 ZINC000002488939 571337284 /nfs/dbraw/zinc/33/72/84/571337284.db2.gz ISUSNWLURNJLSD-MRXNPFEDSA-N 0 0 374.263 3.561 50 10 FHCARN Cc1cc(C(=O)CSc2ncccn2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000003474824 571350180 /nfs/dbraw/zinc/35/01/80/571350180.db2.gz SXVUYYZHYVPBCR-UHFFFAOYSA-N 0 0 367.430 3.588 50 10 FHCARN CCCOC(=O)CCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S ZINC000004070702 571354742 /nfs/dbraw/zinc/35/47/42/571354742.db2.gz LEDPQVZXDNEDPK-RAXLEYEMSA-N 0 0 369.895 3.885 50 10 FHCARN Cc1cccc(C2=NN3C(=NC(=O)/C(=C/c4cccs4)C3=N)S2)c1 ZINC000003854691 941316225 /nfs/dbraw/zinc/31/62/25/941316225.db2.gz RFDJSKVDSSTBFK-WVXZETEUSA-N 0 0 352.444 3.724 50 10 FHCARN N=C1/C(=C/c2ccc(-c3cccc(Cl)c3)o2)C(=O)N=C2SC=NN21 ZINC000033334467 209858347 /nfs/dbraw/zinc/85/83/47/209858347.db2.gz SBEIWDAXZIFESE-UZIRPGAUSA-N 0 0 356.794 3.849 50 10 FHCARN CC1(c2ccccc2)OC(=O)C(=Cc2ccc(Br)cc2)C(=O)O1 ZINC000001074004 219365529 /nfs/dbraw/zinc/36/55/29/219365529.db2.gz SUUKEACFKCSXMX-UHFFFAOYSA-N 0 0 373.202 3.805 50 10 FHCARN O=C1/C(=C\c2ccc3c(c2)OCO3)SC(=S)N1Cc1ccccc1 ZINC000005515951 209505888 /nfs/dbraw/zinc/50/58/88/209505888.db2.gz SUILSQAFNXUKTN-CXUHLZMHSA-N 0 0 355.440 3.817 50 10 FHCARN COc1ccc(OC)c(C2=C/C(=C/c3ccc([N+](=O)[O-])cc3)C(=O)O2)c1 ZINC000002918928 209493663 /nfs/dbraw/zinc/49/36/63/209493663.db2.gz ZRWJGRWYVBLMHF-LCYFTJDESA-N 0 0 353.330 3.593 50 10 FHCARN O=C([O-])[C@@H]1Cc2c3ccccc3[nH]c2[C@H](c2c(O)ccc3ccccc32)[NH2+]1 ZINC000001896398 209391188 /nfs/dbraw/zinc/39/11/88/209391188.db2.gz CEKACLSWRGWQLZ-UWJYYQICSA-N 0 0 358.397 3.715 50 10 biogenic FHCARN COc1cc(-c2nc(CN(C)c3ccc4c(c3)OCO4)cs2)ccc1O ZINC000121435580 209355997 /nfs/dbraw/zinc/35/59/97/209355997.db2.gz NDARKWYQPSAECC-UHFFFAOYSA-N 0 0 370.430 3.889 50 10 FHCARN Cc1[n-]n(-c2ccc(C)cc2)c(=O)c1C=Nc1ccc(C)cc1[N+](=O)[O-] ZINC000100148542 209210130 /nfs/dbraw/zinc/21/01/30/209210130.db2.gz GYKCXXOHMUPLKD-WJDWOHSUSA-N 0 0 350.378 3.930 50 10 FHCARN COc1cc(/C=C2/SC(N3CCCCC3)=NC2=O)cc(Cl)c1OC ZINC000096403085 209153727 /nfs/dbraw/zinc/15/37/27/209153727.db2.gz IMSGERSHSFYUGI-GXDHUFHOSA-N 0 0 366.870 3.813 50 10 FHCARN Cc1[nH]c2ccccc2c1/C=C/c1nc2ccccc2c(=O)n1CCCO ZINC000004063656 206798926 /nfs/dbraw/zinc/79/89/26/206798926.db2.gz HBDSNIOZAKSKBK-VAWYXSNFSA-N 0 0 359.429 3.739 50 10 biogenic FHCARN O=C(c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccccc1)N2)N1CCOCC1 ZINC000000975355 206850517 /nfs/dbraw/zinc/85/05/17/206850517.db2.gz QYWQUZCAYKXECV-JQVVWYNYSA-N 0 0 360.457 3.986 50 10 FHCARN O=C1OC2(CCCC2)OC(=O)C1=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000001314467 206873428 /nfs/dbraw/zinc/87/34/28/206873428.db2.gz FTRPQUGFIYYZGP-UHFFFAOYSA-N 0 0 369.329 3.609 50 10 FHCARN O=C(CN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1ccccc1 ZINC000001312442 206873452 /nfs/dbraw/zinc/87/34/52/206873452.db2.gz VHWJUCAGHXLYGW-LCYFTJDESA-N 0 0 360.485 3.588 50 10 FHCARN O=C(c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccccc1)N2)N1CCOCC1 ZINC000004321281 207013681 /nfs/dbraw/zinc/01/36/81/207013681.db2.gz QYWQUZCAYKXECV-CNNODRBYSA-N 0 0 360.457 3.986 50 10 FHCARN CC(C)C1=NN2C(=NC(=O)/C(=C\c3ccccc3C(F)(F)F)C2=N)S1 ZINC000004593599 207030437 /nfs/dbraw/zinc/03/04/37/207030437.db2.gz OCUJFFXPEGMULR-IILAUFJGSA-N 0 0 366.368 3.981 50 10 FHCARN CCOC(=O)c1c(C)oc2nc(C3Sc4ccccc4C3=O)[nH]c(=O)c21 ZINC000006585803 207148047 /nfs/dbraw/zinc/14/80/47/207148047.db2.gz KILWZGQIYGFGCD-UHFFFAOYSA-N 0 0 370.386 3.589 50 10 FHCARN CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCC(=O)c1ccc[nH]1 ZINC000006973129 207181013 /nfs/dbraw/zinc/18/10/13/207181013.db2.gz WATQVQACIUGXQF-UHFFFAOYSA-N 0 0 369.446 3.644 50 10 FHCARN CCOc1cc(C=C2SC(NC3CCCCC3)=NC2=O)ccc1OC ZINC000007209236 207191164 /nfs/dbraw/zinc/19/11/64/207191164.db2.gz SGABWLHTOKHPBB-ATVHPVEESA-N 0 0 360.479 3.987 50 10 FHCARN C[C@H](Nc1ccc(Nc2ccccc2)cc1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000008189685 207222656 /nfs/dbraw/zinc/22/26/56/207222656.db2.gz REGNPRVOXVSCNP-HNNXBMFYSA-N 0 0 374.444 3.968 50 10 FHCARN Cc1ccccc1C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1 ZINC000008613772 207238948 /nfs/dbraw/zinc/23/89/48/207238948.db2.gz MPTQQINHLAVGMH-HXUWFJFHSA-N 0 0 352.478 3.882 50 10 FHCARN O=C1/C(=C/c2cccc(O)c2)SC(=S)N1CCOc1ccccc1 ZINC000009188775 207261613 /nfs/dbraw/zinc/26/16/13/207261613.db2.gz FXOWETCUFHDUBZ-VBKFSLOCSA-N 0 0 357.456 3.672 50 10 FHCARN CC(=O)Nc1cccc(NC=C2SC(=S)N(Cc3ccco3)C2=O)c1 ZINC000009422455 207270994 /nfs/dbraw/zinc/27/09/94/207270994.db2.gz BWYXPVGOIRCWGC-OQLLNIDSSA-N 0 0 373.459 3.552 50 10 FHCARN CC[C@@H](C)NC(=O)CSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1 ZINC000011741247 207320229 /nfs/dbraw/zinc/32/02/29/207320229.db2.gz AGUVBHYSHNYBAL-NVXWUHKLSA-N 0 0 373.522 3.736 50 10 FHCARN CC(C)(C)NC(=O)CSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1 ZINC000011641351 207316414 /nfs/dbraw/zinc/31/64/14/207316414.db2.gz LGWDYLLDAIKWDE-INIZCTEOSA-N 0 0 373.522 3.736 50 10 FHCARN CC(C)CSC1=NSC2=NC(=O)/C(=C\c3cccs3)C(=N)N12 ZINC000013123231 207451422 /nfs/dbraw/zinc/45/14/22/207451422.db2.gz OORYLEOEHIAVSW-JZSRCMMISA-N 0 0 350.494 3.714 50 10 FHCARN Nc1ccc(Oc2ccc3c(c2)C(=O)N(c2ccc4c(c2)OCO4)C3=O)cc1 ZINC000032919329 208056742 /nfs/dbraw/zinc/05/67/42/208056742.db2.gz DCXSXEWRXWWETC-UHFFFAOYSA-N 0 0 374.352 3.590 50 10 FHCARN COCC(=O)Nc1nc(-c2cc(C)n(-c3ccc(F)cc3)c2C)cs1 ZINC000058364169 208580954 /nfs/dbraw/zinc/58/09/54/208580954.db2.gz KCSGKSGKRHBBLP-UHFFFAOYSA-N 0 0 359.426 3.942 50 10 FHCARN Cc1cc(O)ccc1C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1 ZINC000095976470 209093595 /nfs/dbraw/zinc/09/35/95/209093595.db2.gz OOLRNZDCSGCWOB-HXUWFJFHSA-N 0 0 368.477 3.588 50 10 FHCARN Cc1cc(C(=O)N2CCC[C@@H](Cn3ccnc3)C2)c(C)n1-c1ccccc1 ZINC000095372612 209035839 /nfs/dbraw/zinc/03/58/39/209035839.db2.gz OIXUSUOKFCXPQA-IBGZPJMESA-N 0 0 362.477 3.843 50 10 FHCARN COc1cccc([C@@H]2NC(=O)CN2Cc2ccc(-c3ccccc3)cc2)c1O ZINC000095376603 209036805 /nfs/dbraw/zinc/03/68/05/209036805.db2.gz FSOHWNIARSCMDX-HSZRJFAPSA-N 0 0 374.440 3.698 50 10 FHCARN COc1ccc(N2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000001052239 132379718 /nfs/dbraw/zinc/37/97/18/132379718.db2.gz KDCCFIVJAWGRNZ-UHFFFAOYSA-N 0 0 364.367 3.676 50 10 FHCARN O=C1[N-]C(=S)N(c2cccc(F)c2)C(=O)C1=Cc1c[nH]c2ccccc12 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CCN1C(=O)/C(=C\c2ccc(-c3ccc(C(=O)OC)cc3)o2)SC1=S ZINC000004837439 207053598 /nfs/dbraw/zinc/05/35/98/207053598.db2.gz WYDZDMRLRNDVBI-XNTDXEJSSA-N 0 0 373.455 3.954 50 10 FHCARN O=C(Nc1c(Cl)ccc2c1C(=O)c1ccccc1C2=O)c1ccco1 ZINC000005200562 207085659 /nfs/dbraw/zinc/08/56/59/207085659.db2.gz FKMVLFMXXCARKB-UHFFFAOYSA-N 0 0 351.745 3.961 50 10 FHCARN Cc1ccc2nc(CSc3ncc(-c4ccccc4)n3C)cc(=O)n2c1 ZINC000005175048 207085783 /nfs/dbraw/zinc/08/57/83/207085783.db2.gz JQIVBKJJZUMPAF-UHFFFAOYSA-N 0 0 362.458 3.696 50 10 FHCARN O=c1c2ccc3c(c2[nH]n1CCC1=CCCCC1)C(=O)c1ccccc1C3=O ZINC000005177119 207086685 /nfs/dbraw/zinc/08/66/85/207086685.db2.gz VYEVHCWFYYUNGZ-UHFFFAOYSA-N 0 0 372.424 3.996 50 10 FHCARN COc1cc2c(cc1C=C1SC(Nc3ccccc3C)=NC1=O)OCO2 ZINC000005126671 207081301 /nfs/dbraw/zinc/08/13/01/207081301.db2.gz MBEPMPPFJDELHD-CAOOACKPSA-N 0 0 368.414 3.815 50 10 FHCARN Cc1cc(C(=O)CSc2cccc[n+]2[O-])c(C)n1-c1cccc(F)c1 ZINC000005406452 207098761 /nfs/dbraw/zinc/09/87/61/207098761.db2.gz GOWPJNVVDIEEEB-UHFFFAOYSA-N 0 0 356.422 3.842 50 10 FHCARN Cc1cc(C(=O)[C@@H](C)Sc2nnc(N)s2)c(C)n1-c1ccccc1 ZINC000005405073 207098810 /nfs/dbraw/zinc/09/88/10/207098810.db2.gz QSQJPCKTUOVZKD-GFCCVEGCSA-N 0 0 358.492 3.891 50 10 FHCARN O=c1oc2c(ccc([O-])c2C[NH2+]Cc2cccc(Cl)c2)c2c1CCC2 ZINC000006756206 207162019 /nfs/dbraw/zinc/16/20/19/207162019.db2.gz USZLHDLKJLYBMH-UHFFFAOYSA-N 0 0 355.821 3.931 50 10 FHCARN CCCCCOC(=O)CCCN1C(=O)/C(=C/c2ccco2)SC1=S ZINC000035640814 207237717 /nfs/dbraw/zinc/23/77/17/207237717.db2.gz YCWZSEVRWSSNLW-OWBHPGMISA-N 0 0 367.492 3.994 50 10 FHCARN COc1ccc(C(=O)COC(=O)c2sc3nc(C)cc(C)c3c2N)cc1 ZINC000008704785 207242676 /nfs/dbraw/zinc/24/26/76/207242676.db2.gz CUUAGCGSANRSAS-UHFFFAOYSA-N 0 0 370.430 3.544 50 10 FHCARN Cc1cc(C(=O)CN(C)Cc2ccco2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000008709506 207244049 /nfs/dbraw/zinc/24/40/49/207244049.db2.gz GRLKBGKVIFQUIA-UHFFFAOYSA-N 0 0 366.417 3.731 50 10 FHCARN COc1ccc(-n2c(C)cc(CNC(=O)NCc3ccco3)c2C)cc1 ZINC000009228675 207263058 /nfs/dbraw/zinc/26/30/58/207263058.db2.gz CHNAHSBUZHYOAC-UHFFFAOYSA-N 0 0 353.422 3.695 50 10 FHCARN COc1ccc(/C=C2\SC(=S)N(CCOc3ccccc3)C2=O)cc1 ZINC000009188354 207260654 /nfs/dbraw/zinc/26/06/54/207260654.db2.gz OIKMPCCWTBVFJD-LGMDPLHJSA-N 0 0 371.483 3.975 50 10 FHCARN CCOc1cc(C=C2SC(Nc3ccccc3O)=NC2=O)ccc1O ZINC000012338872 207362269 /nfs/dbraw/zinc/36/22/69/207362269.db2.gz VQMNURRAUQJEMN-YBEGLDIGSA-N 0 0 356.403 3.579 50 10 FHCARN COC(=O)c1ccc(/C=C2\SC(=S)N(c3cccc(O)c3)C2=O)cc1 ZINC000012562220 207394399 /nfs/dbraw/zinc/39/43/99/207394399.db2.gz AIPICNRFSJRQSY-DHDCSXOGSA-N 0 0 371.439 3.585 50 10 FHCARN CCCC(=O)n1nc(-c2ccco2)nc1NCc1ccc(N(C)C)cc1 ZINC000015669725 207558893 /nfs/dbraw/zinc/55/88/93/207558893.db2.gz ZCUCGMPWVDWMSU-UHFFFAOYSA-N 0 0 353.426 3.657 50 10 FHCARN Cc1ccc(/C=C2/C(=N)N3N=C(Cc4ccccc4)SC3=NC2=O)cc1 ZINC000017145955 207612705 /nfs/dbraw/zinc/61/27/05/207612705.db2.gz XFJQJSHUYDYQIJ-ALGNWURXSA-N 0 0 360.442 3.857 50 10 FHCARN Cc1cccc(-c2nocc2CCC(=O)NCc2ccc(N(C)C)cc2)c1 ZINC000065213442 208644342 /nfs/dbraw/zinc/64/43/42/208644342.db2.gz HOOUVRZQLNHVCR-UHFFFAOYSA-N 0 0 363.461 3.965 50 10 FHCARN Cc1cc(C(=O)N2CCC[C@H](c3nccn3C)C2)c(C)n1-c1ccccc1 ZINC000095516604 209070214 /nfs/dbraw/zinc/07/02/14/209070214.db2.gz IKBIFKPEFWWHGM-SFHVURJKSA-N 0 0 362.477 3.847 50 10 FHCARN O=C1N=C(N2CCN(c3ccc(F)cc3)CC2)S/C1=C/c1ccccc1 ZINC000004335248 132254725 /nfs/dbraw/zinc/25/47/25/132254725.db2.gz MRNGOLXFPJLTEC-NBVRZTHBSA-N 0 0 367.449 3.618 50 10 FHCARN Oc1ccc(Br)cc1CN1CCN(c2ccccc2F)CC1 ZINC000055065478 132303494 /nfs/dbraw/zinc/30/34/94/132303494.db2.gz QMYRVALMMQKCPL-UHFFFAOYSA-N 0 0 365.246 3.616 50 10 FHCARN Cc1ccccc1N1CCN(C2=NC(=O)/C(=C\c3cccs3)S2)CC1 ZINC000004486140 132823480 /nfs/dbraw/zinc/82/34/80/132823480.db2.gz ZLNIXPAFDRURKF-GHRIWEEISA-N 0 0 369.515 3.849 50 10 aggregator FHCARN CCc1cc2c(ncnc2N2CCN(c3ccc(OC)cc3)CC2)s1 ZINC000028162428 132917700 /nfs/dbraw/zinc/91/77/00/132917700.db2.gz NZZAWLJZEVCIPR-UHFFFAOYSA-N 0 0 354.479 3.589 50 10 FHCARN COc1ccc(N2CCN(Cc3ncc(-c4ccc(F)cc4)o3)CC2)cc1 ZINC000057442357 136129379 /nfs/dbraw/zinc/12/93/79/136129379.db2.gz SLLZUOJXEGXNIL-UHFFFAOYSA-N 0 0 367.424 3.812 50 10 FHCARN Cc1nc2ccccc2n1CCNC(=O)/C=C/c1ccc2c(c1)CCCN2C ZINC000061366533 136132474 /nfs/dbraw/zinc/13/24/74/136132474.db2.gz QHPSVFBTRFYEHI-ZRDIBKRKSA-N 0 0 374.488 3.557 50 10 FHCARN CCOC(=O)[C@H](C)Oc1ccc2c(c1)oc(=O)cc2-c1ccc(OC)cc1 ZINC000001170442 521216605 /nfs/dbraw/zinc/21/66/05/521216605.db2.gz OETZZXPGZYTRSU-ZDUSSCGKSA-N 0 0 368.385 3.799 50 10 biogenic FHCARN CCOC(=O)Nc1ccc2c(c1)nc1n2CCN(c2ccc(OC)cc2)C1 ZINC000002434327 535411708 /nfs/dbraw/zinc/41/17/08/535411708.db2.gz IAOCIUULYSSWBC-UHFFFAOYSA-N 0 0 366.421 3.634 50 10 FHCARN COc1ccc(N2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)cc1 ZINC000003906060 536676858 /nfs/dbraw/zinc/67/68/58/536676858.db2.gz AINIPSIOIUEFSR-UHFFFAOYSA-N 0 0 354.494 3.560 50 10 FHCARN COc1ccc(N2CCN(C(=O)CSCc3ccc(C)cc3)CC2)cc1 ZINC000002954347 536683032 /nfs/dbraw/zinc/68/30/32/536683032.db2.gz IQMPCTGLUBOTIJ-UHFFFAOYSA-N 0 0 370.518 3.586 50 10 FHCARN COc1ccc(N2COc3ccc4c(C)c(C)c(=O)oc4c3C2)cc1OC ZINC000002125052 536707412 /nfs/dbraw/zinc/70/74/12/536707412.db2.gz MAKNSKBTGJGCCK-UHFFFAOYSA-N 0 0 367.401 3.784 50 10 biogenic FHCARN Cc1ccccc1N1C(=O)/C(=C2/C(=O)Nc3ccccc32)SC1=S ZINC000001068598 570478642 /nfs/dbraw/zinc/47/86/42/570478642.db2.gz WLKOBVYXKTUTEW-PFONDFGASA-N 0 0 352.440 3.723 50 10 FHCARN CCN(CC)c1ccc(/C=C2\NC(=S)N(C3CCCCC3)C2=O)cc1 ZINC000003667645 570567450 /nfs/dbraw/zinc/56/74/50/570567450.db2.gz OOILCPJHIRDBSU-JXAWBTAJSA-N 0 0 357.523 3.923 50 10 FHCARN COc1ccc(N2CCN(c3csc4ccc(F)cc4c3=O)CC2)cc1 ZINC000005088000 570582890 /nfs/dbraw/zinc/58/28/90/570582890.db2.gz QCRABXUTTGVGLB-UHFFFAOYSA-N 0 0 370.449 3.736 50 10 FHCARN COc1ccc(N2CCN(c3cc(C)c4cccc(OC)c4n3)CC2)cc1 ZINC000004982256 570616133 /nfs/dbraw/zinc/61/61/33/570616133.db2.gz IJYCJXZKOOEHRH-UHFFFAOYSA-N 0 0 363.461 3.887 50 10 FHCARN CCc1cc(=O)oc2c1ccc1c2CN(c2ccc(OC)cc2OC)CO1 ZINC000005346433 570649569 /nfs/dbraw/zinc/64/95/69/570649569.db2.gz AYWFHYVZRCYEKX-UHFFFAOYSA-N 0 0 367.401 3.729 50 10 FHCARN CCN(CC)c1ccc([C@H]2[C@H]3CCCC[C@@]3(O)CCN2C(=O)OC)cc1 ZINC000016032472 570699448 /nfs/dbraw/zinc/69/94/48/570699448.db2.gz BAPXFDGYOLEISY-SVFBPWRDSA-N 0 0 360.498 3.967 50 10 FHCARN COC(=O)C1=C(C)NC(=O)/C1=C\c1cc(C)n(-c2cc(C)cc(C)c2)c1C ZINC000013123057 570773966 /nfs/dbraw/zinc/77/39/66/570773966.db2.gz WZVXHDOULPNNHR-ODLFYWEKSA-N 0 0 364.445 3.671 50 10 FHCARN COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(OC)c1O ZINC000013476834 570778487 /nfs/dbraw/zinc/77/84/87/570778487.db2.gz ULFLIJAGZDBSQM-XNTDXEJSSA-N 0 0 373.455 3.815 50 10 FHCARN CCOc1ccc(/C=C2\SC(N3CCC(C)CC3)=NC2=O)cc1OC ZINC000013547684 570779228 /nfs/dbraw/zinc/77/92/28/570779228.db2.gz LGUAYZMHZMNGFT-ATVHPVEESA-N 0 0 360.479 3.796 50 10 FHCARN O=C1/C(=C\c2cccc([N+](=O)[O-])c2)SC(=S)N1Cc1ccccc1 ZINC000013756906 570789360 /nfs/dbraw/zinc/78/93/60/570789360.db2.gz WNSLRPUSKLVHRV-XNTDXEJSSA-N 0 0 356.428 3.996 50 10 FHCARN CCCCOc1ccc(/C=C2/SC(N3C[C@@H](C)O[C@H](C)C3)=NC2=O)cc1 ZINC000013785592 570791083 /nfs/dbraw/zinc/79/10/83/570791083.db2.gz SQEZTFTVGCDAGK-GECXBNKPSA-N 0 0 374.506 3.945 50 10 FHCARN CCN(CC)c1ccc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)cc1 ZINC000014009320 570801405 /nfs/dbraw/zinc/80/14/05/570801405.db2.gz OUSROLHKTUOLOF-XSFVSMFZSA-N 0 0 363.461 3.934 50 10 FHCARN Oc1ccc(O)c(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2cccnc2)c1 ZINC000102907391 570841488 /nfs/dbraw/zinc/84/14/88/570841488.db2.gz MELCPNMSNQTBDF-WIYYLYMNSA-N 0 0 359.385 3.735 50 10 FHCARN O=C(CSc1nc2cc(Cl)ccc2[nH]1)Nc1ccc(Cl)cn1 ZINC000018258177 570877717 /nfs/dbraw/zinc/87/77/17/570877717.db2.gz ZFOSMFUNYTYLFI-UHFFFAOYSA-N 0 0 353.234 3.996 50 10 FHCARN COc1ccc(N2CCN(C(=O)C3(c4cccs4)CCCC3)CC2)cc1 ZINC000012069661 570888936 /nfs/dbraw/zinc/88/89/36/570888936.db2.gz SXTMIEGZJHVEGT-UHFFFAOYSA-N 0 0 370.518 3.917 50 10 FHCARN COc1cc2c(cc1OC)[C@@H](c1cc(Cl)cc(Cl)c1[O-])[NH2+]CC2 ZINC000022204761 570940991 /nfs/dbraw/zinc/94/09/91/570940991.db2.gz LKKRQAIVTCEJMN-INIZCTEOSA-N 0 0 354.233 3.951 50 10 FHCARN CN1CCN(C(=O)/C=C2\c3ccsc3SCc3ccccc32)CC1 ZINC000211138084 570968396 /nfs/dbraw/zinc/96/83/96/570968396.db2.gz SJAMKFQZOQQNKX-ATVHPVEESA-N 0 0 356.516 3.560 50 10 FHCARN Cc1oc(-c2ccccc2)nc1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000084052384 571067523 /nfs/dbraw/zinc/06/75/23/571067523.db2.gz RQSKBTRCEQFSAX-UHFFFAOYSA-N 0 0 353.397 3.785 50 10 FHCARN COc1cc2c(cc1OC)/C(=C/C=C/c1ccc(N(C)C)cc1)C(=O)N2 ZINC000055175305 571117522 /nfs/dbraw/zinc/11/75/22/571117522.db2.gz MNVANJSTPUUGCD-CLASBSCUSA-N 0 0 350.418 3.819 50 10 FHCARN COc1ccc(-c2nc(COc3cccnc3N)c(C)o2)c(OC)c1C ZINC000067967697 571152472 /nfs/dbraw/zinc/15/24/72/571152472.db2.gz OJLRVJKLFHYSJH-UHFFFAOYSA-N 0 0 355.394 3.532 50 10 FHCARN CSc1nc2n(n1)[C@H](c1ccccc1)C[C@H](c1cc(F)ccc1O)N2 ZINC000000638096 571166209 /nfs/dbraw/zinc/16/62/09/571166209.db2.gz IGEMSHSUQJORDT-CABCVRRESA-N 0 0 356.426 3.991 50 10 FHCARN Cc1cc(C(=O)N[C@@H]2CCOC3(CCOCC3)C2)c(C)n1-c1ccccc1 ZINC000077357141 571209103 /nfs/dbraw/zinc/20/91/03/571209103.db2.gz SXMAIISKXLRLLY-GOSISDBHSA-N 0 0 368.477 3.552 50 10 FHCARN O=C1OC2(CCCCC2)OC(=O)C1=CNc1cccc(C(F)(F)F)c1 ZINC000023127166 571217411 /nfs/dbraw/zinc/21/74/11/571217411.db2.gz CKIMRNWTNJAWHY-UHFFFAOYSA-N 0 0 355.312 3.762 50 10 FHCARN CCCCCCN1C(=O)C(=Cc2cn(C)c3ccccc23)C(=O)NC1=S ZINC000006782989 571246263 /nfs/dbraw/zinc/24/62/63/571246263.db2.gz VRXGUEWXBVYKFV-VBKFSLOCSA-N 0 0 369.490 3.797 50 10 FHCARN O=C1N=C(N2CCCCC2)S/C1=C/c1cnc(-c2ccccc2)nc1 ZINC000065487652 571263847 /nfs/dbraw/zinc/26/38/47/571263847.db2.gz NFCWHCKDGOBOOG-LFIBNONCSA-N 0 0 350.447 3.600 50 10 FHCARN O=C1/C(=C/c2cnn(-c3ccccc3)c2)SC(=S)N1c1cccnc1 ZINC000007367250 571264932 /nfs/dbraw/zinc/26/49/32/571264932.db2.gz QVKAEVVRHPKAGP-SXGWCWSVSA-N 0 0 364.455 3.673 50 10 FHCARN O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc([N+](=O)[O-])cc1 ZINC000005668655 571271160 /nfs/dbraw/zinc/27/11/60/571271160.db2.gz 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ZINC000001074382 219365242 /nfs/dbraw/zinc/36/52/42/219365242.db2.gz UHZZZHBSUPACER-RGEXLXHISA-N 0 0 365.404 3.741 50 10 FHCARN COc1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)cc(Cl)c1O ZINC000001112158 219371287 /nfs/dbraw/zinc/37/12/87/219371287.db2.gz BOYDPHFTSCSJLS-SDQBBNPISA-N 0 0 357.884 3.911 50 10 FHCARN Cc1cc(C(=O)OCC(=O)N[C@H]2CCCC[C@H]2C)c(C)n1-c1ccccc1 ZINC000005622755 209446069 /nfs/dbraw/zinc/44/60/69/209446069.db2.gz GQMMHDKWHIQSNG-QRWLVFNGSA-N 0 0 368.477 3.946 50 10 FHCARN Cc1ccc(C)n1-c1ccc(C(=O)OCC(=O)N2CCCC[C@H]2C)cc1 ZINC000004541462 209422512 /nfs/dbraw/zinc/42/25/12/209422512.db2.gz PYHHYIIVPDKZTA-OAHLLOKOSA-N 0 0 354.450 3.652 50 10 FHCARN CN(C)c1ccc(/C=C2/SC(=O)N(CNc3cccc(F)c3)C2=O)cc1 ZINC000003067935 209401468 /nfs/dbraw/zinc/40/14/68/209401468.db2.gz FDFDFQGLYRAEBQ-LICLKQGHSA-N 0 0 371.437 3.998 50 10 FHCARN COc1ccc(OC(F)F)c(NC(=O)NCc2ccc(N(C)C)cc2)c1 ZINC000047921940 209329066 /nfs/dbraw/zinc/32/90/66/209329066.db2.gz MAHUGAGGKRXZKM-UHFFFAOYSA-N 0 0 365.380 3.684 50 10 FHCARN Cc1cc(C(=O)CSc2nnc(N)s2)c(C)n1-c1cccc(C)c1 ZINC000046882331 209328241 /nfs/dbraw/zinc/32/82/41/209328241.db2.gz SBYLWLQUSANBDP-UHFFFAOYSA-N 0 0 358.492 3.811 50 10 FHCARN CCOC(=O)CSc1ncc(-c2ccc(Br)cc2)n1C ZINC000044085249 209313187 /nfs/dbraw/zinc/31/31/87/209313187.db2.gz DSMOUHVOBHAHRX-UHFFFAOYSA-N 0 0 355.257 3.505 50 10 FHCARN CCCC1=NN(c2ccc(OC)cc2)C(=O)C1=C(C)NCc1cccnc1 ZINC000100423213 209213555 /nfs/dbraw/zinc/21/35/55/209213555.db2.gz OZQAQDACWUBDLE-HKWRFOASSA-N 0 0 364.449 3.657 50 10 FHCARN CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=CN[C@H](C)c1ccccc1 ZINC000100095295 209209201 /nfs/dbraw/zinc/20/92/01/209209201.db2.gz PSQAVLOPIGPCQA-RNEAKCBISA-N 0 0 350.378 3.552 50 10 FHCARN Cc1ccc(C2=NN3C(=NC(=O)/C(=C\c4ccc(F)cc4)C3=N)S2)cc1 ZINC000001177037 206865250 /nfs/dbraw/zinc/86/52/50/206865250.db2.gz MTAWJAAOIZCAMC-ACXWOISZSA-N 0 0 364.405 3.802 50 10 FHCARN COc1ccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1O ZINC000001195492 206867102 /nfs/dbraw/zinc/86/71/02/206867102.db2.gz 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CSC1=NSC2=NC(=O)/C(=C\c3ccc(-c4ccccc4)o3)C(=N)N12 ZINC000004825831 207052900 /nfs/dbraw/zinc/05/29/00/207052900.db2.gz QBHXGZHMFSBNKH-LITBSJMGSA-N 0 0 368.443 3.886 50 10 FHCARN Cc1ccc(S(=O)(=O)Nc2ccc(O)c3ccccc23)cc1[N+](=O)[O-] ZINC000004884949 207058158 /nfs/dbraw/zinc/05/81/58/207058158.db2.gz QNCWCZOZZJDSSO-UHFFFAOYSA-N 0 0 358.375 3.563 50 10 FHCARN Cn1c(-c2ccccc2)cnc1SCC(=O)Nc1ccc(Cl)cn1 ZINC000005175033 207085700 /nfs/dbraw/zinc/08/57/00/207085700.db2.gz NFJCGCIWJPWHRW-UHFFFAOYSA-N 0 0 358.854 3.866 50 10 FHCARN CC(C)CNc1cc(NC(C)C)c2c(c1N)C(=O)c1ccccc1C2=O ZINC000005451748 207100723 /nfs/dbraw/zinc/10/07/23/207100723.db2.gz BDBRYWFZWWGXPC-UHFFFAOYSA-N 0 0 351.450 3.932 50 10 FHCARN COc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)cc1 ZINC000006747921 207159756 /nfs/dbraw/zinc/15/97/56/207159756.db2.gz NDVZQZBFJUGCJN-OAQYLSRUSA-N 0 0 368.477 3.583 50 10 FHCARN CCOc1cc(/C=C2\SC(N3CCCCC3)=NC2=O)cc(Cl)c1O ZINC000007701157 207203163 /nfs/dbraw/zinc/20/31/63/207203163.db2.gz 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/nfs/dbraw/zinc/38/46/28/209384628.db2.gz XGSWLLJWMZYEFD-UHFFFAOYSA-N 0 0 356.241 3.572 50 10 FHCARN Cc1ccc(C)c(S(=O)(=O)N[C@H](C)c2ccc(N3CCCC3)cc2)c1 ZINC000065362426 208665864 /nfs/dbraw/zinc/66/58/64/208665864.db2.gz QTAJNNGZAGWZCC-QGZVFWFLSA-N 0 0 358.507 3.943 50 10 FHCARN Cc1cc(C(=O)N2CCC[C@H](Cn3ccnc3)C2)c(C)n1-c1ccccc1 ZINC000095372611 209035367 /nfs/dbraw/zinc/03/53/67/209035367.db2.gz OIXUSUOKFCXPQA-LJQANCHMSA-N 0 0 362.477 3.843 50 10 FHCARN CSc1cnc(NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)nc1 ZINC000225817888 132286974 /nfs/dbraw/zinc/28/69/74/132286974.db2.gz SHQOBYCZNDCHQV-STQMWFEESA-N 0 0 362.474 3.563 50 10 FHCARN CCc1ccc(N2C(=O)/C(=C/c3ccc(C)s3)C(=O)N(C)C2=S)cc1 ZINC000001185153 132380878 /nfs/dbraw/zinc/38/08/78/132380878.db2.gz DAFDNOXRYZMKSV-LFIBNONCSA-N 0 0 370.499 3.792 50 10 FHCARN Cc1cc(C=O)c(C)n1-c1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000003201793 132384954 /nfs/dbraw/zinc/38/49/54/132384954.db2.gz LIYXAVDGIFOWRC-UHFFFAOYSA-N 0 0 352.356 3.762 50 10 FHCARN O=C(NCc1ccc(N2CCOCC2)cc1)C1(c2ccccc2)CCCC1 ZINC000071384579 136139065 /nfs/dbraw/zinc/13/90/65/136139065.db2.gz GOWLCUBZJCXJFI-UHFFFAOYSA-N 0 0 364.489 3.651 50 10 FHCARN NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1)N2 ZINC000226709005 527320128 /nfs/dbraw/zinc/32/01/28/527320128.db2.gz CUZXCBZZPAOACN-RVKKMQEKSA-N 0 0 360.866 3.814 50 10 FHCARN COc1ccc(/C=C2/SC(=S)N(c3ccc(F)cc3)C2=O)cc1O ZINC000001131387 570482953 /nfs/dbraw/zinc/48/29/53/570482953.db2.gz AIMNWXCZYHIMQY-OQLLNIDSSA-N 0 0 361.419 3.946 50 10 FHCARN Cc1ccc(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)o1 ZINC000001159384 570485644 /nfs/dbraw/zinc/48/56/44/570485644.db2.gz NGBNICPSGFREJX-CHHVJCJISA-N 0 0 359.428 3.718 50 10 FHCARN C[C@H](c1ccccc1)N1C(=O)/C(=C2/C(=O)Nc3ccccc32)SC1=S ZINC000001438806 570499852 /nfs/dbraw/zinc/49/98/52/570499852.db2.gz IPOXBCRVRIBMPM-YZSSSTSJSA-N 0 0 366.467 3.971 50 10 FHCARN Cc1ccc(C(=O)NN2C(=O)/C(=C/c3ccccc3)SC2=S)cc1 ZINC000001504708 570501380 /nfs/dbraw/zinc/50/13/80/570501380.db2.gz 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570838700 /nfs/dbraw/zinc/83/87/00/570838700.db2.gz IGJNPWYFMGZTIF-UHFFFAOYSA-N 0 0 358.401 3.555 50 10 FHCARN O=C1NC(=S)N(Cc2ccc(F)cc2)C(=O)C1=CC=Cc1ccco1 ZINC000016944399 570863677 /nfs/dbraw/zinc/86/36/77/570863677.db2.gz RGMJOBQRVNCCSE-JPAWQYAOSA-N 0 0 356.378 3.642 50 10 FHCARN O=C(c1ccccc1)c1ccc(C2=NC(=C3CCCCCN3)C(=O)O2)cc1 ZINC000105291293 570870405 /nfs/dbraw/zinc/87/04/05/570870405.db2.gz QZNGXKXYJKVQCQ-HNENSFHCSA-N 0 0 360.413 3.596 50 10 FHCARN CCOC(=O)c1sc2nc3c(c(-c4cccs4)c2c1N)CN(C)CC3 ZINC000019816445 570903838 /nfs/dbraw/zinc/90/38/38/570903838.db2.gz OXDWHZRIHMZZCB-UHFFFAOYSA-N 0 0 373.503 3.772 50 10 FHCARN CCn1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)c(C)n1 ZINC000020606676 570921380 /nfs/dbraw/zinc/92/13/80/570921380.db2.gz WBOGIGQQNVUMCR-WJDWOHSUSA-N 0 0 357.504 3.655 50 10 FHCARN CCOC(=O)Nc1ccc(NC(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC000047946841 570932907 /nfs/dbraw/zinc/93/29/07/570932907.db2.gz MMCOCCKAFYZVRV-UHFFFAOYSA-N 0 0 356.426 3.643 50 10 FHCARN COc1ccc(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c(O)c1 ZINC000010961890 570985901 /nfs/dbraw/zinc/98/59/01/570985901.db2.gz XYRSGWXSACEJED-UHFFFAOYSA-N 0 0 354.450 3.663 50 10 FHCARN Cc1cc(C)n(-c2ccc(C(=O)NCc3ccc(N(C)C)c(F)c3)cc2)n1 ZINC000060214331 570996956 /nfs/dbraw/zinc/99/69/56/570996956.db2.gz YFGKUDSETUXSLS-UHFFFAOYSA-N 0 0 366.440 3.624 50 10 FHCARN CN(C)c1ccc(CNC(=O)c2cccc(OCc3cscn3)c2)cc1 ZINC000012808399 571111514 /nfs/dbraw/zinc/11/15/14/571111514.db2.gz RLECCJLSNJQFBX-UHFFFAOYSA-N 0 0 367.474 3.718 50 10 FHCARN CCC(=O)N1N=C(c2ccc(OC)cc2)C[C@H]1c1ccc(N(C)C)cc1 ZINC000058196748 571128356 /nfs/dbraw/zinc/12/83/56/571128356.db2.gz MYJHZAKTZSKYIR-FQEVSTJZSA-N 0 0 351.450 3.849 50 10 FHCARN COc1ccc(NC(=O)CSc2ncc(-c3ccccc3)n2C)cc1 ZINC000000897380 571129527 /nfs/dbraw/zinc/12/95/27/571129527.db2.gz QFOZPGPZRMZSNI-UHFFFAOYSA-N 0 0 353.447 3.827 50 10 FHCARN COc1ccc(Br)cc1/C=C1/SC(N2CCCC2)=NC1=O ZINC000001025190 571143951 /nfs/dbraw/zinc/14/39/51/571143951.db2.gz HYRXZHYFHQWNJH-UKTHLTGXSA-N 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FHCARN COc1ccc(N2CCN(C(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)cc1 ZINC000005321410 132828037 /nfs/dbraw/zinc/82/80/37/132828037.db2.gz ILKFHVZOZCLOKQ-UHFFFAOYSA-N 0 0 369.852 3.792 50 10 FHCARN Cc1c2cc(F)ccc2n(C)c1C(=O)N1CC[C@H](Oc2ccccc2)C1 ZINC000426677748 263655107 /nfs/dbraw/zinc/65/51/07/263655107.db2.gz AXJXZZXGJCLNRQ-KRWDZBQOSA-N 0 0 352.409 3.919 50 10 FHCARN Cc1ccc(-c2ncc(C(=O)NCc3ccc(N(C)C)cc3)c(C)n2)cc1 ZINC000075437243 518188148 /nfs/dbraw/zinc/18/81/48/518188148.db2.gz ZSJHNNMOPHCEBL-UHFFFAOYSA-N 0 0 360.461 3.756 50 10 FHCARN Cc1cc(C(=O)OCc2ncc(Cl)n2C)c(C)n1-c1ccccc1F ZINC000089580042 524195904 /nfs/dbraw/zinc/19/59/04/524195904.db2.gz VQRBUWLTFQUOOC-UHFFFAOYSA-N 0 0 361.804 3.977 50 10 FHCARN COc1ccc(N2CCN(c3ncnc4sc(C)c(C)c43)CC2)cc1 ZINC000001803379 536704035 /nfs/dbraw/zinc/70/40/35/536704035.db2.gz IOVLULIBJHNJDH-UHFFFAOYSA-N 0 0 354.479 3.643 50 10 FHCARN COc1ccc(N(CCC(N)=O)Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000024716982 568027984 /nfs/dbraw/zinc/02/79/84/568027984.db2.gz 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ZINC000006967643 570657610 /nfs/dbraw/zinc/65/76/10/570657610.db2.gz VMJJMTZXESCEPG-UHFFFAOYSA-N 0 0 365.260 3.964 50 10 FHCARN CCCOC(=O)[C@@H](C(C)C)N1C(=O)/C(=C\c2ccccc2)SC1=S ZINC000005468699 570659802 /nfs/dbraw/zinc/65/98/02/570659802.db2.gz AKPODHUXNIKXFM-ATGUSINASA-N 0 0 363.504 3.866 50 10 FHCARN CCN(CC)c1ccc([C@H]2[C@@H]3CCCC[C@@]3(O)CCN2C(=O)OC)cc1 ZINC000016032470 570699471 /nfs/dbraw/zinc/69/94/71/570699471.db2.gz BAPXFDGYOLEISY-IRFCIJBXSA-N 0 0 360.498 3.967 50 10 FHCARN COc1ccc(/C=C2\SC(N3CCc4ccccc4C3)=NC2=O)cc1 ZINC000013496621 570778196 /nfs/dbraw/zinc/77/81/96/570778196.db2.gz OPGZNFXYCJZVTR-PDGQHHTCSA-N 0 0 350.443 3.724 50 10 FHCARN COc1ccc(OC)c(/C=C2\SC(=S)N(c3cccc(O)c3)C2=O)c1 ZINC000013712895 570786040 /nfs/dbraw/zinc/78/60/40/570786040.db2.gz UIARITWVFOYUDG-SXGWCWSVSA-N 0 0 373.455 3.815 50 10 FHCARN Cc1cc(C(=O)N2CCN(c3ccccn3)CC2)c(C)n1-c1ccccc1C ZINC000014065942 570803115 /nfs/dbraw/zinc/80/31/15/570803115.db2.gz QNJWOQQLHRKVDH-UHFFFAOYSA-N 0 0 374.488 3.760 50 10 FHCARN CN(C)c1ccc(-c2nc(-c3ccc(NS(C)(=O)=O)cc3)cs2)cc1 ZINC000016941229 570863322 /nfs/dbraw/zinc/86/33/22/570863322.db2.gz AYNJMHAVMNIOLQ-UHFFFAOYSA-N 0 0 373.503 3.915 50 10 FHCARN CN(C)c1ccc(CNC(=O)c2cccnc2Nc2cccc(F)c2)cc1 ZINC000044945035 570903256 /nfs/dbraw/zinc/90/32/56/570903256.db2.gz VZAKDARMNPZOGA-UHFFFAOYSA-N 0 0 364.424 3.960 50 10 FHCARN COc1ccc2c(C)cc(SCC(=O)c3ccc(O)c(O)c3)nc2c1 ZINC000022636444 570948402 /nfs/dbraw/zinc/94/84/02/570948402.db2.gz HLNAQXJNRPJKOH-UHFFFAOYSA-N 0 0 355.415 3.938 50 10 FHCARN CC(=O)c1ccc(N2CCN(Cc3cc4c(cc3O)CCC4)CC2)c(F)c1 ZINC000008747217 571059009 /nfs/dbraw/zinc/05/90/09/571059009.db2.gz GZDAZZHIKVVXQD-UHFFFAOYSA-N 0 0 368.452 3.545 50 10 FHCARN O=C(CN1CCCCC1)N1N=C(c2cccs2)C[C@H]1c1ccccc1O ZINC000009260793 571102791 /nfs/dbraw/zinc/10/27/91/571102791.db2.gz YPRREHDYPRBWBZ-KRWDZBQOSA-N 0 0 369.490 3.617 50 10 FHCARN COC(=O)C1=C(C)N(c2ccccc2F)C(=O)/C1=C\c1cccc(OC)c1 ZINC000000897985 571129504 /nfs/dbraw/zinc/12/95/04/571129504.db2.gz 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571183964 /nfs/dbraw/zinc/18/39/64/571183964.db2.gz OMFVTXRDIKXPIB-YBEGLDIGSA-N 0 0 358.488 3.982 50 10 FHCARN Cc1cc(C(=O)Nc2ccc(OCCO)cc2)c(C)n1-c1ccccc1 ZINC000089580013 571212661 /nfs/dbraw/zinc/21/26/61/571212661.db2.gz XXPYAZUJUPEYJA-UHFFFAOYSA-N 0 0 350.418 3.718 50 10 FHCARN Cc1cc(C(=O)OCC(=O)N2C[C@H](C)C[C@H](C)C2)c(C)n1-c1ccccc1 ZINC000013213476 571263946 /nfs/dbraw/zinc/26/39/46/571263946.db2.gz NYNXSGRLDWCVJL-IYBDPMFKSA-N 0 0 368.477 3.755 50 10 FHCARN COc1ccc(C=C2C(=O)NC(=S)N(C3CCCCC3)C2=O)cc1OC ZINC000017086574 571274924 /nfs/dbraw/zinc/27/49/24/571274924.db2.gz OTBQPMOXEYNZDA-UVTDQMKNSA-N 0 0 374.462 3.504 50 10 FHCARN COCCn1c(C)cc(/C=C2\NC(=O)N(c3ccc(Cl)cc3)C2=O)c1C ZINC000002144178 571280690 /nfs/dbraw/zinc/28/06/90/571280690.db2.gz KVAXACMZGUTIIU-BOPFTXTBSA-N 0 0 373.840 3.502 50 10 FHCARN C[NH+](C)Cc1c([O-])ccc2c(=O)c(-c3ccc(Br)cc3)coc21 ZINC000020358282 571328878 /nfs/dbraw/zinc/32/88/78/571328878.db2.gz UCXQHTRZQYYKTM-UHFFFAOYSA-N 0 0 374.234 3.990 50 10 FHCARN COc1cccc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)c1O ZINC000002916227 571341687 /nfs/dbraw/zinc/34/16/87/571341687.db2.gz ZUAQHEXCWGLCJW-XNTDXEJSSA-N 0 0 357.456 3.802 50 10 FHCARN COC(=O)C1=C(C)N(c2ccccc2F)C(=O)/C1=C\c1ccccc1F ZINC000000631784 210252768 /nfs/dbraw/zinc/25/27/68/210252768.db2.gz RYUDMUABHUAMRI-KAMYIIQDSA-N 0 0 355.340 3.842 50 10 FHCARN CCOc1ccc(C=C2SC(Nc3cccnc3)=NC2=O)cc1OC ZINC000009274045 210251630 /nfs/dbraw/zinc/25/16/30/210251630.db2.gz IYFQHPSIBCKXQP-YBEGLDIGSA-N 0 0 355.419 3.571 50 10 FHCARN Cc1cc(/C=C2\NC(=O)N(Cc3ccccc3F)C2=O)c(C)n1C(C)C ZINC000000663721 219310410 /nfs/dbraw/zinc/31/04/10/219310410.db2.gz TVUIUIDGJVCFFG-ZDLGFXPLSA-N 0 0 355.413 3.918 50 10 FHCARN COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)C(=O)/C1=C\c1ccc(O)cc1 ZINC000001163660 219384240 /nfs/dbraw/zinc/38/42/40/219384240.db2.gz BFTSHPAAKSQSAX-UNOMPAQXSA-N 0 0 363.413 3.886 50 10 FHCARN COc1ccc(N2C(=O)/C(=C\c3ccc([N+](=O)[O-])o3)SC2=S)cc1 ZINC000005249226 219665515 /nfs/dbraw/zinc/66/55/15/219665515.db2.gz 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211272502 /nfs/dbraw/zinc/27/25/02/211272502.db2.gz SZSIBHXUJZJFDN-WYWZIVHKSA-N 0 0 360.417 3.853 50 10 FHCARN CC(NCCCOC(C)C)=C1C(C)=NN(c2nc3ccccc3s2)C1=O ZINC000018254468 211194888 /nfs/dbraw/zinc/19/48/88/211194888.db2.gz MCEMFLIFEBHVOS-GHRIWEEISA-N 0 0 372.494 3.698 50 10 FHCARN CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)ccc1OC(C)=O ZINC000015658958 211134035 /nfs/dbraw/zinc/13/40/35/211134035.db2.gz PRIQTDUJJVETOS-PDGQHHTCSA-N 0 0 364.401 3.817 50 10 FHCARN Cc1cc(C=C2SC(=S)NC2=O)c(C)n1-c1ccc(N(C)C)cc1 ZINC000015218822 211126086 /nfs/dbraw/zinc/12/60/86/211126086.db2.gz ISCHQYHWLATBOZ-YBEGLDIGSA-N 0 0 357.504 3.649 50 10 FHCARN CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1cccc(O)c1 ZINC000013616131 211044823 /nfs/dbraw/zinc/04/48/23/211044823.db2.gz YTWJTCLKXJYWLG-UYRXBGFRSA-N 0 0 363.413 3.968 50 10 FHCARN O=C1N=C(N2CCCCC2)S/C1=C\c1ccc(Br)cc1 ZINC000013108149 211025367 /nfs/dbraw/zinc/02/53/67/211025367.db2.gz QPDCUEASNOXEPJ-RAXLEYEMSA-N 0 0 351.269 3.905 50 10 FHCARN COc1ccc(/C=C2/C(C)=NN(c3ccc(C)cc3)C2=O)cc1OC(C)=O ZINC000008569877 210791924 /nfs/dbraw/zinc/79/19/24/210791924.db2.gz CTKYAQCIVXVNPU-WQRHYEAKSA-N 0 0 364.401 3.735 50 10 FHCARN C[C@H]1Oc2ccccc2C=C1/C=C1\SC(=S)N(C[C@@H]2CCCO2)C1=O ZINC000005880949 210646046 /nfs/dbraw/zinc/64/60/46/210646046.db2.gz FFYFMWLSSWIMSP-QDDWEHSPSA-N 0 0 373.499 3.774 50 10 FHCARN Cc1ccccc1NC(=O)CCN1C(=O)/C(=C\c2ccco2)SC1=S ZINC000004745442 210560117 /nfs/dbraw/zinc/56/01/17/210560117.db2.gz WPOOMINXEZSLEF-RVDMUPIBSA-N 0 0 372.471 3.818 50 10 FHCARN O=C1/C(=C\C=C\c2ccco2)SC(=S)N1c1ccc2c(c1)OCO2 ZINC000002447756 210399919 /nfs/dbraw/zinc/39/99/19/210399919.db2.gz JCSNFRVGQBINAK-FFBKCXOWSA-N 0 0 357.412 3.970 50 10 FHCARN CN(C)c1ccc(/C=C2\N=C(c3ccccc3Br)OC2=O)cc1 ZINC000001512280 210357763 /nfs/dbraw/zinc/35/77/63/210357763.db2.gz ARRSOBZGQOPWII-WJDWOHSUSA-N 0 0 371.234 3.860 50 10 FHCARN O=C1c2ccccc2C(=O)C1(Nc1ccc2c(c1)OCCO2)c1ccccc1 ZINC000001430514 210353546 /nfs/dbraw/zinc/35/35/46/210353546.db2.gz GRKTWNGDQUGRCO-UHFFFAOYSA-N 0 0 371.392 3.844 50 10 FHCARN Cc1oc2c(c1C(=O)N1CCc3ccccc3C1)C(=O)c1ccccc1C2=O ZINC000001236042 210338789 /nfs/dbraw/zinc/33/87/89/210338789.db2.gz OIPWEXSSNRDHMQ-UHFFFAOYSA-N 0 0 371.392 3.562 50 10 FHCARN CCC(=O)N[C@H](c1ccc(OC)c(OC)c1)c1ccc2cccnc2c1O ZINC000001197088 210333526 /nfs/dbraw/zinc/33/35/26/210333526.db2.gz QNPSQPFPEUYCEM-LJQANCHMSA-N 0 0 366.417 3.573 50 10 biogenic FHCARN COc1ccc2c(c1)C1=NN(C(C)=O)[C@H](c3ccc(N(C)C)cc3)[C@H]1CC2 ZINC000000984342 210296710 /nfs/dbraw/zinc/29/67/10/210296710.db2.gz DSMFEJUJISYLBI-SIKLNZKXSA-N 0 0 363.461 3.631 50 10 FHCARN O=C1N=C(N2CCCCC2)S/C1=C/c1cnn(-c2ccc(Cl)cc2)c1 ZINC000044025602 220951021 /nfs/dbraw/zinc/95/10/21/220951021.db2.gz DFQMYHBOZBUNLZ-MHWRWJLKSA-N 0 0 372.881 3.982 50 10 FHCARN Cc1cc(C)cc(NC(=O)C2=C3CCCN3c3ccccc3S2(=O)=O)c1 ZINC000065239786 221184348 /nfs/dbraw/zinc/18/43/48/221184348.db2.gz UVGIYHYDPBGYIG-UHFFFAOYSA-N 0 0 368.458 3.541 50 10 FHCARN CCc1nnc(CSc2ncc(-c3ccc4c(c3)OCCO4)n2CC)o1 ZINC000065504266 221228699 /nfs/dbraw/zinc/22/86/99/221228699.db2.gz VRTFNQASBOTWNT-UHFFFAOYSA-N 0 0 372.450 3.579 50 10 FHCARN Cc1c(C)c(=O)oc2c1ccc1c2CN(c2ccc3c(c2)OCCO3)CO1 ZINC000002118169 132382547 /nfs/dbraw/zinc/38/25/47/132382547.db2.gz LAPWAPOXKSFHTB-UHFFFAOYSA-N 0 0 365.385 3.538 50 10 biogenic FHCARN COc1ccc(N2CCN(c3cc(O)c4ccccc4c3O)CC2)cc1 ZINC000002657868 132383931 /nfs/dbraw/zinc/38/39/31/132383931.db2.gz BKYZKUZPDCCOSI-UHFFFAOYSA-N 0 0 350.418 3.586 50 10 FHCARN Nc1ccc(N2CCN(C(=O)c3ccccc3-c3ccccc3)CC2)cc1 ZINC000012376983 132856277 /nfs/dbraw/zinc/85/62/77/132856277.db2.gz VLLUZZCGCKTPOQ-UHFFFAOYSA-N 0 0 357.457 3.898 50 10 FHCARN COc1ccc(N2CCN([C@H](C)c3nnc(-c4cccs4)o3)CC2)cc1 ZINC000057442351 136129426 /nfs/dbraw/zinc/12/94/26/136129426.db2.gz OBMVDEHEOTTWPS-CQSZACIVSA-N 0 0 370.478 3.690 50 10 FHCARN CCCOc1cc(C=C2SC(NC3CCCC3)=NC2=O)ccc1OC ZINC000096121210 222033466 /nfs/dbraw/zinc/03/34/66/222033466.db2.gz SIHSXSLYILVZIA-SFQUDFHCSA-N 0 0 360.479 3.987 50 10 FHCARN COc1cc(C=C2SC(NC3CCCC3)=NC2=O)cc(Cl)c1OC ZINC000096121208 222033740 /nfs/dbraw/zinc/03/37/40/222033740.db2.gz YBFQHNIESVGEDA-NTEUORMPSA-N 0 0 366.870 3.860 50 10 FHCARN CC[C@@H](C)N1C(=O)C(=CNc2ccc(OC)cc2OC)SC1=S ZINC000101486650 222276131 /nfs/dbraw/zinc/27/61/31/222276131.db2.gz UZRAIUXLRFHPHV-GMROUXNLSA-N 0 0 352.481 3.616 50 10 FHCARN CCc1ccccc1NC(=O)N/C=C1\C(=O)N(c2ccc(C)cc2)N=C1C ZINC000102516052 222298081 /nfs/dbraw/zinc/29/80/81/222298081.db2.gz YULZFSSFJDFHBR-AQTBWJFISA-N 0 0 362.433 3.986 50 10 FHCARN Cc1cc(C(=O)Oc2ccc3c(c2)CCC(=O)N3)c(C)n1-c1ccccn1 ZINC000089580078 524199109 /nfs/dbraw/zinc/19/91/09/524199109.db2.gz NWDQVKQWWVTEPC-UHFFFAOYSA-N 0 0 361.401 3.593 50 10 FHCARN COc1ccc(N2CCN(C(=O)Nc3c[nH]c4ccccc34)CC2)cc1 ZINC000005265493 536686071 /nfs/dbraw/zinc/68/60/71/536686071.db2.gz LVXSWPXAUCCIFB-UHFFFAOYSA-N 0 0 350.422 3.531 50 10 FHCARN CCn1c(SCC(=O)c2ccc(O)c(O)c2)nnc1-c1cccc(C)c1 ZINC000001272770 570497028 /nfs/dbraw/zinc/49/70/28/570497028.db2.gz NBEOGSYAHBRNRD-UHFFFAOYSA-N 0 0 369.446 3.660 50 10 FHCARN CCCOc1ccccc1/C=C1/SC(N2C[C@H](C)O[C@@H](C)C2)=NC1=O ZINC000003904260 570571449 /nfs/dbraw/zinc/57/14/49/570571449.db2.gz SDNHXAQJWCGRNO-JUACWREWSA-N 0 0 360.479 3.555 50 10 FHCARN CC(=C\c1cc(Br)ccc1O)/C=C1/SC(=S)N(C)C1=O ZINC000004918128 570614044 /nfs/dbraw/zinc/61/40/44/570614044.db2.gz VPMRXTATLAISFG-TUXZCDOTSA-N 0 0 370.293 3.932 50 10 FHCARN O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)C(Cl)(Cl)Cl ZINC000005094715 570621248 /nfs/dbraw/zinc/62/12/48/570621248.db2.gz ROQNKYFCEHBUIO-UHFFFAOYSA-N 0 0 368.603 3.771 50 10 FHCARN O=C(Nc1cc2c(cc1Cl)C(=O)c1ccccc1C2=O)c1ccco1 ZINC000005200558 570632854 /nfs/dbraw/zinc/63/28/54/570632854.db2.gz CFALZSYZCDLOPX-UHFFFAOYSA-N 0 0 351.745 3.961 50 10 FHCARN CCOc1cc2c(cc1C=C1SC(NC3CCCC3)=NC1=O)O[C@H](C)C2 ZINC000084805179 570636590 /nfs/dbraw/zinc/63/65/90/570636590.db2.gz YKEKVGXSSQILMQ-MBNTZHJCSA-N 0 0 372.490 3.911 50 10 FHCARN CN1C(=O)/C(=C/c2ccccc2OCCOc2ccccc2)SC1=S ZINC000004508789 570807073 /nfs/dbraw/zinc/80/70/73/570807073.db2.gz IYVWRHLMXXTBGO-LGMDPLHJSA-N 0 0 371.483 3.975 50 10 FHCARN Cc1ccc(C)n1-c1ccc(C(=O)OCC(=O)N2CCCC[C@@H]2C)cc1 ZINC000004541461 570821323 /nfs/dbraw/zinc/82/13/23/570821323.db2.gz PYHHYIIVPDKZTA-HNNXBMFYSA-N 0 0 354.450 3.652 50 10 FHCARN CN(C)c1ccc(CNC(=O)c2cc(F)cc(Br)c2)cc1 ZINC000032930050 570870675 /nfs/dbraw/zinc/87/06/75/570870675.db2.gz ZQSPGGNPWFDYCZ-UHFFFAOYSA-N 0 0 351.219 3.584 50 10 FHCARN CCOC(=O)/C=C/c1ccc(NC(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC000048065813 570934204 /nfs/dbraw/zinc/93/42/04/570934204.db2.gz BHUXBHOPUNZEHP-NTEUORMPSA-N 0 0 367.449 3.651 50 10 FHCARN COc1ccc(N2C(=O)/C(=C\c3cccnc3)SC2=S)c(OC)c1 ZINC000011024191 571020561 /nfs/dbraw/zinc/02/05/61/571020561.db2.gz AHZJICBBFXOBHD-OVCLIPMQSA-N 0 0 358.444 3.505 50 10 FHCARN N=C1/C(=C/c2ccco2)C(=O)N=C2SN=C(SCc3ccccc3)N21 ZINC000028615447 571033259 /nfs/dbraw/zinc/03/32/59/571033259.db2.gz MAKLUTZNHAAPGO-KXXGJRMMSA-N 0 0 368.443 3.790 50 10 FHCARN CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(OC2CSC2)cc1 ZINC000008575496 571051019 /nfs/dbraw/zinc/05/10/19/571051019.db2.gz XHIBANMELFRYLZ-ODLFYWEKSA-N 0 0 350.443 3.987 50 10 FHCARN Cc1cc(C(=O)COc2ccc(C)nc2[N+](=O)[O-])c(C)n1-c1ccccc1 ZINC000008684919 571054885 /nfs/dbraw/zinc/05/48/85/571054885.db2.gz XXLYGCLVXNLVGO-UHFFFAOYSA-N 0 0 365.389 3.967 50 10 FHCARN COc1ccc(CN2C(=O)/C(=C\c3ccc(O)cc3)SC2=S)cc1 ZINC000009295610 571103380 /nfs/dbraw/zinc/10/33/80/571103380.db2.gz QLVBEASAOAHLEW-MHWRWJLKSA-N 0 0 357.456 3.802 50 10 FHCARN COC(=O)c1ccccc1NC=C1SC(=S)N(CCC(C)C)C1=O ZINC000009423144 571108674 /nfs/dbraw/zinc/10/86/74/571108674.db2.gz SITHLDPNCPJKBB-GXDHUFHOSA-N 0 0 364.492 3.633 50 10 FHCARN O=C(CNc1ccccc1)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000009423172 571108786 /nfs/dbraw/zinc/10/87/86/571108786.db2.gz CMAZEBFBFOBPIZ-UHFFFAOYSA-N 0 0 356.381 3.513 50 10 FHCARN c1c2c(cc3c1CN(CCOC14CC5CC(CC(C5)C1)C4)CO3)OCO2 ZINC000054991654 571115226 /nfs/dbraw/zinc/11/52/26/571115226.db2.gz JJMLDSFDOODCIR-UHFFFAOYSA-N 0 0 357.450 3.553 50 10 FHCARN CCN(C)c1cccc(NC(=O)c2ccccc2NC(=O)NC(C)C)c1 ZINC000058154857 571125964 /nfs/dbraw/zinc/12/59/64/571125964.db2.gz PZEFUEBSWJYQGI-UHFFFAOYSA-N 0 0 354.454 3.925 50 10 FHCARN N=C1/C(=C/c2cccn2Cc2ccc(Cl)cc2)C(=O)N=C2SC=CN21 ZINC000033157342 571159979 /nfs/dbraw/zinc/15/99/79/571159979.db2.gz XPXNVHGMNNWMTM-YERBQUFUSA-N 0 0 368.849 3.967 50 10 FHCARN Oc1c(Br)cc(Br)cc1CNc1ccccn1 ZINC000006192351 571161118 /nfs/dbraw/zinc/16/11/18/571161118.db2.gz YBGZQNQZYYQXOC-UHFFFAOYSA-N 0 0 358.033 3.924 50 10 FHCARN CC(C)N1C(=O)/C(=C/C=C\c2ccccc2)C(=O)N(Cc2ccco2)C1=O ZINC000033286975 571230087 /nfs/dbraw/zinc/23/00/87/571230087.db2.gz YPCSOPBFGRLJIF-VDUTWIJRSA-N 0 0 364.401 3.619 50 10 FHCARN CCOC(=O)CN(N=Nc1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 ZINC000252637273 571291562 /nfs/dbraw/zinc/29/15/62/571291562.db2.gz XQZUKSPLTNSKET-UHFFFAOYSA-N 0 0 373.325 3.571 50 10 FHCARN CCCC(=O)N[C@@H](c1cccc([N+](=O)[O-])c1)c1ccc2cccnc2c1O ZINC000003894216 571292856 /nfs/dbraw/zinc/29/28/56/571292856.db2.gz SWDCNWUXTXPNMJ-SFHVURJKSA-N 0 0 365.389 3.854 50 10 FHCARN Cc1cccc(C)c1NC(=S)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000054949416 571311913 /nfs/dbraw/zinc/31/19/13/571311913.db2.gz NPLLRZHVHPSCBO-UHFFFAOYSA-N 0 0 373.497 3.766 50 10 FHCARN COc1ccc(N2CC[C@H](CNC(=S)Nc3ccccc3C)C2)cc1 ZINC000003047450 571344092 /nfs/dbraw/zinc/34/40/92/571344092.db2.gz HCICUEXRKBOGQE-MRXNPFEDSA-N 0 0 355.507 3.817 50 10 FHCARN N=C1/C(=C/c2ccc(O)cc2)C(=O)N=C2SC(C3CCCCC3)=NN21 ZINC000004121993 571355794 /nfs/dbraw/zinc/35/57/94/571355794.db2.gz TUBRXPMNSUOQQE-WOSMYTDYSA-N 0 0 354.435 3.592 50 10 FHCARN O=C1N=C(N2CCCCC2)S/C1=C\c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000022347739 932271167 /nfs/dbraw/zinc/27/11/67/932271167.db2.gz NZVHCPGUHBDYKJ-LCYFTJDESA-N 0 0 351.815 3.704 50 10 FHCARN COc1cc(I)cc(CNc2ccc(F)cc2)c1O ZINC000000626810 210251941 /nfs/dbraw/zinc/25/19/41/210251941.db2.gz SWKPRUQVEGAPAW-UHFFFAOYSA-N 0 0 373.165 3.757 50 10 FHCARN COc1ccccc1CC(=O)c1ccc([O-])c(C[NH+]2CCCCC2)c1O ZINC000023135309 210235149 /nfs/dbraw/zinc/23/51/49/210235149.db2.gz NFYMPILOJNGGQF-UHFFFAOYSA-N 0 0 355.434 3.518 50 10 FHCARN COc1ccc2c3ccc(OCC(=O)OC(C)C)c(C)c3oc(=O)c2c1 ZINC000001155903 210225373 /nfs/dbraw/zinc/22/53/73/210225373.db2.gz CCJOMLXIHMWOOP-UHFFFAOYSA-N 0 0 356.374 3.594 50 10 biogenic FHCARN CC[NH+](CC)Cc1c([O-])ccc2cc(-c3nc4ccccc4[nH]3)c(=O)oc21 ZINC000000848454 210224136 /nfs/dbraw/zinc/22/41/36/210224136.db2.gz PGMWYXYEIOIGHC-UHFFFAOYSA-N 0 0 363.417 3.884 50 10 FHCARN COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(F)cc1 ZINC000000657299 219309862 /nfs/dbraw/zinc/30/98/62/219309862.db2.gz ZGWXJCVKGKGLFM-BOPFTXTBSA-N 0 0 355.340 3.842 50 10 FHCARN CCC1=NN2C(=NC(=O)/C(=C\c3ccc(N(CC)CC)cc3)C2=N)S1 ZINC000004812110 219608866 /nfs/dbraw/zinc/60/88/66/219608866.db2.gz AEDHCOSLUVLKKV-OVZHKCSHSA-N 0 0 355.467 3.562 50 10 FHCARN Cc1cc(-c2csc(C3CC3)n2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 ZINC000028334973 211488099 /nfs/dbraw/zinc/48/80/99/211488099.db2.gz IYCRRZLQRWLUEV-UHFFFAOYSA-N 0 0 373.503 3.742 50 10 FHCARN CCCOc1ccc(C=C2SC(NC3CCCC3)=NC2=O)cc1OC ZINC000021313957 211311077 /nfs/dbraw/zinc/31/10/77/211311077.db2.gz YBNOLEOESNVSAH-ATVHPVEESA-N 0 0 360.479 3.987 50 10 FHCARN O=C1[C@@H]2C[C@@H](CN2Cc2c(O)ccc3ccccc32)N1c1ccccc1F ZINC000020110052 211267768 /nfs/dbraw/zinc/26/77/68/211267768.db2.gz SPZKYJGKTAZAEH-YWZLYKJASA-N 0 0 362.404 3.674 50 10 FHCARN COc1cccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c1O ZINC000016228125 211156570 /nfs/dbraw/zinc/15/65/70/211156570.db2.gz ZUAQHEXCWGLCJW-GDNBJRDFSA-N 0 0 357.456 3.802 50 10 FHCARN CN(C)c1ccc(CNC(=O)c2nccn2Cc2ccc(Cl)cc2)cc1 ZINC000015782923 211142262 /nfs/dbraw/zinc/14/22/62/211142262.db2.gz SCIMDDZGJXRIRI-UHFFFAOYSA-N 0 0 368.868 3.581 50 10 FHCARN CC(C)C(=O)n1nc(-c2ccco2)nc1NCc1ccc(N(C)C)cc1 ZINC000015669724 211135536 /nfs/dbraw/zinc/13/55/36/211135536.db2.gz YYVGYIBTQTWQDW-UHFFFAOYSA-N 0 0 353.426 3.512 50 10 FHCARN CN(C)c1ccc(CNc2nc(-c3ccco3)nn2C(=O)C(C)(C)C)cc1 ZINC000014610865 211097135 /nfs/dbraw/zinc/09/71/35/211097135.db2.gz SGXCBKYKAKCFIU-UHFFFAOYSA-N 0 0 367.453 3.903 50 10 FHCARN Cc1cc(/C=C2\SC(=O)N(C)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1 ZINC000013881641 211064006 /nfs/dbraw/zinc/06/40/06/211064006.db2.gz ZXNNYENGLXFRLJ-DHDCSXOGSA-N 0 0 357.391 3.668 50 10 FHCARN Cc1cc(/C=C2\NC(=S)NC2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000013810226 211059570 /nfs/dbraw/zinc/05/95/70/211059570.db2.gz RRIVACVOYIHNIF-BOPFTXTBSA-N 0 0 353.491 3.737 50 10 FHCARN Cc1ccsc1/C=C1\SC(=S)N(NC(=O)c2ccccc2)C1=O ZINC000013784847 211059197 /nfs/dbraw/zinc/05/91/97/211059197.db2.gz ZQLUZWZMPAOZCO-LCYFTJDESA-N 0 0 360.485 3.603 50 10 FHCARN O=C1/C(=C/c2ccccc2O)SC(=S)N1Cc1ccc2c(c1)OCO2 ZINC000013714603 211051314 /nfs/dbraw/zinc/05/13/14/211051314.db2.gz KNXLLSVGVOBXQT-PXNMLYILSA-N 0 0 371.439 3.522 50 10 FHCARN COc1cccc(NC(=S)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1 ZINC000013041033 211022314 /nfs/dbraw/zinc/02/23/14/211022314.db2.gz SHQXKTCWLCGUNW-SFHVURJKSA-N 0 0 372.490 3.779 50 10 FHCARN COc1ccccc1C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1 ZINC000012062724 210910455 /nfs/dbraw/zinc/91/04/55/210910455.db2.gz FEZRPCHODXKWBD-LJQANCHMSA-N 0 0 368.477 3.583 50 10 FHCARN CN1c2ccccc2C(=C2SC(Nc3ccc(Cl)cc3)=NC2=O)C1=O ZINC000005376032 210617441 /nfs/dbraw/zinc/61/74/41/210617441.db2.gz TZBFYSZJDHAYMU-PFONDFGASA-N 0 0 369.833 3.769 50 10 FHCARN CC1=NN2C(=NC(=O)/C(=C/c3cccn3-c3cc(C)cc(C)c3)C2=N)S1 ZINC000004908936 210578527 /nfs/dbraw/zinc/57/85/27/210578527.db2.gz DYRUNVUYMMUKMD-OQQFSFHQSA-N 0 0 363.446 3.733 50 10 FHCARN CCOC(=O)c1cccc(N2C(=O)/C(=C\c3ccncc3)SC2=S)c1 ZINC000004461497 210531339 /nfs/dbraw/zinc/53/13/39/210531339.db2.gz SBDXFLYUQCCKSI-XNTDXEJSSA-N 0 0 370.455 3.664 50 10 FHCARN O=C(Cn1cc(/C=C2/C(=O)Nc3ccccc32)c2ccccc21)N1CCCC1 ZINC000003646649 210491377 /nfs/dbraw/zinc/49/13/77/210491377.db2.gz DECMYRVACNSKFK-CPNJWEJPSA-N 0 0 371.440 3.756 50 10 FHCARN Cc1ccccc1NC(=O)c1ccc2c(c1N)C(=O)c1ccccc1C2=O ZINC000003878835 210496997 /nfs/dbraw/zinc/49/69/97/210496997.db2.gz BDWCHHIAVKCAEQ-UHFFFAOYSA-N 0 0 356.381 3.605 50 10 FHCARN CCCCN1C(=O)C(=Cc2cn(CC)c3ccccc23)C(=O)NC1=S ZINC000002403963 210396471 /nfs/dbraw/zinc/39/64/71/210396471.db2.gz VCRBUSXULANOBA-RVDMUPIBSA-N 0 0 355.463 3.928 50 10 FHCARN CN(C)c1ccc(N2C(=O)/C(=C/c3ccc(O)cc3)SC2=S)cc1 ZINC000002347867 210393731 /nfs/dbraw/zinc/39/37/31/210393731.db2.gz AISAHPQLRHTIBU-WJDWOHSUSA-N 0 0 356.472 3.864 50 10 FHCARN O=C(NN1C(=O)/C(=C/c2ccccc2)SC1=S)c1cccc(Cl)c1 ZINC000001227947 210337919 /nfs/dbraw/zinc/33/79/19/210337919.db2.gz YPPIVZJTIZMZHL-ZROIWOOFSA-N 0 0 374.874 3.886 50 10 FHCARN CC(=O)N[C@H](c1ccc(Br)cc1)c1ccc2cccnc2c1O ZINC000001218938 210336858 /nfs/dbraw/zinc/33/68/58/210336858.db2.gz DXYUFSXQDXVFAO-MRXNPFEDSA-N 0 0 371.234 3.928 50 10 FHCARN COC(=O)c1ccc(-c2ccc(/C=C3\SC(=S)N(C)C3=O)o2)cc1 ZINC000001167964 210329073 /nfs/dbraw/zinc/32/90/73/210329073.db2.gz XCEIUAXIBVPARP-ZROIWOOFSA-N 0 0 359.428 3.564 50 10 FHCARN 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ZINC000096927070 132226624 /nfs/dbraw/zinc/22/66/24/132226624.db2.gz TWXPZSQVBTUCTP-XFXZXTDPSA-N 0 0 359.429 3.874 50 10 FHCARN Cc1ccc(N2CCN(C3=NC(=O)/C(=C/c4ccccc4)S3)CC2)cc1 ZINC000001471427 132253089 /nfs/dbraw/zinc/25/30/89/132253089.db2.gz IZFJSLNSHZMLMQ-CYVLTUHYSA-N 0 0 363.486 3.788 50 10 FHCARN CC(=O)c1cccc(NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000058197075 136130890 /nfs/dbraw/zinc/13/08/90/136130890.db2.gz ZNMMKNVUYHSGES-OAHLLOKOSA-N 0 0 367.449 3.609 50 10 FHCARN CN(CCc1ccc(F)cc1)C(=O)/C=C/c1ccc2c(c1)CCCN2C ZINC000061191471 136132507 /nfs/dbraw/zinc/13/25/07/136132507.db2.gz YRIHGLBFOSWLRN-XYOKQWHBSA-N 0 0 352.453 3.922 50 10 FHCARN Cc1ccc(C)c(S(=O)(=O)NCc2ccc(N3CCCCC3)cc2)c1 ZINC000071385452 136139062 /nfs/dbraw/zinc/13/90/62/136139062.db2.gz DAHJXBAVLOBHFU-UHFFFAOYSA-N 0 0 358.507 3.772 50 10 FHCARN CCCc1ccc(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1 ZINC000072273604 136144153 /nfs/dbraw/zinc/14/41/53/136144153.db2.gz NRZAIJRCKAUPEI-UHFFFAOYSA-N 0 0 370.468 3.669 50 10 FHCARN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccc([S@](C)=O)cc1 ZINC000028853822 136153456 /nfs/dbraw/zinc/15/34/56/136153456.db2.gz GJALNXBYTCKVHC-AREMUKBSSA-N 0 0 370.518 3.687 50 10 FHCARN CCCOc1cc(/C=C2/SC(N3CCCCC3)=NC2=O)ccc1OC ZINC000096399822 222120130 /nfs/dbraw/zinc/12/01/30/222120130.db2.gz XGUAHOXHCPUISK-GHRIWEEISA-N 0 0 360.479 3.940 50 10 FHCARN CCOC1=NN(c2ccc(Cl)cc2)C(=O)C1=CNCc1cccs1 ZINC000100249996 222239530 /nfs/dbraw/zinc/23/95/30/222239530.db2.gz NHDJXKIHDZGACT-PTNGSMBKSA-N 0 0 361.854 3.772 50 10 FHCARN O=C1N=C(Nc2ccc3c(c2)OCO3)SC1=Cc1c[nH]c2ccccc12 ZINC000101016277 222259460 /nfs/dbraw/zinc/25/94/60/222259460.db2.gz OPZFXNHZMLJQND-IDUWFGFVSA-N 0 0 363.398 3.979 50 10 FHCARN COc1ccc(N2CCN(CC(=O)Nc3ccc(C(C)C)cc3)CC2)cc1 ZINC000055069955 536695039 /nfs/dbraw/zinc/69/50/39/536695039.db2.gz QSHPFMOFDYGZEZ-UHFFFAOYSA-N 0 0 367.493 3.579 50 10 FHCARN COc1ccc(N2COc3c(C)c4oc(=O)c5c(c4cc3C2)CCC5)cc1 ZINC000002120679 536706968 /nfs/dbraw/zinc/70/69/68/536706968.db2.gz IRXRHWKPZFUEKG-UHFFFAOYSA-N 0 0 363.413 3.955 50 10 biogenic FHCARN CN(C)c1ccc(CN(C)S(=O)(=O)/C=C/c2ccc(Cl)cc2)cc1 ZINC000007146485 568187589 /nfs/dbraw/zinc/18/75/89/568187589.db2.gz MPWYQPYIVSJKEF-OUKQBFOZSA-N 0 0 364.898 3.839 50 10 FHCARN Cc1ccc(OCCOc2cccc(C=C3SC(=S)NC3=O)c2)cc1 ZINC000002998653 570548829 /nfs/dbraw/zinc/54/88/29/570548829.db2.gz OZCKTLCOJCXXMR-SFQUDFHCSA-N 0 0 371.483 3.942 50 10 FHCARN CCCC1=NN2C(=NC(=O)/C(=C\c3ccc(N(CC)CC)cc3)C2=N)S1 ZINC000003904786 570571387 /nfs/dbraw/zinc/57/13/87/570571387.db2.gz ZJPXFPGNOBNIOU-JGZHAYGJSA-N 0 0 369.494 3.952 50 10 FHCARN COc1ccc(N2CCCC2)c(NC(=O)c2ccc(Br)o2)c1 ZINC000004998662 570616958 /nfs/dbraw/zinc/61/69/58/570616958.db2.gz USWFPPFVMLRJKT-UHFFFAOYSA-N 0 0 365.227 3.903 50 10 FHCARN O=C(CSc1n[nH]c(-c2ccccc2Cl)n1)c1ccc(O)c(O)c1 ZINC000005636997 570632143 /nfs/dbraw/zinc/63/21/43/570632143.db2.gz WJSDXVCIEJFLPM-UHFFFAOYSA-N 0 0 361.810 3.511 50 10 FHCARN CCN(CC)c1ccc(/C=C2\C(=N)N3N=C(C(C)C)SC3=NC2=O)cc1 ZINC000033928683 570633715 /nfs/dbraw/zinc/63/37/15/570633715.db2.gz WXYQVAJKHPIVHN-UMWCEBECSA-N 0 0 369.494 3.808 50 10 FHCARN Cc1cc(C(=O)OCC(=O)N2C[C@H](C)C[C@@H](C)C2)c(C)n1-c1ccccc1 ZINC000003460660 570661949 /nfs/dbraw/zinc/66/19/49/570661949.db2.gz NYNXSGRLDWCVJL-HZPDHXFCSA-N 0 0 368.477 3.755 50 10 FHCARN COc1ccc(/C=C2/SC(=S)N(C(=O)c3ccccc3F)C2=O)cc1 ZINC000408822742 570690107 /nfs/dbraw/zinc/69/01/07/570690107.db2.gz VCTDGKVPGHQNQR-XNTDXEJSSA-N 0 0 373.430 3.876 50 10 FHCARN CCOc1ccc(/C=C2\SC(N3CCC[C@H](C)C3)=NC2=O)cc1OC ZINC000009188886 570692170 /nfs/dbraw/zinc/69/21/70/570692170.db2.gz PPEGDOCTVKAMBM-MFVBVHDHSA-N 0 0 360.479 3.796 50 10 FHCARN Cc1ccc(-c2nnc(SCC(=O)c3ccc(O)c(O)c3)o2)cc1C ZINC000010844049 570944498 /nfs/dbraw/zinc/94/44/98/570944498.db2.gz BOJIRSCJAJJNAD-UHFFFAOYSA-N 0 0 356.403 3.740 50 10 FHCARN Cc1cc(C(=O)CSC(=S)N2CCCC2)c(C)n1-c1ccccn1 ZINC000040010037 571067874 /nfs/dbraw/zinc/06/78/74/571067874.db2.gz ZWDYZUSAGJWCRF-UHFFFAOYSA-N 0 0 359.520 3.786 50 10 FHCARN CCOC(=O)[C@@H]1CCCN(C(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)C1 ZINC000033028093 571109961 /nfs/dbraw/zinc/10/99/61/571109961.db2.gz XLUKNJDPFBIRLF-MRXNPFEDSA-N 0 0 372.440 3.649 50 10 FHCARN Cn1ncc([N+](=O)[O-])c1C(=O)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000004719219 571168260 /nfs/dbraw/zinc/16/82/60/571168260.db2.gz TVDSOAATNZPPHI-QZQOTICOSA-N 0 0 350.338 3.996 50 10 FHCARN CCN(CC)c1ccc([C@H]2[C@H]3CCCC[C@]3(O)CCN2C(=O)OC)cc1 ZINC000005979329 571170024 /nfs/dbraw/zinc/17/00/24/571170024.db2.gz BAPXFDGYOLEISY-DYXWJJEUSA-N 0 0 360.498 3.967 50 10 biogenic FHCARN Cc1ccc(/C=C2/C(=N)N3C(SCC(C)C)=NSC3=NC2=O)cc1 ZINC000003894887 571171503 /nfs/dbraw/zinc/17/15/03/571171503.db2.gz YQZYCJYILHMLKG-ILZPQDLUSA-N 0 0 358.492 3.961 50 10 FHCARN O=C([O-])[C@@H]1Cc2c3ccccc3[nH]c2[C@@H](c2c(O)ccc3ccccc32)[NH2+]1 ZINC000001896401 571173553 /nfs/dbraw/zinc/17/35/53/571173553.db2.gz CEKACLSWRGWQLZ-LAUBAEHRSA-N 0 0 358.397 3.715 50 10 biogenic FHCARN CCOc1cccc([C@H]2Nc3ccccc3C(=O)N2C[C@@H]2CCCO2)c1O ZINC000012556204 571181060 /nfs/dbraw/zinc/18/10/60/571181060.db2.gz ZGGZEFKIERBQMZ-XOBRGWDASA-N 0 0 368.433 3.536 50 10 FHCARN CCn1c(-c2ccc(OC)cc2)cnc1SCC(=O)Nc1nccs1 ZINC000044085621 571181823 /nfs/dbraw/zinc/18/18/23/571181823.db2.gz COLIWNJFYVTTBU-UHFFFAOYSA-N 0 0 374.491 3.766 50 10 FHCARN CCn1c(-c2ccc(OC)cc2)cnc1SCC(=O)N1CCCCC1 ZINC000044085613 571181903 /nfs/dbraw/zinc/18/19/03/571181903.db2.gz JBCGCQRPFKLWET-UHFFFAOYSA-N 0 0 359.495 3.683 50 10 FHCARN COc1ccc2c(c1)CCCN2Cc1nc(-c2ccccc2OC)no1 ZINC000012594819 571187959 /nfs/dbraw/zinc/18/79/59/571187959.db2.gz UCOGQGWLBZGXOD-UHFFFAOYSA-N 0 0 351.406 3.707 50 10 FHCARN CC[C@H]1COCCN1C(=O)c1ccc(-n2c(C)cc(C(C)=O)c2C)cc1 ZINC000077539126 571215152 /nfs/dbraw/zinc/21/51/52/571215152.db2.gz SDYNVYQICZFKPF-SFHVURJKSA-N 0 0 354.450 3.548 50 10 FHCARN Cc1nnc(NC(=O)C(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)s1 ZINC000006781005 571246346 /nfs/dbraw/zinc/24/63/46/571246346.db2.gz DWWLYBNPGDIYFU-UHFFFAOYSA-N 0 0 374.853 3.729 50 10 FHCARN CCn1cnnc1SCC(=O)c1cc(C)n(-c2ccccc2F)c1C ZINC000007371832 571264854 /nfs/dbraw/zinc/26/48/54/571264854.db2.gz HLNSVGNANRKAQN-UHFFFAOYSA-N 0 0 358.442 3.820 50 10 FHCARN O=C(CN1CCCCC1)N1N=C(c2ccccc2O)C[C@H]1c1cccs1 ZINC000170612665 571267864 /nfs/dbraw/zinc/26/78/64/571267864.db2.gz BMQXYFXKMKZNNK-KRWDZBQOSA-N 0 0 369.490 3.617 50 10 FHCARN O=C(Nc1c2nonc2ccc1Cl)c1cc([N+](=O)[O-])ccc1Cl ZINC000170617630 571268453 /nfs/dbraw/zinc/26/84/53/571268453.db2.gz HQTBTONSEBFMHR-UHFFFAOYSA-N 0 0 353.121 3.690 50 10 FHCARN O=[N+]([O-])c1c(N(Cc2ccco2)Cc2ccccc2O)nc2sccn21 ZINC000095460485 571330194 /nfs/dbraw/zinc/33/01/94/571330194.db2.gz JIFZEKWOVIGLDZ-UHFFFAOYSA-N 0 0 370.390 3.809 50 10 FHCARN CCC(CC)NC(=O)COC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000003319969 571347302 /nfs/dbraw/zinc/34/73/02/571347302.db2.gz XAHLEZBJCYSRLH-UHFFFAOYSA-N 0 0 360.429 3.695 50 10 FHCARN COc1ccc(-c2cc(=O)oc3c2ccc([O-])c3C[NH+]2CCCC2)cc1 ZINC000004001404 571353911 /nfs/dbraw/zinc/35/39/11/571353911.db2.gz RMFSTFZQJFZOIL-UHFFFAOYSA-N 0 0 351.402 3.770 50 10 biogenic FHCARN CC(C)CCOC(=O)CCN1C(=O)/C(=C/c2ccccc2)SC1=S ZINC000004070701 571354758 /nfs/dbraw/zinc/35/47/58/571354758.db2.gz DYBNZUIJFAMPLJ-QINSGFPZSA-N 0 0 363.504 3.867 50 10 FHCARN Cc1ccc(/C=C2/C(=N)N3N=C(c4ccccc4C)SC3=NC2=O)cc1 ZINC000004170609 571356408 /nfs/dbraw/zinc/35/64/08/571356408.db2.gz RAZILPKVVXYLSP-XGMUFTHNSA-N 0 0 360.442 3.971 50 10 FHCARN N=C1/C(=C\c2cccs2)C(=O)N=C2SC(Cc3cccs3)=NN21 ZINC000004917585 947693860 /nfs/dbraw/zinc/69/38/60/947693860.db2.gz MLLSLHKIBVYOGN-ZQJZDCJSSA-N 0 0 358.473 3.671 50 10 FHCARN COCC(=O)N[C@@H]1CCCc2c1cc(C)n2-c1cccc(C(F)(F)F)c1 ZINC000058355639 212005829 /nfs/dbraw/zinc/00/58/29/212005829.db2.gz GLLJOOBKFQZWFT-MRXNPFEDSA-N 0 0 366.383 3.945 50 10 FHCARN CCOC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\c1ccc(F)cc1 ZINC000027520529 211466100 /nfs/dbraw/zinc/46/61/00/211466100.db2.gz MHVBBKIKZPTYGT-WJDWOHSUSA-N 0 0 355.325 3.514 50 10 FHCARN CN(C)c1ccc(CNC(=O)c2cc3c4c(ccc3Cl)OCCn24)cc1 ZINC000020560063 211287825 /nfs/dbraw/zinc/28/78/25/211287825.db2.gz DMLVLYQXJGZYFI-UHFFFAOYSA-N 0 0 369.852 3.683 50 10 FHCARN Cc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c(C)n1C1CC1 ZINC000017074646 211177659 /nfs/dbraw/zinc/17/76/59/211177659.db2.gz KRDXVUARSJZPOX-HVVQPJKBSA-N 0 0 362.520 3.820 50 10 FHCARN Cc1ccc(C(=O)NN2C(=O)/C(=C\C=C\c3ccco3)SC2=S)cc1 ZINC000016661709 211165894 /nfs/dbraw/zinc/16/58/94/211165894.db2.gz QKIUMFHQYRBCPL-XEXQVEHGSA-N 0 0 370.455 3.690 50 10 FHCARN COc1ccc(/C=C2/SC(=S)N(Cc3ccco3)C2=O)c(OC)c1 ZINC000015856931 211146025 /nfs/dbraw/zinc/14/60/25/211146025.db2.gz YNMMYMFENMXUBK-OVCLIPMQSA-N 0 0 361.444 3.698 50 10 FHCARN CCC1=NN2C(=NC(=O)/C(=C/c3ccc(N(CC)CC)cc3)C2=N)S1 ZINC000015799213 211145111 /nfs/dbraw/zinc/14/51/11/211145111.db2.gz AEDHCOSLUVLKKV-BTTQMQCWSA-N 0 0 355.467 3.562 50 10 FHCARN CCOc1ccc(/C=C2\SC(=S)N(CC(C)C)C2=O)cc1OC ZINC000015011080 211113862 /nfs/dbraw/zinc/11/38/62/211113862.db2.gz HSJKSIXSZRTYSR-DHDCSXOGSA-N 0 0 351.493 3.951 50 10 FHCARN CC(C)CNC(=O)CSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1 ZINC000014085727 211072305 /nfs/dbraw/zinc/07/23/05/211072305.db2.gz GDNSNLVQPQJAHX-KRWDZBQOSA-N 0 0 373.522 3.593 50 10 FHCARN COC(=O)C1=C(C)NC(=O)/C1=C\c1cc(C)n(-c2cccc(Cl)c2)c1C ZINC000013940912 211065204 /nfs/dbraw/zinc/06/52/04/211065204.db2.gz WEJUOTUZWZSGSF-MFOYZWKCSA-N 0 0 370.836 3.708 50 10 FHCARN Cc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)cc1 ZINC000013943915 211064987 /nfs/dbraw/zinc/06/49/87/211064987.db2.gz OFANVUQKORIZLO-PTNGSMBKSA-N 0 0 354.456 3.541 50 10 FHCARN Cc1cc(/C=C2/NC(=S)NC2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000013810497 211059520 /nfs/dbraw/zinc/05/95/20/211059520.db2.gz JWYDSNMKBRZEJJ-MKMNVTDBSA-N 0 0 366.273 3.746 50 10 FHCARN COc1ccc2c(c1)CCC1C2=NC(=S)N[C@@H]1c1ccc(N(C)C)cc1 ZINC000013545902 211038909 /nfs/dbraw/zinc/03/89/09/211038909.db2.gz NOYBEYGHQKYHRT-LJQANCHMSA-N 0 0 365.502 3.638 50 10 FHCARN O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)SC(=S)N1c1cccc(O)c1 ZINC000004471638 210530542 /nfs/dbraw/zinc/53/05/42/210530542.db2.gz VKOYANNCEDCQGT-RIYZIHGNSA-N 0 0 358.400 3.706 50 10 FHCARN Cc1cc(C(=O)CSc2nncs2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000003413226 210476182 /nfs/dbraw/zinc/47/61/82/210476182.db2.gz YWDYDNJEAANYAI-UHFFFAOYSA-N 0 0 373.459 3.649 50 10 aggregator FHCARN Cc1oc2c(c1C(=O)N[C@@H](C)c1ccccc1)C(=O)c1ccccc1C2=O ZINC000002700664 210415019 /nfs/dbraw/zinc/41/50/19/210415019.db2.gz CQOJFCABWVADLA-LBPRGKRZSA-N 0 0 359.381 3.854 50 10 FHCARN CN(C)c1ccc([C@@H]2Nc3sc4c(c3C(=O)N2)CC(C)(C)OC4)cc1 ZINC000002234366 210384901 /nfs/dbraw/zinc/38/49/01/210384901.db2.gz MUSWNLXRBBGBLH-INIZCTEOSA-N 0 0 357.479 3.520 50 10 FHCARN COc1ccc2ccccc2c1C=C1C(=O)OC2(CCCCC2)OC1=O ZINC000001405979 210349680 /nfs/dbraw/zinc/34/96/80/210349680.db2.gz URUAGXGSJWTHLG-UHFFFAOYSA-N 0 0 352.386 3.992 50 10 FHCARN O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)SC(=S)N1Cc1ccccc1 ZINC000001225532 210337481 /nfs/dbraw/zinc/33/74/81/210337481.db2.gz WAXFSZOLSONKKH-GDNBJRDFSA-N 0 0 356.428 3.996 50 10 FHCARN 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/nfs/dbraw/zinc/50/60/73/210506073.db2.gz LVGYIHUZBOOSNO-UHFFFAOYSA-N 0 0 371.458 3.873 50 10 FHCARN CC(=C1SC(N2CCCC2)=NC1=O)c1ccc(Br)cc1 ZINC000004035657 210504121 /nfs/dbraw/zinc/50/41/21/210504121.db2.gz PKPWGSRONAQDSI-RAXLEYEMSA-N 0 0 351.269 3.905 50 10 FHCARN COc1ccc(N2CC[C@H](CNC(=O)Nc3ccc(C)c(C)c3)C2)cc1 ZINC000003047445 210447788 /nfs/dbraw/zinc/44/77/88/210447788.db2.gz ZBDXYOGKBNIIDH-QGZVFWFLSA-N 0 0 353.466 3.960 50 10 FHCARN CCN(CC)c1ccc([C@H]2[NH2+][C@@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc1 ZINC000003173573 210452759 /nfs/dbraw/zinc/45/27/59/210452759.db2.gz ZZCHJMAPYLQKJP-WOJBJXKFSA-N 0 0 363.461 3.702 50 10 FHCARN COc1ccccc1N1C(=O)/C(=C/c2nc3ccccc3[nH]2)SC1=S ZINC000002323849 210392393 /nfs/dbraw/zinc/39/23/93/210392393.db2.gz NFINFFXQHVBIDE-GDNBJRDFSA-N 0 0 367.455 3.977 50 10 FHCARN CN1C(=O)/C(=C2/Oc3ccc(-c4ccccc4)cc3N2C)SC1=S ZINC000002067938 210378462 /nfs/dbraw/zinc/37/84/62/210378462.db2.gz HVDZIWZQYGKKSX-ICFOKQHNSA-N 0 0 354.456 3.841 50 10 FHCARN CC(C)(C)NC(=O)CCCN1C(=O)/C(=C/c2ccccc2)SC1=S ZINC000001235714 210338288 /nfs/dbraw/zinc/33/82/88/210338288.db2.gz FWFWLUKBPZJWBY-OWBHPGMISA-N 0 0 362.520 3.583 50 10 FHCARN O=C(NN1C(=O)/C(=C/c2ccccc2)SC1=S)c1ccccc1Cl ZINC000001227963 210338312 /nfs/dbraw/zinc/33/83/12/210338312.db2.gz WTFITOCUXDTJGD-UVTDQMKNSA-N 0 0 374.874 3.886 50 10 FHCARN COc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)ccc1O ZINC000001233139 210337915 /nfs/dbraw/zinc/33/79/15/210337915.db2.gz IDMDIGOMBOGNAB-MHWRWJLKSA-N 0 0 357.456 3.802 50 10 FHCARN CC1=C(C(=O)OC2CCC(C)CC2)[C@H](c2ccc(N(C)C)cc2)NC(=O)N1 ZINC000001226004 210336758 /nfs/dbraw/zinc/33/67/58/210336758.db2.gz HYXYXSQAUIJADG-JVMACKPJSA-N 0 0 371.481 3.502 50 10 FHCARN CCOc1ccc(-n2c(C)cc(C=C3SC(=S)NC3=O)c2C)cc1 ZINC000001158805 210328125 /nfs/dbraw/zinc/32/81/25/210328125.db2.gz OMFVTXRDIKXPIB-MHWRWJLKSA-N 0 0 358.488 3.982 50 10 FHCARN COc1ccc(OC)c(/C=C2/SC(=S)N(Cc3ccco3)C2=O)c1 ZINC000001184606 210331397 /nfs/dbraw/zinc/33/13/97/210331397.db2.gz TZZKIRMXMQSYQS-OQLLNIDSSA-N 0 0 361.444 3.698 50 10 FHCARN COc1cc(Br)cc(CNc2ccc(F)c([N+](=O)[O-])c2)c1O ZINC000001060478 210310806 /nfs/dbraw/zinc/31/08/06/210310806.db2.gz BFVRIUDNVCSMTQ-UHFFFAOYSA-N 0 0 371.162 3.823 50 10 FHCARN COc1ccccc1[C@@H](NC(=O)C(C)C)c1ccc2cccnc2c1O ZINC000000855784 210281789 /nfs/dbraw/zinc/28/17/89/210281789.db2.gz LKTAHGUJCBIECB-LJQANCHMSA-N 0 0 350.418 3.811 50 10 FHCARN CCSc1nnc2c(n1)O[C@H](c1ccc(O)c(O)c1)Nc1ccccc1-2 ZINC000000845748 210279464 /nfs/dbraw/zinc/27/94/64/210279464.db2.gz KCTGAGJZSNWGFC-MRXNPFEDSA-N 0 0 368.418 3.565 50 10 FHCARN COc1ccc(N(CCC(N)=O)Cc2csc(-c3cccs3)n2)cc1 ZINC000032851073 220688373 /nfs/dbraw/zinc/68/83/73/220688373.db2.gz AYOAJHSISKJNNP-UHFFFAOYSA-N 0 0 373.503 3.762 50 10 FHCARN COc1ccc(N(C)CC(=O)N2c3ccccc3CC[C@@H]2C)cc1OC ZINC000065626175 221236060 /nfs/dbraw/zinc/23/60/60/221236060.db2.gz RNXDTVKKETXWFL-HNNXBMFYSA-N 0 0 354.450 3.508 50 10 FHCARN C[C@@H]1CN(c2ccc(CNc3cnc4ccccc4n3)cc2F)C[C@@H](C)O1 ZINC000095356844 132207564 /nfs/dbraw/zinc/20/75/64/132207564.db2.gz LCFNBPNJWOWNRR-HUUCEWRRSA-N 0 0 366.440 3.995 50 10 FHCARN CSc1cnc(NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)nc1 ZINC000225817868 132286911 /nfs/dbraw/zinc/28/69/11/132286911.db2.gz SHQOBYCZNDCHQV-BETUJISGSA-N 0 0 362.474 3.563 50 10 FHCARN COc1ccc(N2CCN(Cc3cccc(Br)c3)CC2)cc1 ZINC000055542990 132376196 /nfs/dbraw/zinc/37/61/96/132376196.db2.gz DPRZMRPZXOEJEE-UHFFFAOYSA-N 0 0 361.283 3.780 50 10 FHCARN CC(C)=C1SC(N2CCN(c3cccc(C(F)(F)F)c3)CC2)=NC1=O ZINC000002442721 132383449 /nfs/dbraw/zinc/38/34/49/132383449.db2.gz ZCZGSQNIXINEES-UHFFFAOYSA-N 0 0 369.412 3.751 50 10 FHCARN Cc1ccccc1CC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000048364271 136123658 /nfs/dbraw/zinc/12/36/58/136123658.db2.gz RMHYYDLNDXBCRA-CALCHBBNSA-N 0 0 370.468 3.607 50 10 FHCARN O=C(CCCOc1ccccc1)NCc1ccc(N2CCSCC2)cc1 ZINC000054035457 136124999 /nfs/dbraw/zinc/12/49/99/136124999.db2.gz PIGKJCWQVFVINL-UHFFFAOYSA-N 0 0 370.518 3.715 50 10 FHCARN O=C1c2ccccc2N[C@H](c2cc(O)c(O)c(Cl)c2)N1c1ccncc1 ZINC000054702556 136125799 /nfs/dbraw/zinc/12/57/99/136125799.db2.gz GBWOAMIJMNOBDQ-SFHVURJKSA-N 0 0 367.792 3.917 50 10 FHCARN CC(=O)c1ccc(N=NC(C(N)=O)=C2NC(C)(C)Cc3ccccc32)cc1 ZINC000100389717 222242376 /nfs/dbraw/zinc/24/23/76/222242376.db2.gz ZXSRRUROLCGTBS-KEYVSXKFSA-N 0 0 362.433 3.751 50 10 in-vitro FHCARN COc1ccc(N2CCN(C(=O)c3ccn(C(C)(C)C)c3)CC2(C)C)cc1 ZINC000095361669 536690097 /nfs/dbraw/zinc/69/00/97/536690097.db2.gz FZNHGBNZUSEGKV-UHFFFAOYSA-N 0 0 369.509 3.993 50 10 FHCARN COc1ccc(N2CCN(C(=O)c3csc4c3CCCC4)CC2)cc1 ZINC000002769046 536691309 /nfs/dbraw/zinc/69/13/09/536691309.db2.gz HQEFPDNDRDYCCC-UHFFFAOYSA-N 0 0 356.491 3.598 50 10 FHCARN Cc1cc(/C=c2/sc3nc4ccccc4n3c2=O)c(C)n1-c1ccccc1 ZINC000009311439 560211174 /nfs/dbraw/zinc/21/11/74/560211174.db2.gz SJMYMKPBODEZSH-DEDYPNTBSA-N 0 0 371.465 3.864 50 10 in-vitro FHCARN O=C1NC(=S)S/C1=C/c1cccc(OCc2ccccc2[N+](=O)[O-])c1 ZINC000223208289 568625542 /nfs/dbraw/zinc/62/55/42/568625542.db2.gz ZCJZWTYZYREFKO-OQLLNIDSSA-N 0 0 372.427 3.663 50 10 FHCARN O=C(c1ccc(-c2ccc(C3=S=CC=C3)s2)cc1)N1CCC[C@H](O)C1 ZINC000426429030 570498414 /nfs/dbraw/zinc/49/84/14/570498414.db2.gz PUNYXHQBMUDWPP-INIZCTEOSA-N 0 0 369.511 3.638 50 10 FHCARN Cc1ccc(OCCOc2ccc(C=C3SC(=S)NC3=O)cc2)cc1 ZINC000003002864 570549656 /nfs/dbraw/zinc/54/96/56/570549656.db2.gz WFQPFFJITLTBHJ-SFQUDFHCSA-N 0 0 371.483 3.942 50 10 FHCARN COC(=O)CCCCCN1C(=O)/C(=C\c2ccccc2F)SC1=S ZINC000004866742 570552673 /nfs/dbraw/zinc/55/26/73/570552673.db2.gz QLQRFXLVXINWKD-SDNWHVSQSA-N 0 0 367.467 3.760 50 10 FHCARN O=C(CCC1(c2ccccc2)C(=O)c2ccccc2C1=O)N1CCCCC1 ZINC000034864948 570561344 /nfs/dbraw/zinc/56/13/44/570561344.db2.gz PSPPDLMYIVGLNT-UHFFFAOYSA-N 0 0 361.441 3.796 50 10 FHCARN Nc1ncnc(Nc2ccc(Cl)cc2C(=O)c2ccccc2)c1[N+](=O)[O-] ZINC000004059588 570574358 /nfs/dbraw/zinc/57/43/58/570574358.db2.gz LVYOHGORPJWIMQ-UHFFFAOYSA-N 0 0 369.768 3.595 50 10 FHCARN COc1ccc2c(c1)CC[C@@H]1C2=NN(C(C)=O)[C@@H]1c1ccc(N(C)C)cc1 ZINC000004168128 570580074 /nfs/dbraw/zinc/58/00/74/570580074.db2.gz ABCOZFPPGDRJAT-IFMALSPDSA-N 0 0 363.461 3.631 50 10 FHCARN CC[C@H](C)Oc1ccc(C=C2C(=O)NC(=S)N(C)C2=O)cc1Cl ZINC000033747984 570581135 /nfs/dbraw/zinc/58/11/35/570581135.db2.gz YUWIAYDPDLGEEI-MKVDPYIPSA-N 0 0 352.843 3.614 50 10 FHCARN COc1ccccc1C(=O)N1C(=O)/C(=C\c2ccccc2)SC1=S ZINC000005100081 570584173 /nfs/dbraw/zinc/58/41/73/570584173.db2.gz GHARLGIDNDMDSE-RVDMUPIBSA-N 0 0 355.440 3.737 50 10 FHCARN O=C(CCN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1ccccc1 ZINC000004844241 570610468 /nfs/dbraw/zinc/61/04/68/570610468.db2.gz CPCMESXITDCWCE-SDNWHVSQSA-N 0 0 374.512 3.978 50 10 FHCARN Cn1c(-c2ccccc2)cnc1SCC(=O)NCCc1cccs1 ZINC000005165981 570626377 /nfs/dbraw/zinc/62/63/77/570626377.db2.gz XSQFYQZQBHFQJE-UHFFFAOYSA-N 0 0 357.504 3.600 50 10 FHCARN CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=CNC1CCCCCCC1 ZINC000007078917 570659678 /nfs/dbraw/zinc/65/96/78/570659678.db2.gz BADBCQLUMZCGAB-QGOAFFKASA-N 0 0 356.426 3.904 50 10 FHCARN COc1ccc(N2CCOCC2)c(NC(=O)c2ccc(C)c(Cl)c2)c1 ZINC000007496946 570664927 /nfs/dbraw/zinc/66/49/27/570664927.db2.gz WCIKBOKDVWYUCL-UHFFFAOYSA-N 0 0 360.841 3.746 50 10 FHCARN COc1ccc(N2CCN(C(=O)COc3ccccc3C(C)C)CC2)cc1 ZINC000008028292 570676490 /nfs/dbraw/zinc/67/64/90/570676490.db2.gz PXYYARVAHYUZBC-UHFFFAOYSA-N 0 0 368.477 3.546 50 10 FHCARN CC(=O)N1CCN(C(=S)c2ccc(-c3ccc(C)c(Cl)c3)o2)CC1 ZINC000008843393 570685858 /nfs/dbraw/zinc/68/58/58/570685858.db2.gz YPHJIRJZUMODTR-UHFFFAOYSA-N 0 0 362.882 3.748 50 10 FHCARN CCc1ccc(CCC(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000010315345 570699774 /nfs/dbraw/zinc/69/97/74/570699774.db2.gz FMRBLHXPZNVIJU-UHFFFAOYSA-N 0 0 352.478 3.539 50 10 FHCARN CC(=O)Nc1cccc(NC=C2C(=O)N(c3ccc(F)cc3)N=C2C)c1 ZINC000012412814 570743287 /nfs/dbraw/zinc/74/32/87/570743287.db2.gz AXVWQRRZSRCUSU-WQRHYEAKSA-N 0 0 352.369 3.503 50 10 FHCARN C[C@H](c1ccccc1Cl)N1CCN(C(=O)C2=CC(=O)CS2)CC1 ZINC000101044500 570803071 /nfs/dbraw/zinc/80/30/71/570803071.db2.gz VXBWOQUOJRFAHL-GFCCVEGCSA-N 0 0 350.871 3.626 50 10 FHCARN O=S(=O)(NCc1ccc(N2CCCC2)cc1)c1ccc2ccccc2c1 ZINC000010113626 570872922 /nfs/dbraw/zinc/87/29/22/570872922.db2.gz QZXPTSPTFNHOTF-UHFFFAOYSA-N 0 0 366.486 3.919 50 10 FHCARN COc1ccc(N2CCN(C(=O)c3ccc4nc(C)sc4c3)CC2)cc1 ZINC000020724675 570923906 /nfs/dbraw/zinc/92/39/06/570923906.db2.gz YRWOPTUGVLXSDF-UHFFFAOYSA-N 0 0 367.474 3.576 50 10 FHCARN CCN(CC)c1ccc(CN(C)C(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC000024187514 570972750 /nfs/dbraw/zinc/97/27/50/570972750.db2.gz PKXNWEMVVIDQCE-UHFFFAOYSA-N 0 0 368.477 3.966 50 10 FHCARN COCCN1C(=O)/C(=C/c2ccc(-c3ccc(F)cc3)o2)SC1=S ZINC000027018650 571009649 /nfs/dbraw/zinc/00/96/49/571009649.db2.gz XRIBKYNKVLQTFC-GDNBJRDFSA-N 0 0 363.435 3.933 50 10 FHCARN O=C1/C(=C/N2CCc3ccccc3C2)SC(=S)N1Cc1ccco1 ZINC000030819325 571050147 /nfs/dbraw/zinc/05/01/47/571050147.db2.gz RDKHWNTXWDVOGI-VBKFSLOCSA-N 0 0 356.472 3.540 50 10 FHCARN COc1ccc(N2CC[C@@H](CNC(=S)Nc3cccc(OC)c3)C2)cc1 ZINC000008683085 571054955 /nfs/dbraw/zinc/05/49/55/571054955.db2.gz YGDGOHBULMCSLI-HNNXBMFYSA-N 0 0 371.506 3.517 50 10 FHCARN CCc1cccc2c(C3=CCN(c4ncnc5c4cnn5C)CC3)c[nH]c21 ZINC000012748618 571069333 /nfs/dbraw/zinc/06/93/33/571069333.db2.gz FBQTZUQXXUUKKV-UHFFFAOYSA-N 0 0 358.449 3.701 50 10 FHCARN FC(F)(F)Oc1ccc(N2CC[C@H](CNc3cncc(Cl)n3)C2)cc1 ZINC000084405139 571084947 /nfs/dbraw/zinc/08/49/47/571084947.db2.gz COMNCBYYWKIGLE-LLVKDONJSA-N 0 0 372.778 3.967 50 10 FHCARN CN(C)c1ccc(CNc2c(=O)c(=O)c2-c2ccc3c(c2)CCCC3)cc1 ZINC000009228145 571101764 /nfs/dbraw/zinc/10/17/64/571101764.db2.gz JTNMMXWJEABRRI-UHFFFAOYSA-N 0 0 360.457 3.507 50 10 FHCARN COc1cccc([C@@H]2CC(c3ccco3)=NN2C(=O)c2ccco2)c1O ZINC000009419033 571108388 /nfs/dbraw/zinc/10/83/88/571108388.db2.gz IZAJMTXMIDUPHN-AWEZNQCLSA-N 0 0 352.346 3.578 50 10 FHCARN CN1C(=O)C(=Cc2ccc(-c3cccc4ccccc43)o2)C(=O)N(C)C1=O ZINC000004689967 571161821 /nfs/dbraw/zinc/16/18/21/571161821.db2.gz 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/nfs/dbraw/zinc/24/43/73/571244373.db2.gz UZADPNHSKULPMP-UHFFFAOYSA-N 0 0 365.433 3.678 50 10 FHCARN C[C@H]1CN(c2ccc(CNc3cc(N)ccc3[N+](=O)[O-])cc2F)C[C@H](C)O1 ZINC000170616251 571268368 /nfs/dbraw/zinc/26/83/68/571268368.db2.gz NTFCFQWOXVKXOW-STQMWFEESA-N 0 0 374.416 3.542 50 10 FHCARN Cc1ccc2c(c1)C(C)(C)[C@]1(/C=C/c3ccccc3[N+](=O)[O-])NC(=O)CN21 ZINC000002209882 571284708 /nfs/dbraw/zinc/28/47/08/571284708.db2.gz QZRLTQUXHXYWEV-RQWLHQTBSA-N 0 0 363.417 3.540 50 10 FHCARN COc1ccc(N2C(=O)c3ccccc3N[C@H]2c2cccc(O)c2O)cc1 ZINC000007883828 571290441 /nfs/dbraw/zinc/29/04/41/571290441.db2.gz RQFDQCBOVZDURV-HXUWFJFHSA-N 0 0 362.385 3.878 50 10 FHCARN CC(C)C(=O)N[C@H](c1ccc(N(C)C)cc1)c1ccc2cccnc2c1O ZINC000002484231 571337331 /nfs/dbraw/zinc/33/73/31/571337331.db2.gz ZMPRXGIKEBLOJN-LJQANCHMSA-N 0 0 363.461 3.868 50 10 biogenic FHCARN CCOc1ccc(NC(=O)NC[C@@H]2CCN(c3ccc(OC)cc3)C2)cc1 ZINC000003050987 571344265 /nfs/dbraw/zinc/34/42/65/571344265.db2.gz GARDBPLLOHTLPO-INIZCTEOSA-N 0 0 369.465 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COc1ccc([C@@H](NC(C)=O)c2cc(Cl)c3cccnc3c2O)cc1 ZINC000000869261 210284824 /nfs/dbraw/zinc/28/48/24/210284824.db2.gz MTDGALZWYHDFPI-QGZVFWFLSA-N 0 0 356.809 3.828 50 10 FHCARN COc1ccc(OC)c(/C=C2/C=C(c3ccc(OC)cc3OC)OC2=O)c1 ZINC000000843823 210278559 /nfs/dbraw/zinc/27/85/59/210278559.db2.gz WFFLUCJHWOFJSQ-ZROIWOOFSA-N 0 0 368.385 3.702 50 10 FHCARN O=S(=O)(Nc1ccc(O)c(Br)c1)c1ccc(Cl)cc1 ZINC000000762987 210269751 /nfs/dbraw/zinc/26/97/51/210269751.db2.gz QKOJOSJRCLQDAW-UHFFFAOYSA-N 0 0 362.632 3.609 50 10 FHCARN CC(C)(C)C(=O)Nc1cc(=O)n(-c2c(Cl)cc(Cl)cc2Cl)[nH]1 ZINC000000777949 210268855 /nfs/dbraw/zinc/26/88/55/210268855.db2.gz YCYWROSNEOCQKO-UHFFFAOYSA-N 0 0 362.644 3.859 50 10 FHCARN CC1=C(C(=O)OCC2CCCCC2)[C@H](c2ccc(N(C)C)cc2)NC(=O)N1 ZINC000000801127 210272926 /nfs/dbraw/zinc/27/29/26/210272926.db2.gz ALXAIEQBXPEBJL-IBGZPJMESA-N 0 0 371.481 3.504 50 10 FHCARN COc1ccc(N(CCC(N)=O)Cc2nc(-c3cccs3)oc2C)cc1 ZINC000022358207 220383455 /nfs/dbraw/zinc/38/34/55/220383455.db2.gz 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S=C(/C=C1\NCCc2cc3c(cc21)OCCCO3)Nc1ccccc1 ZINC000101371405 222271740 /nfs/dbraw/zinc/27/17/40/222271740.db2.gz MIEGXLDXJMMQFI-LGMDPLHJSA-N 0 0 352.459 3.774 50 10 FHCARN CC(=O)Nc1cccc(NC=C2SC(=S)N(C3CCCC3)C2=O)c1 ZINC000101489657 222277121 /nfs/dbraw/zinc/27/71/21/222277121.db2.gz YWHCPNDWOLEYRP-XNTDXEJSSA-N 0 0 361.492 3.701 50 10 FHCARN Oc1ccc(O)c(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccncc2)c1 ZINC000102907389 222312974 /nfs/dbraw/zinc/31/29/74/222312974.db2.gz UHVOUOCHBMZACT-WIYYLYMNSA-N 0 0 359.385 3.735 50 10 FHCARN COc1ccc(N2CCN(C(=O)CC34CC5CC(CC(C5)C3)C4)CC2)cc1 ZINC000004881719 536677155 /nfs/dbraw/zinc/67/71/55/536677155.db2.gz RVYYTHCZMFTFCF-UHFFFAOYSA-N 0 0 368.521 3.950 50 10 FHCARN COc1ccc(N2CCN(C(=O)c3ccn(C(C)(C)C)c3)[C@@H](C)C2)cc1 ZINC000072433771 536688846 /nfs/dbraw/zinc/68/88/46/536688846.db2.gz GVVPUYVAZHAKMI-INIZCTEOSA-N 0 0 355.482 3.603 50 10 FHCARN CC[C@H](C)NC(=O)CSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1 ZINC000011641344 570490304 /nfs/dbraw/zinc/49/03/04/570490304.db2.gz 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211173218 /nfs/dbraw/zinc/17/32/18/211173218.db2.gz CHIGNHSKDFYBGF-JXCQQFQQSA-N 0 0 355.463 3.927 50 10 FHCARN Cc1cc(C(=O)COc2ccc(C(N)=O)cc2)c(C)n1-c1ccccc1F ZINC000014735771 211099018 /nfs/dbraw/zinc/09/90/18/211099018.db2.gz QHAVJMGBSGQDKH-UHFFFAOYSA-N 0 0 366.392 3.594 50 10 FHCARN COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)/C1=C\c1cccc(C)c1 ZINC000013879880 211064365 /nfs/dbraw/zinc/06/43/65/211064365.db2.gz UENNBTTYRUHLJL-UNOMPAQXSA-N 0 0 363.413 3.881 50 10 FHCARN Cc1ccc(/C=C2\SC(=S)N(CCC(=O)NC3CCCC3)C2=O)cc1 ZINC000013799925 211060625 /nfs/dbraw/zinc/06/06/25/211060625.db2.gz NQEAKCGNWMPIRK-VBKFSLOCSA-N 0 0 374.531 3.645 50 10 FHCARN COc1cccc(/C=C2\SC(=S)N(Nc3ccccc3)C2=O)c1OC ZINC000013689604 211050303 /nfs/dbraw/zinc/05/03/03/211050303.db2.gz LMHHUVSCIZHNHH-PTNGSMBKSA-N 0 0 372.471 3.932 50 10 FHCARN O=C(NCc1ccc(N2CCCC2)cc1)c1ccccc1Br ZINC000013668181 211045683 /nfs/dbraw/zinc/04/56/83/211045683.db2.gz WMHCZXPJVUIMMJ-UHFFFAOYSA-N 0 0 359.267 3.979 50 10 FHCARN Cc1cc(/C=C2\SC(=O)N(C)C2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000013546631 211039453 /nfs/dbraw/zinc/03/94/53/211039453.db2.gz HPCNLWCJHMOLNU-NVNXTCNLSA-N 0 0 357.391 3.668 50 10 FHCARN COCCn1c(C)cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)c1C ZINC000013124821 211024403 /nfs/dbraw/zinc/02/44/03/211024403.db2.gz YYYOVLVFXFDHMA-LICLKQGHSA-N 0 0 373.840 3.502 50 10 FHCARN COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)c2cc(C)on2)cc1 ZINC000009119203 210816538 /nfs/dbraw/zinc/81/65/38/210816538.db2.gz DZCMTBKMIJQHPL-UHFFFAOYSA-N 0 0 365.433 3.905 50 10 FHCARN COc1cc(/C=C2\SC(N3CCCCC3)=NC2=O)ccc1OC(F)F ZINC000007701145 210749474 /nfs/dbraw/zinc/74/94/74/210749474.db2.gz ZGCYRFIRUOPZQH-UVTDQMKNSA-N 0 0 368.405 3.753 50 10 FHCARN COc1ccc(C2=NN(C(=O)c3ccco3)[C@@H](c3ccccc3O)C2)cc1 ZINC000004292048 210521230 /nfs/dbraw/zinc/52/12/30/210521230.db2.gz MQCXFKBUIXUVHD-GOSISDBHSA-N 0 0 362.385 3.985 50 10 FHCARN CCOc1ccc(/C=C2\C(=O)N(Cc3ccco3)C(C)=C2C(=O)OC)cc1 ZINC000004122359 210510300 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COc1ccc2c(c1)CC[C@H]1C2=NN(C(C)=O)[C@H]1c1ccc(N(C)C)cc1 ZINC000001189456 210331456 /nfs/dbraw/zinc/33/14/56/210331456.db2.gz ABCOZFPPGDRJAT-UNMCSNQZSA-N 0 0 363.461 3.631 50 10 FHCARN COC(=O)C1=C(C)N(C(C)C)C(=O)/C1=C\c1ccc(Br)cc1 ZINC000001098367 210316936 /nfs/dbraw/zinc/31/69/36/210316936.db2.gz KMBJKBBEIJXYPN-ZROIWOOFSA-N 0 0 364.239 3.530 50 10 FHCARN CCN1c2ccccc2/C(=C2/SC(=S)N(c3ccccc3)C2=O)C1=O ZINC000001090101 210315887 /nfs/dbraw/zinc/31/58/87/210315887.db2.gz AIRCDZAHUSKZOP-NXVVXOECSA-N 0 0 366.467 3.829 50 10 FHCARN CC(C)N1C(=O)/C(=C/C=C/c2ccccc2)C(=O)N(Cc2ccco2)C1=O ZINC000000984627 210298393 /nfs/dbraw/zinc/29/83/93/210298393.db2.gz YPCSOPBFGRLJIF-PDDUZAPNSA-N 0 0 364.401 3.619 50 10 FHCARN CSc1nnc2c(n1)O[C@H](c1ccc(N(C)C)cc1)Nc1ccccc1-2 ZINC000000822515 210276340 /nfs/dbraw/zinc/27/63/40/210276340.db2.gz OQLFJXHUVQHPBU-QGZVFWFLSA-N 0 0 365.462 3.830 50 10 FHCARN Cc1cc(C(=O)COC(=O)Cc2c(C)noc2C)c(C)n1-c1ccccc1 ZINC000021493196 220358611 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571349263 /nfs/dbraw/zinc/34/92/63/571349263.db2.gz KAYGDFANXAFOFY-UHFFFAOYSA-N 0 0 367.376 3.979 50 10 FHCARN Cc1cc(C(=O)OCC(=O)NCC2CCCCC2)c(C)n1-c1ccccc1 ZINC000003460678 571350088 /nfs/dbraw/zinc/35/00/88/571350088.db2.gz QNMMMQQNBKPLAC-UHFFFAOYSA-N 0 0 368.477 3.947 50 10 FHCARN Cc1cc(C(=O)[C@@H](C)OC(=O)c2cccn2C)c(C)n1-c1ccccc1 ZINC000003491111 571350277 /nfs/dbraw/zinc/35/02/77/571350277.db2.gz PQXRHNQOSBBEHF-MRXNPFEDSA-N 0 0 350.418 3.861 50 10 FHCARN Cc1ccc(/C=C2\C(=N)N3N=C(c4ccc(C)cc4)SC3=NC2=O)cc1 ZINC000003858702 571352773 /nfs/dbraw/zinc/35/27/73/571352773.db2.gz NOUDFEPTYOOOGS-SUIAZJLOSA-N 0 0 360.442 3.971 50 10 FHCARN O=C1N=C(NC2CCCC2)SC1=Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000208141343 222630046 /nfs/dbraw/zinc/63/00/46/222630046.db2.gz BWSYOLOVNXXPBW-MDWZMJQESA-N 0 0 351.815 3.751 50 10 FHCARN COc1ccccc1[C@H](NC(=O)C(C)C)c1ccc2cccnc2c1O ZINC000000855783 219332063 /nfs/dbraw/zinc/33/20/63/219332063.db2.gz LKTAHGUJCBIECB-IBGZPJMESA-N 0 0 350.418 3.811 50 10 FHCARN C[C@@H]1CN(C2=NC(=O)/C(=C/c3c(F)cccc3Cl)S2)C[C@@H](C)O1 ZINC000000858315 219332307 /nfs/dbraw/zinc/33/23/07/219332307.db2.gz GPBCXKZKMKDYAP-UOZBKBOTSA-N 0 0 354.834 3.559 50 10 FHCARN COC(=O)C1=C(C)N(C2CCCCC2)C(=O)/C1=C\c1ccc([N+](=O)[O-])cc1 ZINC000000842971 219329643 /nfs/dbraw/zinc/32/96/43/219329643.db2.gz FMKNQNLLZHTTLK-ATVHPVEESA-N 0 0 370.405 3.600 50 10 FHCARN CN(C)c1ccc(/C=C2/SC(=S)N(c3cccc(O)c3)C2=O)cc1 ZINC000000974846 219348438 /nfs/dbraw/zinc/34/84/38/219348438.db2.gz FQHPHHOGEXYWPT-MHWRWJLKSA-N 0 0 356.472 3.864 50 10 FHCARN COc1cccc(N2C(=O)/C(=C/c3ccc(O)c(OC)c3)SC2=S)c1 ZINC000000978019 219348859 /nfs/dbraw/zinc/34/88/59/219348859.db2.gz AYBCVXLJMZDBDX-SXGWCWSVSA-N 0 0 373.455 3.815 50 10 FHCARN CCN1C(=O)/C(=C/c2ccc(N(C)C)c(Br)c2)SC1=S ZINC000001024498 219353867 /nfs/dbraw/zinc/35/38/67/219353867.db2.gz KKJYHOFSDJMWCU-WQLSENKSSA-N 0 0 371.325 3.736 50 10 FHCARN S=C(c1ccc(-c2ccc(Br)cc2)o1)N1CCOCC1 ZINC000001005520 219352764 /nfs/dbraw/zinc/35/27/64/219352764.db2.gz 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CCCCCOc1ccc(/C=C2/SC(N3CCOCC3)=NC2=O)cc1 ZINC000002293181 219435924 /nfs/dbraw/zinc/43/59/24/219435924.db2.gz SNJNABHJKYWKJC-SAPNQHFASA-N 0 0 360.479 3.558 50 10 FHCARN CCN(CC)c1ccc(/C=C2\NC(=S)N(c3ccccc3)C2=O)cc1 ZINC000002758595 219462540 /nfs/dbraw/zinc/46/25/40/219462540.db2.gz JXTAAZXKXZZPFT-JXAWBTAJSA-N 0 0 351.475 3.795 50 10 FHCARN CCN(CCO)c1ccc(N=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000254841066 222996824 /nfs/dbraw/zinc/99/68/24/222996824.db2.gz JJZVLVUELJRGGM-UHFFFAOYSA-N 0 0 359.342 3.737 50 10 FHCARN CC(=O)Nc1ccc(N2C(=O)/C(=C\c3ccc(O)cc3)SC2=S)cc1 ZINC000004470714 219575800 /nfs/dbraw/zinc/57/58/00/219575800.db2.gz AJAWPFWKJTXZJU-MHWRWJLKSA-N 0 0 370.455 3.756 50 10 FHCARN COC(=O)C1=C(C)N(c2ccccc2F)C(=O)/C1=C/c1ccc(F)cc1 ZINC000006241564 219722060 /nfs/dbraw/zinc/72/20/60/219722060.db2.gz BDYCOHMYKNGDFW-RVDMUPIBSA-N 0 0 355.340 3.842 50 10 FHCARN O=C1c2ccccc2N[C@@H](c2cc(Cl)ccc2O)N1C[C@@H]1CCCO1 ZINC000012556211 220006852 /nfs/dbraw/zinc/00/68/52/220006852.db2.gz 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ZINC000013778114 220094680 /nfs/dbraw/zinc/09/46/80/220094680.db2.gz RXRWOEBPNNQYPA-NXVVXOECSA-N 0 0 366.467 3.719 50 10 FHCARN COC(=O)C1=C(C)NC(=O)/C1=C\c1cc(C)n(-c2cc(C)ccc2C)c1C ZINC000014009251 220103022 /nfs/dbraw/zinc/10/30/22/220103022.db2.gz XBSZDLUUNOGSKF-WQRHYEAKSA-N 0 0 364.445 3.671 50 10 FHCARN Cc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc(C)cc3)C2=O)cc1 ZINC000015015242 220141242 /nfs/dbraw/zinc/14/12/42/220141242.db2.gz RSKBVVNEMATDBQ-WJDWOHSUSA-N 0 0 368.483 3.850 50 10 FHCARN Cc1[nH]c2ccccc2c1/C=C1\C(=N)N2N=C(C(C)C)SC2=NC1=O ZINC000019799201 220298017 /nfs/dbraw/zinc/29/80/17/220298017.db2.gz SQQAVIKTEUFIMR-OTXQKAJQSA-N 0 0 351.435 3.751 50 10 FHCARN N=C1/C(=C\c2ccc(SC3CCCCC3)o2)C(=O)N=C2SC=NN21 ZINC000020238646 220320575 /nfs/dbraw/zinc/32/05/75/220320575.db2.gz AFRWAFVEZGPRPI-CBYQKHDWSA-N 0 0 360.464 3.953 50 10 FHCARN COc1ccc(-c2c(C)oc3c(ccc([O-])c3C[NH+](C)C)c2=O)cc1OC ZINC000020412531 220325075 /nfs/dbraw/zinc/32/50/75/220325075.db2.gz FKFKLNLGHYSBHT-UHFFFAOYSA-N 0 0 369.417 3.553 50 10 FHCARN Cc1noc(-c2ccccc2Cl)c1C(=O)NCCc1ccc(N)cc1 ZINC000022660752 220394652 /nfs/dbraw/zinc/39/46/52/220394652.db2.gz XTJDHRSDQUCWGU-UHFFFAOYSA-N 0 0 355.825 3.858 50 10 FHCARN O=C([C@@H]1Nc2ccccc2[C@H]2C=CC[C@H]21)N1CCc2[nH]nc(C3CCC3)c2C1 ZINC000023337270 220422734 /nfs/dbraw/zinc/42/27/34/220422734.db2.gz GBFJMYKVPPZMJP-ZDPZECHZSA-N 0 0 374.488 3.716 50 10 FHCARN COc1cc(C=C2SC(NC3CCCC3)=NC2=O)cc(Cl)c1OC ZINC000023779145 220434180 /nfs/dbraw/zinc/43/41/80/220434180.db2.gz YBFQHNIESVGEDA-ZROIWOOFSA-N 0 0 366.870 3.860 50 10 FHCARN CCCCCOC(=O)CN1C(=O)/C(=C/c2cccs2)SC1=S ZINC000028464617 220576232 /nfs/dbraw/zinc/57/62/32/220576232.db2.gz JEHKSKDCHAFOTC-XFXZXTDPSA-N 0 0 355.506 3.683 50 10 FHCARN CCCCC1(C)OC(=O)C(=Cc2ccc(O)c(Br)c2)C(=O)O1 ZINC000058833948 221123752 /nfs/dbraw/zinc/12/37/52/221123752.db2.gz NUMNNYHQAWAFDE-UHFFFAOYSA-N 0 0 369.211 3.545 50 10 FHCARN CC[C@H]1Cn2c(C(=O)NCc3ccc(N(C)C)cc3)cc3cccc(c32)O1 ZINC000064816591 221152782 /nfs/dbraw/zinc/15/27/82/221152782.db2.gz RTXOLRKZARXTTH-SFHVURJKSA-N 0 0 363.461 3.808 50 10 FHCARN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cc(Cl)ccc1F ZINC000010907773 132377658 /nfs/dbraw/zinc/37/76/58/132377658.db2.gz WPCUJPSWBDXJBW-UHFFFAOYSA-N 0 0 362.832 3.588 50 10 FHCARN Cc1c(Cl)cccc1N1C(=O)/C(=C/c2cccs2)C(=O)[N-]C1=S ZINC000001126912 132380311 /nfs/dbraw/zinc/38/03/11/132380311.db2.gz XYRQEIIXJLKCTK-DHZHZOJOSA-N 0 0 362.863 3.541 50 10 FHCARN CCCC(=O)Nc1cc(N2CCn3c(nc4ccccc43)C2)ccc1OC ZINC000019855461 132893418 /nfs/dbraw/zinc/89/34/18/132893418.db2.gz OZZNULDLBWDZSX-UHFFFAOYSA-N 0 0 364.449 3.804 50 10 FHCARN CCOc1ccc(C=C2SC(NC3CCCCC3)=NC2=O)cc1OC ZINC000096669685 222127299 /nfs/dbraw/zinc/12/72/99/222127299.db2.gz CBSLEODISCJSLX-SFQUDFHCSA-N 0 0 360.479 3.987 50 10 FHCARN CCCC1=NN(c2ccc(F)cc2)C(=O)C1=CNC[C@H](O)c1ccccc1 ZINC000100111180 222235769 /nfs/dbraw/zinc/23/57/69/222235769.db2.gz BRYOBWUWNPFOLE-ZPBCLNFZSA-N 0 0 367.424 3.536 50 10 FHCARN O=C1c2ccccc2C(=O)C1[C@H](C[N+](=O)[O-])c1cccc(Br)c1 ZINC000100394183 222242534 /nfs/dbraw/zinc/24/25/34/222242534.db2.gz UMAQVJXSZRUPTN-CQSZACIVSA-N 0 0 374.190 3.505 50 10 FHCARN O=C(c1ccccc1)c1ccccc1NC=Cc1nnnn1-c1ccccc1 ZINC000100661671 222249295 /nfs/dbraw/zinc/24/92/95/222249295.db2.gz KBUHBHUBEHNWIN-NXVVXOECSA-N 0 0 367.412 3.976 50 10 FHCARN COc1ccc(N=NC(C(N)=O)=C2NC(C)(C)Cc3ccccc32)cc1 ZINC000100705986 222250392 /nfs/dbraw/zinc/25/03/92/222250392.db2.gz YMOUMBLAHTXJKV-QZOSNYCWSA-N 0 0 350.422 3.557 50 10 FHCARN O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(F)c(F)c1 ZINC000004258246 263332147 /nfs/dbraw/zinc/33/21/47/263332147.db2.gz PIJDDFNRAKZHOH-UHFFFAOYSA-N 0 0 363.319 3.993 50 10 FHCARN CCOc1ncccc1CNC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000030309389 263391257 /nfs/dbraw/zinc/39/12/57/263391257.db2.gz GQCFEYXYEMQISK-UHFFFAOYSA-N 0 0 367.424 3.957 50 10 FHCARN CCN1CCN(CC(=O)c2cc(C)n(-c3ccc(C)c(C)c3)c2C)CC1 ZINC000019902615 521677336 /nfs/dbraw/zinc/67/73/36/521677336.db2.gz PYGUKEDNWMXOBT-UHFFFAOYSA-N 0 0 353.510 3.531 50 10 FHCARN COc1ccc(N2CCN(C(=S)Nc3cccc(Cl)c3)CC2)cc1 ZINC000001144605 536693210 /nfs/dbraw/zinc/69/32/10/536693210.db2.gz KWNKWOKIEORKGB-UHFFFAOYSA-N 0 0 361.898 3.868 50 10 FHCARN CCCCN1C(=O)/C(=C2\c3ccccc3N(CCC)C2=O)SC1=S ZINC000002283958 570518210 /nfs/dbraw/zinc/51/82/10/570518210.db2.gz OZGKUOANPSMSRP-PFONDFGASA-N 0 0 360.504 3.815 50 10 FHCARN CC1=NN(c2ccccc2)C(=O)/C1=C1\C(=O)Nc2c1ccc(Cl)c2C ZINC000100147633 570524243 /nfs/dbraw/zinc/52/42/43/570524243.db2.gz XUEAEICRGOWSPD-NXVVXOECSA-N 0 0 351.793 3.777 50 10 FHCARN Cc1ccccc1N1C(=O)/C(=C2\c3ccccc3N(C)C2=O)SC1=S ZINC000002821141 570534611 /nfs/dbraw/zinc/53/46/11/570534611.db2.gz UDVVZWKWYVVSOM-NXVVXOECSA-N 0 0 366.467 3.747 50 10 FHCARN Cc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)c(C)n1-c1ccccc1F ZINC000004921802 570561312 /nfs/dbraw/zinc/56/13/12/570561312.db2.gz QWYFSWNTHZKEBZ-LQFYYXEQSA-N 0 0 364.380 3.684 50 10 FHCARN CCCSc1nnc2c(n1)OC=Nc1ccc(Br)cc1-2 ZINC000003656384 570567308 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COc1ccc(N2CCN(C(=O)c3oc4ccccc4c3C)CC2)cc1 ZINC000003350066 536690719 /nfs/dbraw/zinc/69/07/19/536690719.db2.gz WBHYFSNIOHYKKH-UHFFFAOYSA-N 0 0 350.418 3.712 50 10 FHCARN CN1C(=O)/C(=C2/SC(=S)N(c3ccccc3F)C2=O)c2ccccc21 ZINC000033330151 568493460 /nfs/dbraw/zinc/49/34/60/568493460.db2.gz XIQQKQPWEXUBGA-CCEZHUSRSA-N 0 0 370.430 3.578 50 10 FHCARN COc1cccc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)c1O ZINC000001159380 570485677 /nfs/dbraw/zinc/48/56/77/570485677.db2.gz ANTBYKLGYCDDEG-ZROIWOOFSA-N 0 0 361.419 3.946 50 10 FHCARN COc1ccc(/C=C2\C(=O)N=C3SN=C(SCC(C)C)N3C2=N)cc1 ZINC000004825884 570518302 /nfs/dbraw/zinc/51/83/02/570518302.db2.gz SBHHSJOIEWXEPL-ILZPQDLUSA-N 0 0 374.491 3.661 50 10 FHCARN O=C1NC(=S)S/C1=C/c1cccn1-c1ccc(Br)cc1 ZINC000002735759 570528844 /nfs/dbraw/zinc/52/88/44/570528844.db2.gz JQQAPUNZTKUGSM-XYOKQWHBSA-N 0 0 365.277 3.729 50 10 FHCARN O=C(CC1(c2ccccc2)C(=O)c2ccccc2C1=O)NC1CCCCC1 ZINC000003082264 570551140 /nfs/dbraw/zinc/55/11/40/570551140.db2.gz HSCODGJSFKXBFW-UHFFFAOYSA-N 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/nfs/dbraw/zinc/77/67/23/570776723.db2.gz DMRZXGVZZLWXMJ-MHWRWJLKSA-N 0 0 373.455 3.815 50 10 FHCARN CCCCSc1c(C(=O)NC)ccc2c1C(=O)c1ccccc1C2=O ZINC000004581209 570849479 /nfs/dbraw/zinc/84/94/79/570849479.db2.gz FIQRSVOUVYYZNL-UHFFFAOYSA-N 0 0 353.443 3.714 50 10 FHCARN CC(C)Oc1ccc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000010906742 570963900 /nfs/dbraw/zinc/96/39/00/570963900.db2.gz FKVLQGCUCGUAAV-UHFFFAOYSA-N 0 0 368.477 3.583 50 10 FHCARN O=C(CSc1nccn1-c1cccc(Cl)c1)c1ccc(O)c(O)c1 ZINC000026047791 571002505 /nfs/dbraw/zinc/00/25/05/571002505.db2.gz RFIXFFXFIRICNM-UHFFFAOYSA-N 0 0 360.822 3.912 50 10 FHCARN Cc1cc(C(=O)CSc2nnnn2C2CC2)c(C)n1-c1cccc(F)c1 ZINC000008343885 571041933 /nfs/dbraw/zinc/04/19/33/571041933.db2.gz IROKNFZEMCZXMK-UHFFFAOYSA-N 0 0 371.441 3.530 50 10 FHCARN CCCCNC(=O)CSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1 ZINC000008748835 571059523 /nfs/dbraw/zinc/05/95/23/571059523.db2.gz DUHBKNGKOFOQKS-QGZVFWFLSA-N 0 0 373.522 3.738 50 10 FHCARN 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